[ { "compound_id": "C00001", "inchi": "InChI=1S/H2O/h1H2", "name": "H2O", "names": [ "H2O", "H2O(1)", "Water", "h2o(1)" ] }, { "compound_id": "C00002", "inchi": "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "ATP", "names": [ "ATP", "Adenosine 5'-triphosphate", "atp-4-" ] }, { "compound_id": "C00003", "inchi": "InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1", "name": "NAD+", "names": [ "DPN", "Diphosphopyridine nucleotide", "NAD", "NAD(ox)", "NAD+", "Nadide", "Nicotinamide adenine dinucleotide", "nad(ox)" ] }, { "compound_id": "C00004", "inchi": "InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1", "name": "NADH", "names": [ "DPNH", "NAD(red)", "NADH", "Reduced nicotinamide adenine dinucleotide", "nad(red)" ] }, { "compound_id": "C00005", "inchi": "InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1", "name": "NADPH", "names": [ "NADP(red)", "NADPH", "Reduced nicotinamide adenine dinucleotide phosphate", "TPNH", "nadp(red)" ] }, { "compound_id": "C00006", "inchi": "InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1", "name": "NADP+", "names": [ "NADP", "NADP(ox)", "NADP+", "Nicotinamide adenine dinucleotide phosphate", "TPN", "Triphosphopyridine nucleotide", "beta-Nicotinamide adenine dinucleotide phosphate", "nadp(ox)" ] }, { "compound_id": "C00007", "inchi": "InChI=1S/O2/c1-2", "name": "Oxygen", "names": [ "O2", "Oxygen" ] }, { "compound_id": "C00008", "inchi": "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "ADP", "names": [ "ADP", "Adenosine 5'-diphosphate", "adp-3-" ] }, { "compound_id": "C00009", "inchi": "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)", "name": "Orthophosphate", "names": [ "Orthophospate", "Orthophosphate", "Orthophosphoric acid", "Phosphate", "Phosphoric acid", "hpo4-2-", "orthophospate" ] }, { "compound_id": "C00010", "inchi": "InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1", "name": "CoA", "names": [ "CoA", "CoA-SH", "Coenzyme A" ] }, { "compound_id": "C00011", "inchi": "InChI=1S/CO2/c2-1-3", "name": "CO2", "names": [ "CO2", "Carbon dioxide" ] }, { "compound_id": "C00012", "inchi": null, "name": "Peptide", "names": [ "Peptide" ] }, { "compound_id": "C00013", "inchi": "InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)", "name": "Diphosphate", "names": [ "Diphosphate", "Diphosphoric acid", "PPi", "Pyrophosphate", "Pyrophosphate this is an approximate result.", "Pyrophosphoric acid", "pyrophosphate this is an approximate result." ] }, { "compound_id": "C00014", "inchi": "InChI=1S/H3N/h1H3", "name": "NH3", "names": [ "Ammonia", "NH3" ] }, { "compound_id": "C00015", "inchi": "InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "UDP", "names": [ "UDP", "Uridine 5'-diphosphate" ] }, { "compound_id": "C00016", "inchi": "InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1", "name": "FAD", "names": [ "FAD", "Flavin adenine dinucleotide", "flavin-adenine dinucleotide" ] }, { "compound_id": "C00017", "inchi": null, "name": "Protein", "names": [ "Protein" ] }, { "compound_id": "C00018", "inchi": "InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)", "name": "Pyridoxal phosphate", "names": [ "PLP", "Pyridoxal 5'-phosphate", "Pyridoxal 5-phosphate", "Pyridoxal phosphate" ] }, { "compound_id": "C00019", "inchi": "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1", "name": "S-Adenosyl-L-methionine", "names": [ "AdoMet", "S-Adenosyl-L-methionine", "S-Adenosylmethionine", "SAM" ] }, { "compound_id": "C00020", "inchi": "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "AMP", "names": [ "5'-AMP", "5'-Adenosine monophosphate", "5'-Adenylic acid", "AMP", "Adenosine 5'-monophosphate", "Adenosine 5'-phosphate", "Adenylate", "Adenylic acid", "amp-2--" ] }, { "compound_id": "C00021", "inchi": "InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1", "name": "S-Adenosyl-L-homocysteine", "names": [ "S-Adenosyl-L-homocysteine", "S-Adenosylhomocysteine" ] }, { "compound_id": "C00022", "inchi": "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)", "name": "Pyruvate", "names": [ "2-Oxopropanoate", "2-Oxopropanoic acid", "Pyroracemic acid", "Pyruvate", "Pyruvate-", "Pyruvic acid", "pyruvate-" ] }, { "compound_id": "C00023", "inchi": "InChI=1S/Fe", "name": "Iron", "names": [ "Iron" ] }, { "compound_id": "C00024", "inchi": "InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18?,22-/m1/s1", "name": "Acetyl-CoA", "names": [ "Acetyl coenzyme A", "Acetyl-CoA" ] }, { "compound_id": "C00025", "inchi": "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1", "name": "L-Glutamate", "names": [ "Glutamate", "L-Glutamate", "L-Glutamic acid", "L-Glutaminic acid" ] }, { "compound_id": "C00026", "inchi": "InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)", "name": "2-Oxoglutarate", "names": [ "2-Ketoglutaric acid", "2-Oxoglutarate", "Oxoglutaric acid", "alpha-Ketoglutaric acid" ] }, { "compound_id": "C00027", "inchi": "InChI=1S/H2O2/c1-2/h1-2H", "name": "Hydrogen peroxide", "names": [ "H2O2", "Hydrogen peroxide", "Oxydol" ] }, { "compound_id": "C00028", "inchi": null, "name": "Acceptor", "names": [ "A", "Acceptor", "Hydrogen-acceptor", "Oxidized donor" ] }, { "compound_id": "C00029", "inchi": "InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1", "name": "UDP-glucose", "names": [ "UDP-D-glucose", "UDP-alpha-D-glucose", "UDP-glucose", "UDPglucose", "Uridine diphosphate glucose" ] }, { "compound_id": "C00030", "inchi": null, "name": "Reduced acceptor", "names": [ "AH2", "Donor", "Hydrogen-donor", "Reduced acceptor" ] }, { "compound_id": "C00031", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1", "name": "D-Glucose", "names": [ "D-Glucose", "Dextrose", "Glucose", "Grape sugar" ] }, { "compound_id": "C00032", "inchi": "InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;", "name": "Heme", "names": [ "Haem", "Heme", "Heme B", "Protoheme", "Protoheme IX" ] }, { "compound_id": "C00033", "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)", "name": "Acetate", "names": [ "Acetate", "Acetic acid", "Ethanoic acid", "acetate-" ] }, { "compound_id": "C00034", "inchi": "InChI=1S/Mn", "name": "Manganese", "names": [ "Manganese" ] }, { "compound_id": "C00035", "inchi": "InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1", "name": "GDP", "names": [ "GDP", "Guanosine 5'-diphosphate", "Guanosine diphosphate" ] }, { "compound_id": "C00036", "inchi": "InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)", "name": "Oxaloacetate", "names": [ "2-Oxobutanedioic acid", "Oxalacetic acid", "Oxaloacetate", "Oxaloacetic acid", "Oxosuccinic acid", "keto-Oxaloacetate" ] }, { "compound_id": "C00037", "inchi": "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)", "name": "Glycine", "names": [ "Aminoacetic acid", "Gly", "Glycine" ] }, { "compound_id": "C00038", "inchi": "InChI=1S/Zn/q+2", "name": "Zinc cation", "names": [ "Zinc cation", "Zinc ion", "Zn(II)", "Zn2+" ] }, { "compound_id": "C00039", "inchi": null, "name": "DNA", "names": [ "(Deoxyribonucleotide)m", "(Deoxyribonucleotide)n", "(Deoxyribonucleotide)n+m", "DNA", "DNAn", "DNAn+1", "Deoxyribonucleic acid" ] }, { "compound_id": "C00040", "inchi": null, "name": "Acyl-CoA", "names": [ "Acyl coenzyme A", "Acyl-CoA" ] }, { "compound_id": "C00041", "inchi": "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1", "name": "L-Alanine", "names": [ "L-2-Aminopropionic acid", "L-Alanine", "L-alpha-Alanine" ] }, { "compound_id": "C00042", "inchi": "InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)", "name": "Succinate", "names": [ "Butanedionic acid", "Ethylenesuccinic acid", "Succinate", "Succinic acid" ] }, { "compound_id": "C00043", "inchi": "InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1", "name": "UDP-N-acetyl-D-glucosamine", "names": [ "UDP-N-acetyl-D-glucosamine", "UDP-N-acetylglucosamine" ] }, { "compound_id": "C00044", "inchi": "InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1", "name": "GTP", "names": [ "GTP", "Guanosine 5'-triphosphate" ] }, { "compound_id": "C00045", "inchi": null, "name": "Amino acid", "names": [ "Amino acid", "Amino acids" ] }, { "compound_id": "C00046", "inchi": null, "name": "RNA", "names": [ "(Ribonucleotide)m", "(Ribonucleotide)n", "(Ribonucleotide)n+m", "RNA", "RNA(linear)", "RNAn", "RNAn+1", "Ribonucleic acid" ] }, { "compound_id": "C00047", "inchi": "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1", "name": "L-Lysine", "names": [ "2,6-Diaminohexanoic acid", "L-Lysine", "Lysine acid" ] }, { "compound_id": "C00048", "inchi": "InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)", "name": "Glyoxylate", "names": [ "Glyoxalate", "Glyoxylate", "Glyoxylic acid" ] }, { "compound_id": "C00049", "inchi": "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1", "name": "L-Aspartate", "names": [ "2-Aminosuccinic acid", "L-Asp", "L-Aspartate", "L-Aspartic acid" ] }, { "compound_id": "C00050", "inchi": null, "name": "Metal", "names": [ "Metal" ] }, { "compound_id": "C00051", "inchi": "InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1", "name": "Glutathione", "names": [ "5-L-Glutamyl-L-cysteinylglycine", "GSH", "Glutathione", "Glutathione (reduced)", "Glutathoine(red)", "N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine", "Reduced glutathione", "gamma-L-Glutamyl-L-cysteinyl-glycine", "glutathione (reduced)", "glutathoine(red)" ] }, { "compound_id": "C00052", "inchi": "InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13?,14-/m1/s1", "name": "UDP-D-galactose", "names": [ "UDP-D-galactopyranose", "UDP-D-galactose", "UDP-galactose", "UDPgalactose", "udpgalactose" ] }, { "compound_id": "C00053", "inchi": "InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1", "name": "3'-Phosphoadenylyl sulfate", "names": [ "3'-Phospho-5'-adenylyl sulfate", "3'-Phosphoadenosine 5'-phosphosulfate", "3'-Phosphoadenylyl sulfate", "3'-Phosphoadenylylsulfate", "3'-phosphoadenylylsulfate", "PAPS" ] }, { "compound_id": "C00054", "inchi": "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1", "name": "Adenosine 3',5'-bisphosphate", "names": [ "3'-Phosphoadenylate", "Adenosine 3',5'-bisphosphate", "PAP", "Phosphoadenosine phosphate", "adenosine 3',5'-biphosphate" ] }, { "compound_id": "C00055", "inchi": "InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "CMP", "names": [ "CMP", "Cytidine-5'-monophosphate", "Cytidylic acid" ] }, { "compound_id": "C00058", "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)", "name": "Formate", "names": [ "Formate", "Formic acid", "Methanoic acid" ] }, { "compound_id": "C00059", "inchi": "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)", "name": "Sulfate", "names": [ "Sulfate", "Sulfuric acid" ] }, { "compound_id": "C00060", "inchi": null, "name": "Carboxylate", "names": [ "Carboxylate", "Carboxylic acid", "Monocarboxylate", "R-COOH" ] }, { "compound_id": "C00061", "inchi": "InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1", "name": "FMN", "names": [ "FMN", "Flavin mononucleotide", "Riboflavin-5-phosphate", "fmn(oxidized)" ] }, { "compound_id": "C00062", "inchi": "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1", "name": "L-Arginine", "names": [ "(S)-2-Amino-5-guanidinovaleric acid", "L-Arg", "L-Arginine" ] }, { "compound_id": "C00063", "inchi": "InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "CTP", "names": [ "CTP", "Cytidine 5'-triphosphate", "Cytidine triphosphate" ] }, { "compound_id": "C00064", "inchi": "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1", "name": "L-Glutamine", "names": [ "L-2-Aminoglutaramic acid", "L-Glutamine" ] }, { "compound_id": "C00065", "inchi": "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1", "name": "L-Serine", "names": [ "L-2-Amino-3-hydroxypropionic acid", "L-3-Hydroxy-alanine", "L-Serine", "Serine" ] }, { "compound_id": "C00066", "inchi": null, "name": "tRNA", "names": [ "tRNA", "tRNA(n)", "tRNA(n+1)", "transfer RNA" ] }, { "compound_id": "C00067", "inchi": "InChI=1S/CH2O/c1-2/h1H2", "name": "Formaldehyde", "names": [ "Formaldehyde", "Formalin", "Methanal", "Methylene oxide", "Oxomethane", "Oxomethylene" ] }, { "compound_id": "C00068", "inchi": "InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1", "name": "Thiamin diphosphate", "names": [ "TPP", "ThPP", "Thiamin diphosphate", "Thiamin pyrophosphate", "Thiamine diphosphate" ] }, { "compound_id": "C00069", "inchi": null, "name": "Alcohol", "names": [ "Alcohol" ] }, { "compound_id": "C00070", "inchi": "InChI=1S/Cu", "name": "Copper", "names": [ "Copper", "Cu(II)", "Cu+", "Cu2+" ] }, { "compound_id": "C00071", "inchi": null, "name": "Aldehyde", "names": [ "Aldehyde", "RCHO" ] }, { "compound_id": "C00072", "inchi": "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1", "name": "Ascorbate", "names": [ "Ascorbate", "Ascorbic acid", "L-Ascorbate", "L-Ascorbic acid", "L-ascorbate", "Vitamin C" ] }, { "compound_id": "C00073", "inchi": "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1", "name": "L-Methionine", "names": [ "L-2-Amino-4methylthiobutyric acid", "L-Methionine", "Methionine" ] }, { "compound_id": "C00074", "inchi": "InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)", "name": "Phosphoenolpyruvate", "names": [ "PEP", "Phosphoenolpyruvate", "Phosphoenolpyruvic acid", "phosphoenolpyruvate3-" ] }, { "compound_id": "C00075", "inchi": "InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "UTP", "names": [ "UTP", "Uridine 5'-triphosphate", "Uridine triphosphate" ] }, { "compound_id": "C00076", "inchi": "InChI=1S/Ca/q+2", "name": "Calcium cation", "names": [ "Ca2+", "Calcium cation", "Calcium ion", "Calcium(2+)" ] }, { "compound_id": "C00077", "inchi": "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1", "name": "L-Ornithine", "names": [ "(S)-2,5-Diaminopentanoate", "(S)-2,5-Diaminopentanoic acid", "(S)-2,5-Diaminovaleric acid", "L-Ornithine" ] }, { "compound_id": "C00078", "inchi": "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1", "name": "L-Tryptophan", "names": [ "(S)-alpha-Amino-beta-(3-indolyl)-propionic acid", "L-Tryptophan", "Tryptophan" ] }, { "compound_id": "C00079", "inchi": "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1", "name": "L-Phenylalanine", "names": [ "(S)-alpha-Amino-beta-phenylpropionic acid", "L-Phenylalanine" ] }, { "compound_id": "C00080", "inchi": "InChI=1S/p+1", "name": "H+", "names": [ "H+", "Hydron" ] }, { "compound_id": "C00081", "inchi": "InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "ITP", "names": [ "ITP", "Inosine 5'-triphosphate", "Inosine triphosphate", "Inosine tripolyphosphate" ] }, { "compound_id": "C00082", "inchi": "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1", "name": "L-Tyrosine", "names": [ "(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid", "(S)-3-(p-Hydroxyphenyl)alanine", "L-Tyrosine", "Tyrosine" ] }, { "compound_id": "C00083", "inchi": "InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19?,23-/m1/s1", "name": "Malonyl-CoA", "names": [ "Malonyl coenzyme A", "Malonyl-CoA" ] }, { "compound_id": "C00084", "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3", "name": "Acetaldehyde", "names": [ "Acetaldehyde", "Ethanal" ] }, { "compound_id": "C00085", "inchi": "InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1", "name": "D-Fructose 6-phosphate", "names": [ "D-Fructose 6-phosphate", "D-Fructose 6-phosphoric acid", "Neuberg ester" ] }, { "compound_id": "C00086", "inchi": "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)", "name": "Urea", "names": [ "Carbamide", "Urea" ] }, { "compound_id": "C00087", "inchi": null, "name": "Sulfur", "names": [ "Elemental sulfur", "S", "Sulfur", "sulfur" ] }, { "compound_id": "C00088", "inchi": "InChI=1S/HNO2/c2-1-3/h(H,2,3)", "name": "Nitrite", "names": [ "Nitrite" ] }, { "compound_id": "C00089", "inchi": "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1", "name": "Sucrose", "names": [ "1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside", "Cane sugar", "Saccharose", "Sucrose" ] }, { "compound_id": "C00090", "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H", "name": "Catechol", "names": [ "1,2-Benzenediol", "1,2-Dihydroxybenzene", "Brenzcatechin", "Catechol", "Pyrocatechol", "o-Benzenediol" ] }, { "compound_id": "C00091", "inchi": "InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20?,24-/m1/s1", "name": "Succinyl-CoA", "names": [ "Succinyl coenzyme A", "Succinyl-CoA" ] }, { "compound_id": "C00092", "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1", "name": "D-Glucose 6-phosphate", "names": [ "D-Glucose 6-phosphate", "D-glucose 6-phosphate-2-", "Glucose 6-phosphate", "Robison ester", "d-glucose 6-phosphate-2-" ] }, { "compound_id": "C00093", "inchi": "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1", "name": "sn-Glycerol 3-phosphate", "names": [ "D-Glycerol 1-phosphate", "Glycerol-3-phosphate", "Glycerophosphoric acid", "L--glycerophosphate(aq)", "sn-Glycerol 3-phosphate" ] }, { "compound_id": "C00094", "inchi": "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)", "name": "Sulfite", "names": [ "Sulfite", "Sulfurous acid" ] }, { "compound_id": "C00095", "inchi": "InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1", "name": "D-Fructose", "names": [ "D-Fructose", "D-arabino-Hexulose", "Fruit sugar", "Levulose" ] }, { "compound_id": "C00096", "inchi": "InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1", "name": "GDP-mannose", "names": [ "GDP-D-mannose", "GDP-mannose", "GDPmannose", "gdpmannose" ] }, { "compound_id": "C00097", "inchi": "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1", "name": "L-Cysteine", "names": [ "L-2-Amino-3-mercaptopropionic acid", "L-Cysteine" ] }, { "compound_id": "C00098", "inchi": null, "name": "Oligopeptide", "names": [ "Oligopeptide" ] }, { "compound_id": "C00099", "inchi": "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)", "name": "beta-Alanine", "names": [ "3-Aminopropanoate", "3-Aminopropionic acid", "beta-Alanine" ] }, { "compound_id": "C00100", "inchi": "InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19?,23-/m1/s1", "name": "Propanoyl-CoA", "names": [ "Propanonyl-coa", "Propanoyl-CoA", "Propionyl coenzyme A", "Propionyl-CoA", "propanonyl-coa" ] }, { "compound_id": "C00101", "inchi": "InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1", "name": "Tetrahydrofolate", "names": [ "(6S)-THFA", "(6S)-Tetrahydrofolate", "(6S)-Tetrahydrofolic acid", "5,6,7,8-Tetrahydrofolate", "THF", "Tetrahydrofolate", "Tetrahydrofolic acid" ] }, { "compound_id": "C00102", "inchi": "InChI=1S/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,16H", "name": "2,6-Dichloroindophenol", "names": [ "2,6-Dichloroindophenol", "2,6-Dichlorophenolindophenol", "DCIP" ] }, { "compound_id": "C00103", "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1", "name": "D-Glucose 1-phosphate", "names": [ "Cori ester", "D-Glucose 1-phosphate", "D-Glucose alpha-1-phosphate", "Glucose 1-phosphate", "alpha-D-Glucose 1-phosphate", "glucose 1-phosphate" ] }, { "compound_id": "C00104", "inchi": "InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "IDP", "names": [ "IDP", "Inosine 5'-diphosphate", "Inosine diphosphate" ] }, { "compound_id": "C00105", "inchi": "InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "UMP", "names": [ "5'Uridylic acid", "UMP", "Uridine 5'-monophosphate", "Uridine monophosphate", "Uridylic acid" ] }, { "compound_id": "C00106", "inchi": "InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)", "name": "Uracil", "names": [ "Uracil" ] }, { "compound_id": "C00107", "inchi": null, "name": "Dipeptide", "names": [ "Dipeptide" ] }, { "compound_id": "C00108", "inchi": "InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)", "name": "Anthranilate", "names": [ "2-Aminobenzoate", "2-aminobenzoic acid", "Anthranilate", "Anthranilic acid", "Vitamin L1", "o-Aminobenzoic acid" ] }, { "compound_id": "C00109", "inchi": "InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)", "name": "2-Oxobutanoate", "names": [ "2-Ketobutyric acid", "2-Oxobutanoate", "2-Oxobutanoic acid", "2-Oxobutyrate", "2-Oxobutyric acid", "alpha-Ketobutyrate", "alpha-Ketobutyric acid" ] }, { "compound_id": "C00110", "inchi": "InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)/b22-13+,23-15+,24-17-", "name": "Dolichyl phosphate", "names": [ "Dolichol phosphate", "Dolichyl phosphate" ] }, { "compound_id": "C00111", "inchi": "InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)", "name": "Glycerone phosphate", "names": [ "Dihydroxyacetone phosphate", "Glycerone phosphate" ] }, { "compound_id": "C00112", "inchi": "InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "CDP", "names": [ "CDP", "Cytidine 5'-diphosphate", "Cytidine diphosphate" ] }, { "compound_id": "C00113", "inchi": "InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)", "name": "PQQ", "names": [ "4,5-Dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate", "Methoxatin", "PQQ", "Pyrrolo-quinoline quinone", "Pyrroloquinoline quinone", "Pyrroloquinoline-quinone" ] }, { "compound_id": "C00114", "inchi": "InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1", "name": "Choline", "names": [ "Bilineurine", "Choline" ] }, { "compound_id": "C00116", "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2", "name": "Glycerol", "names": [ "1,2,3-Propanetriol", "1,2,3-Trihydroxypropane", "Glycerin", "Glycerol" ] }, { "compound_id": "C00117", "inchi": "InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1", "name": "D-Ribose 5-phosphate", "names": [ "D-Ribose 5-phosphate", "Ribose 5-phosphate" ] }, { "compound_id": "C00118", "inchi": "InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1", "name": "D-Glyceraldehyde 3-phosphate", "names": [ "(2R)-2-Hydroxy-3-(phosphonooxy)-propanal", "D-Glyceraldehyde 3-phosphate", "Glyceraldehyde 3-phosphate", "d-glyceraldehyde-3-phosphate" ] }, { "compound_id": "C00119", "inchi": "InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1", "name": "5-Phospho-alpha-D-ribose 1-diphosphate", "names": [ "5-Phospho-alpha-D-ribose 1-diphosphate", "5-Phosphoribosyl 1-pyrophosphate", "5-Phosphoribosyl diphosphate", "5-phospho--d-ribose 1-diphosphate", "PRPP" ] }, { "compound_id": "C00120", "inchi": "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1", "name": "Biotin", "names": [ "Biotin", "Coenzyme R", "D-Biotin", "Vitamin H" ] }, { "compound_id": "C00121", "inchi": "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1", "name": "D-Ribose", "names": [ "D-Ribose" ] }, { "compound_id": "C00122", "inchi": "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+", "name": "Fumarate", "names": [ "Fumarate", "Fumaric acid", "trans-Butenedioic acid" ] }, { "compound_id": "C00123", "inchi": "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1", "name": "L-Leucine", "names": [ "(2S)-alpha-2-Amino-4-methylvaleric acid", "(2S)-alpha-Leucine", "2-Amino-4-methylvaleric acid", "L-Leucine" ] }, { "compound_id": "C00124", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1", "name": "D-Galactose", "names": [ "D-Galactose" ] }, { "compound_id": "C00125", "inchi": null, "name": "Ferricytochrome c", "names": [ "Cytochrome c3+", "Ferricytochrome c", "cytochrome c" ] }, { "compound_id": "C00126", "inchi": null, "name": "Ferrocytochrome c", "names": [ "Cytochrome c2+", "Ferrocytochrome c", "Reduced cytochrome c", "reduced cytochrome c" ] }, { "compound_id": "C00127", "inchi": "InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1", "name": "Glutathione disulfide", "names": [ "GSSG", "Glutathione disulfide", "Oxidized glutathione", "Oxiglutatione", "glutathoine(ox)" ] }, { "compound_id": "C00128", "inchi": "InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1", "name": "CMP-N-acetylneuraminate", "names": [ "CMP-N-acetylneuraminate" ] }, { "compound_id": "C00129", "inchi": "InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)", "name": "Isopentenyl diphosphate", "names": [ "Isopentenyl diphosphate", "delta3-Isopentenyl diphosphate", "delta3-Methyl-3-butenyl diphosphate" ] }, { "compound_id": "C00130", "inchi": "InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "IMP", "names": [ "5'-IMP", "5'-Inosinate", "5'-Inosine monophosphate", "5'-Inosinic acid", "IMP", "Inosine 5'-monophosphate", "Inosine 5'-phosphate", "Inosine monophosphate", "Inosinic acid" ] }, { "compound_id": "C00131", "inchi": "InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1", "name": "dATP", "names": [ "2'-Deoxyadenosine 5'-triphosphate", "Deoxyadenosine 5'-triphosphate", "Deoxyadenosine triphosphate", "dATP" ] }, { "compound_id": "C00132", "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3", "name": "Methanol", "names": [ "Methanol", "Methyl alcohol" ] }, { "compound_id": "C00133", "inchi": "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1", "name": "D-Alanine", "names": [ "D-2-Aminopropionic acid", "D-Ala", "D-Alanine" ] }, { "compound_id": "C00134", "inchi": "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2", "name": "Putrescine", "names": [ "1,4-Butanediamine", "1,4-Diaminobutane", "Butane-1,4-diamine", "Putrescine", "Tetramethylenediamine" ] }, { "compound_id": "C00135", "inchi": "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1", "name": "L-Histidine", "names": [ "(S)-alpha-Amino-1H-imidazole-4-propionic acid", "L-Histidine" ] }, { "compound_id": "C00136", "inchi": "InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20?,24-/m1/s1", "name": "Butanoyl-CoA", "names": [ "Butanoyl-CoA", "Butyryl-CoA" ] }, { "compound_id": "C00137", "inchi": "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-", "name": "myo-Inositol", "names": [ "1D-myo-Inositol", "1L-myo-Inositol", "Bios I", "Cyclohexitol", "D-myo-Inositol", "Dambose", "Inositol", "L-myo-Inositol", "Meat sugar", "meso-Inositol", "myo-Inositol" ] }, { "compound_id": "C00138", "inchi": "InChI=1S/Fe/q+2", "name": "Reduced ferredoxin", "names": [ "Ferredoxin(red)", "Reduced ferredoxin", "ferredoxin(red)" ] }, { "compound_id": "C00139", "inchi": "InChI=1S/Fe/q+3", "name": "Oxidized ferredoxin", "names": [ "Ferredoxin(ox)", "Oxidized ferredoxin", "ferredoxin(ox)" ] }, { "compound_id": "C00140", "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1", "name": "N-Acetyl-D-glucosamine", "names": [ "2-Acetamido-2-deoxy-D-glucose", "GlcNAc", "N-Acetyl-D-glucosamine", "N-Acetylchitosamine" ] }, { "compound_id": "C00141", "inchi": "InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)", "name": "3-Methyl-2-oxobutanoic acid", "names": [ "2-Keto-3-methylbutyric acid", "2-Ketoisovalerate", "2-Ketovaline", "2-Oxo-3-methylbutanoate", "2-Oxoisopentanoate", "2-Oxoisovalerate", "3-Methyl-2-oxobutanoate", "3-Methyl-2-oxobutanoic acid", "3-Methyl-2-oxobutyric acid", "alpha-Ketovaline" ] }, { "compound_id": "C00143", "inchi": "InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13?/m1/s1", "name": "5,10-Methylenetetrahydrofolate", "names": [ "(6R)-5,10-Methylenetetrahydrofolate", "5,10-Methylene-THF", "5,10-Methylenetetrahydrofolate" ] }, { "compound_id": "C00144", "inchi": "InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1", "name": "GMP", "names": [ "GMP", "Guanosine 5 '-phosphate", "Guanosine 5'-monophosphate", "Guanosine 5'-phosphate", "Guanosine monophosphate", "Guanylic acid", "guanosine 5 '-phosphate" ] }, { "compound_id": "C00145", "inchi": null, "name": "Thiol", "names": [ "Mercaptan", "Thiol" ] }, { "compound_id": "C00146", "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H", "name": "Phenol", "names": [ "Benzenol", "Hydroxybenzene", "Phenic acid", "Phenol", "Phenylic acid" ] }, { "compound_id": "C00147", "inchi": "InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)", "name": "Adenine", "names": [ "6-Aminopurine", "Adenine" ] }, { "compound_id": "C00148", "inchi": "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1", "name": "L-Proline", "names": [ "(S)-Proline", "(s)-proline", "2-Pyrrolidinecarboxylic acid", "L-Proline" ] }, { "compound_id": "C00149", "inchi": "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1", "name": "(S)-Malate", "names": [ "(S)-Malate", "L-2-Hydroxybutanedioic acid", "L-Apple acid", "L-Malate", "L-Malic acid", "Malate", "Malic acid" ] }, { "compound_id": "C00150", "inchi": "InChI=1S/Mo", "name": "Molybdenum", "names": [ "Molybdenum" ] }, { "compound_id": "C00151", "inchi": null, "name": "L-Amino acid", "names": [ "L-2-Amino acid", "L-Amino acid" ] }, { "compound_id": "C00152", "inchi": "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1", "name": "L-Asparagine", "names": [ "2-Aminosuccinamic acid", "L-Asparagine" ] }, { "compound_id": "C00153", "inchi": "InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)", "name": "Nicotinamide", "names": [ "Niacinamide", "Nicotinamide", "Nicotinic acid amide", "Vitamin PP" ] }, { "compound_id": "C00154", "inchi": "InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32?,36-/m1/s1", "name": "Palmitoyl-CoA", "names": [ "Hexadecanoyl-CoA", "Palmitoyl-CoA" ] }, { "compound_id": "C00155", "inchi": "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1", "name": "L-Homocysteine", "names": [ "L-2-Amino-4-mercaptobutyric acid", "L-Homocysteine" ] }, { "compound_id": "C00156", "inchi": "InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)", "name": "4-Hydroxybenzoate", "names": [ "4-Hydroxybenzoate", "4-Hydroxybenzoic acid", "Hydroxybenzenecarboxylic acid", "Hydroxybenzoic acid" ] }, { "compound_id": "C00157", "inchi": null, "name": "Phosphatidylcholine", "names": [ "1,2-Diacyl-sn-glycero-3-phosphocholine", "3-sn-Phosphatidylcholine", "Choline phosphatide", "Lecithin", "Phosphatidyl-N-trimethylethanolamine", "Phosphatidylcholine" ] }, { "compound_id": "C00158", "inchi": "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)", "name": "Citrate", "names": [ "2-Hydroxy-1,2,3-propanetricarboxylic acid", "2-Hydroxytricarballylic acid", "Citrate", "Citric acid" ] }, { "compound_id": "C00159", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1", "name": "D-Mannose", "names": [ "Carubinose", "D-Mannose", "Mannose", "Seminose" ] }, { "compound_id": "C00160", "inchi": "InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)", "name": "Glycolate", "names": [ "Glycolate", "Glycolic acid", "Hydroxyacetic acid" ] }, { "compound_id": "C00161", "inchi": null, "name": "2-Oxo acid", "names": [ "2-Oxo acid", "2-Oxocarboxylate" ] }, { "compound_id": "C00162", "inchi": null, "name": "Fatty acid", "names": [ "Fatty acid" ] }, { "compound_id": "C00163", "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)", "name": "Propanoate", "names": [ "Propanoate", "Propanoic acid", "Propionate", "Propionic acid" ] }, { "compound_id": "C00164", "inchi": "InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)", "name": "Acetoacetate", "names": [ "3-Oxobutanoate", "3-Oxobutanoic acid", "3-oxobutanoate", "Acetoacetate", "Acetoacetic acid", "beta-Ketobutyric acid" ] }, { "compound_id": "C00165", "inchi": null, "name": "Diacylglycerol", "names": [ "Diacylglycerol", "Diglyceride" ] }, { "compound_id": "C00166", "inchi": "InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)", "name": "Phenylpyruvate", "names": [ "3-Phenyl-2-oxopropanoate", "Phenylpyruvate", "Phenylpyruvic acid", "alpha-Ketohydrocinnamic acid", "keto-Phenylpyruvate" ] }, { "compound_id": "C00167", "inchi": "InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1", "name": "UDP-glucuronate", "names": [ "UDP-D-glucuronate", "UDP-alpha-D-glucuronate", "UDP-glucuronate", "UDPglucuronate" ] }, { "compound_id": "C00168", "inchi": "InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)", "name": "Hydroxypyruvate", "names": [ "3-Hydroxypyruvate", "3-Hydroxypyruvic acid", "Hydroxypyruvate", "Hydroxypyruvic acid" ] }, { "compound_id": "C00169", "inchi": "InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)", "name": "Carbamoyl phosphate", "names": [ "Carbamoyl phosphate" ] }, { "compound_id": "C00170", "inchi": "InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1", "name": "5'-Methylthioadenosine", "names": [ "5 '-methylthioadenosine", "5'-Deoxy-5'-(methylthio)adenosine", "5'-Methylthioadenosine", "5-Methylthioadenosine", "MTA", "Methylthioadenosine", "S-Methyl-5'-thioadenosine", "Thiomethyladenosine" ] }, { "compound_id": "C00171", "inchi": null, "name": "5'-Phosphomononucleotide", "names": [ "5'-Phosphomononucleotide" ] }, { "compound_id": "C00172", "inchi": null, "name": "3'-Phosphooligonucleotide", "names": [ "3'-Phosphooligonucleotide" ] }, { "compound_id": "C00173", "inchi": null, "name": "Acyl-[acyl-carrier protein]", "names": [ "Acyl-[acyl-carrier protein]", "Long-chain-acyl-[acyl-carrier protein]" ] }, { "compound_id": "C00174", "inchi": null, "name": "Acid", "names": [ "Acid" ] }, { "compound_id": "C00175", "inchi": "InChI=1S/Co/q+2", "name": "Cobalt ion", "names": [ "Co(II)", "Co2+", "Cobalt ion", "Cobalt(2+)" ] }, { "compound_id": "C00176", "inchi": null, "name": "Flavin", "names": [ "Flavin" ] }, { "compound_id": "C00177", "inchi": "InChI=1S/CN/c1-2/q-1", "name": "Cyanide", "names": [ "CN-", "Cyanide", "Cyano", "Prussiate" ] }, { "compound_id": "C00178", "inchi": "InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)", "name": "Thymine", "names": [ "5-Methyluracil", "Thymine" ] }, { "compound_id": "C00179", "inchi": "InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)", "name": "Agmatine", "names": [ "(4-Aminobutyl) guanidine", "Agmatine" ] }, { "compound_id": "C00180", "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)", "name": "Benzoate", "names": [ "Benzenecarboxylic acid", "Benzoate", "Benzoic acid", "Dracylic acid", "Phenylformic acid" ] }, { "compound_id": "C00181", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1", "name": "D-Xylose", "names": [ "D-Xylose", "Wood sugar" ] }, { "compound_id": "C00182", "inchi": "InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1", "name": "Glycogen", "names": [ "Glycogen" ] }, { "compound_id": "C00183", "inchi": "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1", "name": "L-Valine", "names": [ "2-Amino-3-methylbutyric acid", "L-Valine" ] }, { "compound_id": "C00184", "inchi": "InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2", "name": "Glycerone", "names": [ "1,3-Dihydroxy-2-propanone", "1,3-Dihydroxyacetone", "1,3-Dihydroxypropan-2-one", "Dihydroxyacetone", "Glycerone" ] }, { "compound_id": "C00185", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10?,11?,12?/m1/s1", "name": "Cellobiose", "names": [ "1-beta-D-Glucopyranosyl-4-D-glucopyranose", "Cellobiose" ] }, { "compound_id": "C00186", "inchi": "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1", "name": "(S)-Lactate", "names": [ "(S)-Lactate", "L-Lactate", "L-Lactic acid" ] }, { "compound_id": "C00187", "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "Cholesterol", "names": [ "Cholest-5-en-3beta-ol", "Cholesterol" ] }, { "compound_id": "C00188", "inchi": "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1", "name": "L-Threonine", "names": [ "2-Amino-3-hydroxybutyric acid", "L-Threonine" ] }, { "compound_id": "C00189", "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2", "name": "Ethanolamine", "names": [ "2-Hydroxyethylamine", "Aminoethanol", "Ethanolamine" ] }, { "compound_id": "C00190", "inchi": "InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12?,13-/m1/s1", "name": "UDP-D-xylose", "names": [ "UDP-D-xylose", "UDP-alpha-D-xylose", "UDP-xylose" ] }, { "compound_id": "C00191", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1", "name": "D-Glucuronate", "names": [ "D-Glucuronate", "Glucuronate", "Glucuronic acid" ] }, { "compound_id": "C00192", "inchi": "InChI=1S/H3NO/c1-2/h2H,1H2", "name": "Hydroxylamine", "names": [ "Hydroxylamine" ] }, { "compound_id": "C00193", "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H", "name": "Aromatic aldehyde", "names": [ "Aromatic aldehyde" ] }, { "compound_id": "C00194", "inchi": "InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1", "name": "Cobamide coenzyme", "names": [ "(5'-Deoxy-5'-adenosyl)cobamide coenzyme", "(5,6-Dimethylbenzimidazolyl)cobamide coenzyme", "5'-Deoxy-5'-adenosyl vitamin B12", "5'-Deoxy-5'-adenosyl-5,6-dimethylbenzimidazolylcobamide", "5'-Deoxy-5'-adenosylcobalamin", "5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide", "5,6-Dimethylbenzimidazolyl-Co-5'-deoxy-5'-adenosylcobamide", "Adenosylcob(III)alamin", "Adenosylcobalamin", "Calomide", "Cobalamin coenzyme", "Cobamamide", "Cobamide coenzyme", "Coenzyme B12", "DMBC coenzyme", "Deoxyadenosylcobalamin", "Dibencozide", "Funacomide", "Vitamin B12 coenzyme", "alpha-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme" ] }, { "compound_id": "C00195", "inchi": null, "name": "N-Acylsphingosine", "names": [ "Ceramide", "N-Acylsphingosine" ] }, { "compound_id": "C00196", "inchi": "InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)", "name": "2,3-Dihydroxybenzoate", "names": [ "2,3-Dihydroxybenzoate", "2,3-Dihydroxybenzoic acid" ] }, { "compound_id": "C00197", "inchi": "InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1", "name": "3-Phospho-D-glycerate", "names": [ "(r)-3-Phosphoglycerate", "(r)-3-phosphoglycerate", "3-Phospho-(R)-glycerate", "3-Phospho-D-glycerate", "3-Phosphoglycerate", "D-Glycerate 3-phosphate" ] }, { "compound_id": "C00198", "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1", "name": "D-Glucono-1,5-lactone", "names": [ "1,5-Gluconolactone", "D-Glucono-1,5-lactone", "D-Gluconolactone", "Gluconic acid lactone", "Gluconic lactone", "Gluconolactone", "delta-Gluconolactone" ] }, { "compound_id": "C00199", "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1", "name": "D-Ribulose 5-phosphate", "names": [ "D-Ribulose 5-phosphate" ] }, { "compound_id": "C00200", "inchi": "InChI=1S/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1", "name": "Phenazine methosulfate", "names": [ "5-Methylphenazinium methyl sulphate", "N-Methylphenazonium methosulfate", "Phenazine methosulfate" ] }, { "compound_id": "C00201", "inchi": null, "name": "Nucleoside triphosphate", "names": [ "NTP", "Nucleoside triphosphate" ] }, { "compound_id": "C00202", "inchi": "InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3", "name": "Isoflurophate", "names": [ "DFP", "Diisopropyl fluorophosphate", "Isoflurophate" ] }, { "compound_id": "C00203", "inchi": "InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15?,16-/m1/s1", "name": "UDP-N-acetyl-D-galactosamine", "names": [ "UDP-N-acetyl-D-galactosamine" ] }, { "compound_id": "C00204", "inchi": "InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1", "name": "2-Dehydro-3-deoxy-D-gluconate", "names": [ "2-Dehydro-3-deoxy-D-gluconate", "2-Keto-3-deoxy-D-gluconate", "2-oxo-3-deoxy-d-gluconate" ] }, { "compound_id": "C00205", "inchi": null, "name": "hn", "names": [ "Light", "Photon", "hn", "hnu" ] }, { "compound_id": "C00206", "inchi": "InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1", "name": "dADP", "names": [ "2'-Deoxyadenosine 5'-diphosphate", "dADP", "dadp" ] }, { "compound_id": "C00207", "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3", "name": "Acetone", "names": [ "2-Propanone", "Acetone", "Dimethyl ketone" ] }, { "compound_id": "C00208", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1", "name": "Maltose", "names": [ "Malt sugar", "Maltose", "alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose" ] }, { "compound_id": "C00209", "inchi": "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)", "name": "Oxalate", "names": [ "Ethanedioic acid", "Oxalate", "Oxalic acid" ] }, { "compound_id": "C00210", "inchi": "InChI=1S/C53H82N11O15P.Co/c1-24(78-80(75,76)79-44-32(23-65)77-48(74)43(44)73)22-60-40(72)16-17-50(6)30(18-37(57)69)47-53(9)52(8,21-39(59)71)29(12-15-36(56)68)42(64-53)26(3)46-51(7,20-38(58)70)27(10-13-34(54)66)31(61-46)19-33-49(4,5)28(11-14-35(55)67)41(62-33)25(2)45(50)63-47;/h19,24,27-30,32,43-44,47-48,65,73-74H,10-18,20-23H2,1-9H3,(H15,54,55,56,57,58,59,60,61,62,63,64,66,67,68,69,70,71,72,75,76);/q;+3/p-2/t24-,27-,28-,29-,30+,32-,43-,44-,47?,48+,50-,51+,52+,53+;/m1./s1", "name": "Cobamide", "names": [ "Cobamide" ] }, { "compound_id": "C00211", "inchi": null, "name": "Collagen", "names": [ "Collagen" ] }, { "compound_id": "C00212", "inchi": "InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1", "name": "Adenosine", "names": [ "Adenosine" ] }, { "compound_id": "C00213", "inchi": "InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)", "name": "Sarcosine", "names": [ "N-Methylglycine", "Sarcosine" ] }, { "compound_id": "C00214", "inchi": "InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1", "name": "Thymidine", "names": [ "Deoxythymidine", "Thymidine" ] }, { "compound_id": "C00215", "inchi": null, "name": "Nucleotide", "names": [ "Nucleotide" ] }, { "compound_id": "C00216", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m1/s1", "name": "D-Arabinose", "names": [ "D-Arabinose" ] }, { "compound_id": "C00217", "inchi": "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1", "name": "D-Glutamate", "names": [ "D-2-Aminoglutaric acid", "D-Glutamate", "D-Glutamic acid", "D-Glutaminic acid" ] }, { "compound_id": "C00218", "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3", "name": "Methylamine", "names": [ "Methanamine", "Methylamine" ] }, { "compound_id": "C00219", "inchi": "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-", "name": "(5Z,8Z,11Z,14Z)-Icosatetraenoic acid", "names": [ "(5Z,8Z,11Z,14Z)-Icosatetraenoic acid", "Arachidonate", "Arachidonic acid", "cis-5,8,11,14-Eicosatetraenoic acid" ] }, { "compound_id": "C00220", "inchi": "InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1", "name": "Methylene blue", "names": [ "Methylene blue", "Methylthioninium chloride" ] }, { "compound_id": "C00221", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1", "name": "beta-D-Glucose", "names": [ "beta-D-Glucose" ] }, { "compound_id": "C00222", "inchi": "InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)", "name": "3-Oxopropanoate", "names": [ "3-Oxopropanoate", "Malonate semialdehyde" ] }, { "compound_id": "C00223", "inchi": "InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/b8-5+/t19-,23-,24-,25?,29-/m1/s1", "name": "p-Coumaroyl-CoA", "names": [ "4-Coumaroyl-CoA", "4-Hydroxycinnamoyl-CoA", "p-Coumaroyl-CoA" ] }, { "compound_id": "C00224", "inchi": "InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1", "name": "Adenylyl sulfate", "names": [ "5'-Adenylyl sulfate", "APS", "Adenosine 5'-phosphosulfate", "Adenylyl sulfate", "adenylylsulfate" ] }, { "compound_id": "C00225", "inchi": "InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2", "name": "oxidized Methyl viologen", "names": [ "oxidized Methyl viologen" ] }, { "compound_id": "C00226", "inchi": null, "name": "Primary alcohol", "names": [ "1-Alcohol", "Primary alcohol" ] }, { "compound_id": "C00227", "inchi": "InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)", "name": "Acetyl phosphate", "names": [ "Acetyl phosphate", "acetyl phosphate-2-" ] }, { "compound_id": "C00229", "inchi": null, "name": "Acyl-carrier protein", "names": [ "ACP", "Acyl-carrier protein", "Holo-[acyl-carrier protein]", "[Acyl-carrier protein]" ] }, { "compound_id": "C00230", "inchi": "InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)", "name": "3,4-Dihydroxybenzoate", "names": [ "3,4-Dihydroxybenzoate", "3,4-Dihydroxybenzoic acid", "Protocatechuate", "Protocatechuic acid" ] }, { "compound_id": "C00231", "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1", "name": "D-Xylulose 5-phosphate", "names": [ "D-Xylulose 5-phosphate" ] }, { "compound_id": "C00232", "inchi": "InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)", "name": "Succinate semialdehyde", "names": [ "4-Oxobutanoate", "Succinate semialdehyde", "Succinic semialdehyde" ] }, { "compound_id": "C00233", "inchi": "InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)", "name": "4-Methyl-2-oxopentanoate", "names": [ "2-Oxoisocaproate", "4-Methyl-2-oxopentanoate", "4-methyl-2-oxopentanooate" ] }, { "compound_id": "C00234", "inchi": "InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t11?,13-/m0/s1", "name": "10-Formyltetrahydrofolate", "names": [ "10-Formyl-THF", "10-Formyltetrahydrofolate" ] }, { "compound_id": "C00235", "inchi": "InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)", "name": "Dimethylallyl diphosphate", "names": [ "2-Isopentenyl diphosphate", "DMAPP", "Dimethylallyl diphosphate", "Dimethylallyl pyrophosphate", "Monoprenyl diphosphate", "Prenyl diphosphate", "delta2-Isopentenyl diphosphate" ] }, { "compound_id": "C00236", "inchi": "InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1", "name": "3-Phospho-D-glyceroyl phosphate", "names": [ "(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid", "1,3-Bisphospho-D-glycerate", "3-Phospho-D-glyceroyl phosphate" ] }, { "compound_id": "C00237", "inchi": "InChI=1S/CO/c1-2", "name": "CO", "names": [ "CO", "Carbon monoxide" ] }, { "compound_id": "C00238", "inchi": "InChI=1S/K/q+1", "name": "Potassium cation", "names": [ "K+", "Potassium cation", "Potassium ion", "Potassium(1+)" ] }, { "compound_id": "C00239", "inchi": "InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", "name": "dCMP", "names": [ "2'-Deoxycytidine 5'-monophosphate", "Deoxycytidine monophosphate", "Deoxycytidylate", "Deoxycytidylic acid", "dCMP" ] }, { "compound_id": "C00240", "inchi": null, "name": "rRNA", "names": [ "Ribosomal RNA", "rRNA" ] }, { "compound_id": "C00241", "inchi": null, "name": "Amide", "names": [ "Amide" ] }, { "compound_id": "C00242", "inchi": "InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)", "name": "Guanine", "names": [ "2-Amino-6-hydroxypurine", "Guanine" ] }, { "compound_id": "C00243", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10?,11?,12?/m1/s1", "name": "Lactose", "names": [ "1-beta-D-Galactopyranosyl-4-D-glucopyranose", "Lactose", "Milk sugar", "beta-D-Gal-(1->4)-D-Glc" ] }, { "compound_id": "C00244", "inchi": "InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)", "name": "Nitrate", "names": [ "Nitrate", "Nitric acid" ] }, { "compound_id": "C00245", "inchi": "InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)", "name": "Taurine", "names": [ "2-Aminoethanesulfonic acid", "Aminoethylsulfonic acid", "Taurine" ] }, { "compound_id": "C00246", "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)", "name": "Butanoic acid", "names": [ "Butanoate", "Butanoic acid", "Butyrate", "Butyric acid" ] }, { "compound_id": "C00247", "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m0/s1", "name": "L-Sorbose", "names": [ "L-Sorbose", "L-xylo-Hexulose" ] }, { "compound_id": "C00248", "inchi": "InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)", "name": "Lipoamide", "names": [ "Lipoamide", "Thioctic acid amide" ] }, { "compound_id": "C00249", "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)", "name": "Hexadecanoic acid", "names": [ "Cetylic acid", "Hexadecanoate", "Hexadecanoic acid", "Hexadecylic acid", "Palmitate", "Palmitic acid" ] }, { "compound_id": "C00250", "inchi": "InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3", "name": "Pyridoxal", "names": [ "Pyridoxal" ] }, { "compound_id": "C00251", "inchi": "InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1", "name": "Chorismate", "names": [ "Chorismate", "Chorismic acid" ] }, { "compound_id": "C00252", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1", "name": "Isomaltose", "names": [ "Brachiose", "Isomaltose" ] }, { "compound_id": "C00253", "inchi": "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)", "name": "Nicotinate", "names": [ "3-Pyridinecarboxylic acid", "Niacin", "Nicotinate", "Nicotinic acid" ] }, { "compound_id": "C00254", "inchi": "InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+", "name": "Prephenate", "names": [ "Prephenate", "Prephenic acid" ] }, { "compound_id": "C00255", "inchi": "InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1", "name": "Riboflavin", "names": [ "7,8-Dimethyl-10-ribitylisoalloxazine", "Lactoflavin", "Riboflavin", "Vitamin B2" ] }, { "compound_id": "C00256", "inchi": "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1", "name": "(R)-Lactate", "names": [ "(R)-Lactate", "D-2-Hydroxypropanoic acid", "D-2-Hydroxypropionic acid", "D-Lactate", "D-Lactic acid" ] }, { "compound_id": "C00257", "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1", "name": "D-Gluconic acid", "names": [ "D-Gluconate", "D-Gluconic acid", "D-gluco-Hexonic acid" ] }, { "compound_id": "C00258", "inchi": "InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1", "name": "D-Glycerate", "names": [ "(R)-Glycerate", "D-Glycerate", "Glycerate", "Glyceric acid" ] }, { "compound_id": "C00259", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1", "name": "L-Arabinose", "names": [ "L-Arabinopyranose", "L-Arabinose" ] }, { "compound_id": "C00261", "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H", "name": "Benzaldehyde", "names": [ "Benzaldehyde", "Benzoic aldehyde" ] }, { "compound_id": "C00262", "inchi": "InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)", "name": "Hypoxanthine", "names": [ "Hypoxanthine", "Purine-6-ol" ] }, { "compound_id": "C00263", "inchi": "InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1", "name": "L-Homoserine", "names": [ "2-Amino-4-hydroxybutyric acid", "L-Homoserine" ] }, { "compound_id": "C00264", "inchi": null, "name": "3-Oxoacyl-CoA", "names": [ "3-Oxoacyl-CoA" ] }, { "compound_id": "C00265", "inchi": "InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1", "name": "Dithiothreitol", "names": [ "1,4-Dithiothreitol", "DL-threo-1,4-Dimercapto-2,3-butanediol", "Dithiothreitol", "threo-1,4-Dimercapto-2,3-butanediol" ] }, { "compound_id": "C00266", "inchi": "InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2", "name": "Glycolaldehyde", "names": [ "Glycolaldehyde", "Hydroxyacetaldehyde" ] }, { "compound_id": "C00267", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1", "name": "alpha-D-Glucose", "names": [ "alpha-D-Glucose" ] }, { "compound_id": "C00268", "inchi": "InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1", "name": "Dihydrobiopterin", "names": [ "(6R)-6-(L-erythro-1,2-Dihydroxypropyl)-7,8-dihydro-6H-pterin", "6,7-Dihydrobiopterin", "Dihydrobiopterin", "Quinoid-dihydrobiopterin" ] }, { "compound_id": "C00269", "inchi": null, "name": "CDP-diacylglycerol", "names": [ "1,2-Diacyl-sn-glycero-3-cytidine-5'-diphosphate", "CDP-1,2-diacylglycerol", "CDP-diacylglycerol" ] }, { "compound_id": "C00270", "inchi": "InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6?,7+,8-,9+,11?/m0/s1", "name": "N-Acetylneuraminate", "names": [ "5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid", "N-Acetylneuraminate", "N-Acetylneuraminic acid", "Neu5Ac" ] }, { "compound_id": "C00272", "inchi": "InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1", "name": "Tetrahydrobiopterin", "names": [ "2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydoro-4(1H)-pteridinone", "5,6,7,8-Tetrahydrobiopterin", "Tetrahydrobiopterin" ] }, { "compound_id": "C00273", "inchi": "InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h5-8,11-12H,1-2H2", "name": "5-Dehydro-D-fructose", "names": [ "5-Dehydro-D-fructose" ] }, { "compound_id": "C00275", "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1", "name": "D-Mannose 6-phosphate", "names": [ "D-Mannose 6-phosphate" ] }, { "compound_id": "C00279", "inchi": "InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1", "name": "D-Erythrose 4-phosphate", "names": [ "D-Erythrose 4-phosphate", "d-erythrose 4-phospahte" ] }, { "compound_id": "C00280", "inchi": "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1", "name": "Androstenedione", "names": [ "4-Androstene-3,17-dione", "Androst-4-ene-3,17-dione", "Androstenedione" ] }, { "compound_id": "C00281", "inchi": "InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1", "name": "sedoheptulose 7-phosphate", "names": [ "sedoheptulose 7-phosphate" ] }, { "compound_id": "C00282", "inchi": "InChI=1S/H2/h1H", "name": "Hydrogen", "names": [ "H2", "Hydrogen" ] }, { "compound_id": "C00283", "inchi": "InChI=1S/H2S/h1H2", "name": "Hydrogen sulfide", "names": [ "H2S", "Hydrogen sulfide", "Hydrogen-sulfide", "Sulfide", "hydrogen sulfide" ] }, { "compound_id": "C00284", "inchi": "InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)", "name": "EDTA", "names": [ "EDTA", "Edetic acid", "Ethylenediaminetetraacetic acid" ] }, { "compound_id": "C00286", "inchi": "InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1", "name": "dGTP", "names": [ "2'-Deoxyguanosine 5'-triphosphate", "Deoxyguanosine 5'-triphosphate", "Deoxyguanosine triphosphate", "dGTP" ] }, { "compound_id": "C00287", "inchi": null, "name": "Ester", "names": [ "Ester" ] }, { "compound_id": "C00288", "inchi": "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1", "name": "CO2(total)", "names": [ "CO2(total)" ] }, { "compound_id": "C00290", "inchi": "InChI=1S/C5H11N3O2/c1-7-5(10)3-8-4(9)2-6/h2-3,6H2,1H3,(H,7,10)(H,8,9)", "name": "Fibrin", "names": [ "Fibrin" ] }, { "compound_id": "C00291", "inchi": "InChI=1S/Ni", "name": "Nickel", "names": [ "Nickel" ] }, { "compound_id": "C00292", "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2", "name": "Aniline", "names": [ "Aniline", "Arylamine", "Benzenamine", "Phenylamine" ] }, { "compound_id": "C00294", "inchi": "InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1", "name": "Inosine", "names": [ "Inosine" ] }, { "compound_id": "C00295", "inchi": "InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)", "name": "Orotate", "names": [ "Orotate", "Orotic acid", "Uracil-6-carboxylic acid" ] }, { "compound_id": "C00296", "inchi": "InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1", "name": "Quinate", "names": [ "(-)-Quinic acid", "Chinic acid", "Kinic acid", "L-Quinate", "L-Quinic acid", "Quinate", "Quinic acid" ] }, { "compound_id": "C00297", "inchi": null, "name": "Sulfide", "names": [ "Sulfide", "Thioether" ] }, { "compound_id": "C00298", "inchi": null, "name": "Trypsin", "names": [ "Trypsin", "Trypsin crystallized" ] }, { "compound_id": "C00299", "inchi": "InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1", "name": "Uridine", "names": [ "Uridine" ] }, { "compound_id": "C00300", "inchi": "InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)", "name": "Creatine", "names": [ "Creatine", "Methylglycocyamine", "alpha-Methylguanidino acetic acid" ] }, { "compound_id": "C00301", "inchi": "InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", "name": "ADP-ribose", "names": [ "ADP-D-ribose", "ADP-ribose", "Adenosine diphosphate ribose" ] }, { "compound_id": "C00302", "inchi": "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)", "name": "DL-Glutamate", "names": [ "2-Aminoglutaric acid", "DL-Glutamate", "DL-Glutaminic acid", "Glutamate", "Glutamic acid" ] }, { "compound_id": "C00303", "inchi": "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)", "name": "Glutamine", "names": [ "2-Aminoglutaramic acid", "Glutamine" ] }, { "compound_id": "C00304", "inchi": null, "name": "Kanamycin", "names": [ "Kanamycin" ] }, { "compound_id": "C00305", "inchi": "InChI=1S/Mg/q+2", "name": "Magnesium cation", "names": [ "Magnesium cation", "Magnesium ion", "Magnesium(2+)", "Mg2+" ] }, { "compound_id": "C00306", "inchi": "InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1", "name": "Bradykinin", "names": [ "Bradykinin" ] }, { "compound_id": "C00307", "inchi": "InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1", "name": "CDP-choline", "names": [ "CDP-choline", "Citicoline", "Cytidine 5'-diphosphocholine", "cdpcholine" ] }, { "compound_id": "C00308", "inchi": "InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1", "name": "Canavanine", "names": [ "2-Amino-4-(guanidinooxy)butyric acid", "Canavanine", "L-Canavanine" ] }, { "compound_id": "C00309", "inchi": "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5?/m1/s1", "name": "D-Ribulose", "names": [ "D-Arabinoketose", "D-Arabinulose", "D-Riboketose", "D-Ribulose", "D-erythro-2-Pentulose" ] }, { "compound_id": "C00310", "inchi": "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1", "name": "D-Xylulose", "names": [ "D-Lyxulose", "D-Xylulose", "D-threo-Pentulose" ] }, { "compound_id": "C00311", "inchi": "InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)", "name": "Isocitrate", "names": [ "1-Hydroxypropane-1,2,3-tricarboxylic acid", "1-Hydroxytricarballylic acid", "Isocitrate", "Isocitric acid" ] }, { "compound_id": "C00312", "inchi": "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m0/s1", "name": "L-Xylulose", "names": [ "L-Lyxulose", "L-Xylulose", "L-threo-Pentulose" ] }, { "compound_id": "C00313", "inchi": "InChI=1S/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/t11-,14-,15-,16?,20-/m1/s1", "name": "Oxalyl-CoA", "names": [ "Oxalyl-CoA" ] }, { "compound_id": "C00314", "inchi": "InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3", "name": "Pyridoxine", "names": [ "Pyridoxine", "Pyridoxol" ] }, { "compound_id": "C00315", "inchi": "InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2", "name": "Spermidine", "names": [ "N-(3-Aminopropyl)-1,4-butane-diamine", "Spermidine" ] }, { "compound_id": "C00317", "inchi": "InChI=1S/C30H52O26/c31-1-6-11(35)13(37)19(43)28(50-6)55-24-9(4-34)52-27(21(45)16(24)40)48-5-10-25(56-29-20(44)14(38)12(36)7(2-32)51-29)17(41)22(46)30(53-10)54-23-8(3-33)49-26(47)18(42)15(23)39/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-/m1/s1", "name": "Amylopectin", "names": [ "Amylopectin" ] }, { "compound_id": "C00318", "inchi": "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1", "name": "L-Carnitine", "names": [ "(R)-Carnitine", "3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt", "L-Carnitine", "L-gamma-Trimethyl-beta-hydroxybutyrobetaine", "Levocarnitine", "Vitamin BT" ] }, { "compound_id": "C00319", "inchi": "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1", "name": "Sphingosine", "names": [ "Sphing-4-enine", "Sphingenine", "Sphingoid", "Sphingosine" ] }, { "compound_id": "C00320", "inchi": "InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-1", "name": "Thiosulfate", "names": [ "Hyposulfite", "Thiosulfate" ] }, { "compound_id": "C00322", "inchi": "InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)", "name": "2-Oxoadipate", "names": [ "2-Oxoadipate", "2-Oxoadipic acid" ] }, { "compound_id": "C00323", "inchi": "InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/b6-4+/t19-,23-,24-,25?,29-/m1/s1", "name": "Caffeoyl-CoA", "names": [ "Caffeoyl-CoA" ] }, { "compound_id": "C00324", "inchi": "InChI=1S/6CN.Fe/c6*1-2;/q;;;;;;-3", "name": "Ferricyanide", "names": [ "Ferricyanide", "Hexacyanoferrate(III)" ] }, { "compound_id": "C00325", "inchi": "InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1", "name": "GDP-L-fucose", "names": [ "GDP-L-fucose", "GDP-beta-L-fucose" ] }, { "compound_id": "C00326", "inchi": null, "name": "Glycoprotein", "names": [ "Glycoprotein" ] }, { "compound_id": "C00327", "inchi": "InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1", "name": "L-Citrulline", "names": [ "2-Amino-5-ureidovaleric acid", "Citrulline", "L-Citrulline" ] }, { "compound_id": "C00328", "inchi": "InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1", "name": "L-Kynurenine", "names": [ "3-Anthraniloyl-L-alanine", "L-Kynurenine" ] }, { "compound_id": "C00329", "inchi": "InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1", "name": "D-Glucosamine", "names": [ "2-Amino-2-deoxy-D-glucose", "Chitosamine", "D-Glucosamine" ] }, { "compound_id": "C00330", "inchi": "InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1", "name": "Deoxyguanosine", "names": [ "2'-Deoxyguanosine", "Deoxyguanosine" ] }, { "compound_id": "C00331", "inchi": "InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)", "name": "Indolepyruvate", "names": [ "(Indol-3-yl)pyruvate", "3-(Indol-3-yl)pyruvate", "Indole-3-pyruvate", "Indolepyruvate", "Indolepyruvic acid" ] }, { "compound_id": "C00332", "inchi": "InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1", "name": "Acetoacetyl-CoA", "names": [ "3-Acetoacetyl-CoA", "3-Oxobutanoyl-coa", "3-oxobutanoyl-coa", "Acetoacetyl coenzyme A", "Acetoacetyl-CoA" ] }, { "compound_id": "C00333", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6?/m0/s1", "name": "D-Galacturonate", "names": [ "D-Galacturonate", "D-Galacturonic acid" ] }, { "compound_id": "C00334", "inchi": "InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)", "name": "4-Aminobutanoate", "names": [ "4-Aminobutanoate", "4-Aminobutanoic acid", "4-Aminobutyrate", "4-Aminobutyric acid", "GABA", "gamma-Aminobutyric acid" ] }, { "compound_id": "C00337", "inchi": "InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1", "name": "(S)-Dihydroorotate", "names": [ "(S)-4,5-Dihydroorotate", "(S)-Dihydroorotate", "Dihydro-L-orotic acid", "L-Dihydroorotate", "L-Dihydroorotic acid" ] }, { "compound_id": "C00338", "inchi": null, "name": "Lipopolysaccharide", "names": [ "LPS", "Lipopolysaccharide" ] }, { "compound_id": "C00339", "inchi": null, "name": "Long-chain alcohol", "names": [ "Long-chain alcohol" ] }, { "compound_id": "C00340", "inchi": null, "name": "Reduced rubredoxin", "names": [ "Reduced rubredoxin" ] }, { "compound_id": "C00341", "inchi": "InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+", "name": "Geranyl diphosphate", "names": [ "Geranyl diphosphate" ] }, { "compound_id": "C00342", "inchi": "InChI=1S/C10H18N4O4S2/c11-7(5-20)10(18)13-1-8(16)12-2-9(17)14-6(3-15)4-19/h3,6-7,19-20H,1-2,4-5,11H2,(H,12,16)(H,13,18)(H,14,17)", "name": "reduced thioredoxin", "names": [ "reduced thioredoxin" ] }, { "compound_id": "C00343", "inchi": "InChI=1S/C10H16N4O4S2/c11-7-5-20-19-4-6(3-15)14-9(17)2-12-8(16)1-13-10(7)18/h3,6-7H,1-2,4-5,11H2,(H,12,16)(H,13,18)(H,14,17)", "name": "oxidized thioredoxin", "names": [ "oxidized thioredoxin" ] }, { "compound_id": "C00344", "inchi": null, "name": "Phosphatidylglycerol", "names": [ "3(3-Phosphatidyl-)glycerol", "3-(3-sn-Phosphatidyl)glycerol", "Phosphatidylglycerol", "PtdGro" ] }, { "compound_id": "C00345", "inchi": "InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1", "name": "6-Phospho-D-gluconate", "names": [ "6-Phospho-D-gluconate" ] }, { "compound_id": "C00346", "inchi": "InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)", "name": "Ethanolamine phosphate", "names": [ "Ethanolamine phosphate", "O-Phosphoethanolamine", "O-Phosphorylethanolamine", "Phosphoethanolamine" ] }, { "compound_id": "C00347", "inchi": null, "name": "Long-chain carboxylate", "names": [ "Long-chain carboxylate", "Long-chain carboxylic acid" ] }, { "compound_id": "C00348", "inchi": "InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+", "name": "all-trans-Undecaprenyl phosphate", "names": [ "all-trans-Undecaprenyl phosphate" ] }, { "compound_id": "C00349", "inchi": "InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)", "name": "2-Methyl-3-oxopropanoate", "names": [ "2-Methyl-3-oxopropanoate", "3-Oxo-2-methylpropanoate", "Methylmalonate semialdehyde" ] }, { "compound_id": "C00350", "inchi": null, "name": "Phosphatidylethanolamine", "names": [ "(3-Phosphatidyl)-ethanolamine", "(3-Phosphatidyl)ethanolamine", "1-Acyl-2-acyl-sn-glycero-3-phosphoethanolamine", "Cephalin", "L-1-Phosphatidylethanolamine", "O-(1-beta-Acyl-2-acyl-sn-glycero-3-phospho)ethanolamine", "Phosphatidylethanolamine" ] }, { "compound_id": "C00351", "inchi": null, "name": "5'-Phosphooligonucleotide", "names": [ "5'-Phosphooligonucleotide" ] }, { "compound_id": "C00352", "inchi": "InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1", "name": "D-Glucosamine 6-phosphate", "names": [ "6-amino-D-glucose 6-phosphate", "6-amino-d-glucose 6-phosphate", "D-Glucosamine 6-phosphate", "D-Glucosamine phosphate" ] }, { "compound_id": "C00353", "inchi": "InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+", "name": "Geranylgeranyl diphosphate", "names": [ "Geranylgeranyl diphosphate", "Geranylgeranyl pyrophosphate", "all-trans-Geranylgeranyl diphosphate", "all-trans-Geranylgeranyl pyrophosphate" ] }, { "compound_id": "C00354", "inchi": "InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6?/m1/s1", "name": "D-Fructose 1,6-bisphosphate", "names": [ "D-Fructose 1,6-bisphosphate" ] }, { "compound_id": "C00355", "inchi": "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1", "name": "3,4-Dihydroxy-L-phenylalanine", "names": [ "3,4-Dihydroxy-L-phenylalanine", "3-Hydroxy-L-tyrosine", "Dihydroxy-L-phenylalanine", "L-Dopa", "L-beta-(3,4-Dihydroxyphenyl)alanine", "Levodopa" ] }, { "compound_id": "C00356", "inchi": "InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21?,25-,27+/m1/s1", "name": "(S)-3-Hydroxy-3-methylglutaryl-CoA", "names": [ "(S)-3-Hydroxy-3-methylglutaryl-CoA", "3-Hydroxy-3-methylglutaryl-CoA", "HMG-CoA", "Hydroxymethylglutaroyl coenzyme A", "Hydroxymethylglutaryl-CoA" ] }, { "compound_id": "C00357", "inchi": "InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1", "name": "N-Acetyl-D-glucosamine 6-phosphate", "names": [ "N-Acetyl-D-glucosamine 6-phosphate" ] }, { "compound_id": "C00360", "inchi": "InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1", "name": "dAMP", "names": [ "2'-Deoxyadenosine 5'-monophosphate", "2'-Deoxyadenosine 5'-phosphate", "Deoxyadenosine monophosphate", "Deoxyadenylic acid", "dAMP" ] }, { "compound_id": "C00361", "inchi": "InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1", "name": "dGDP", "names": [ "2'-Deoxyguanosine 5'-diphosphate", "dGDP" ] }, { "compound_id": "C00362", "inchi": "InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1", "name": "dGMP", "names": [ "2'-Deoxyguanosine 5'-monophosphate", "2'-Deoxyguanosine 5'-phosphate", "Deoxyguanosine monophosphate", "Deoxyguanylic acid", "dGMP" ] }, { "compound_id": "C00363", "inchi": "InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1", "name": "dTDP", "names": [ "Deoxythymidine 5'-diphosphate", "dTDP" ] }, { "compound_id": "C00364", "inchi": "InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1", "name": "dTMP", "names": [ "5'-Thymidylic acid", "Deoxythymidine 5'-phosphate", "Deoxythymidylic acid", "Thymidine 5'-phosphate", "Thymidine monophosphate", "Thymidylate", "Thymidylic acid", "dTMP" ] }, { "compound_id": "C00365", "inchi": "InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", "name": "dUMP", "names": [ "2'-Deoxyuridine 5'-phosphate", "Deoxyuridine 5'-phosphate", "Deoxyuridine monophosphate", "Deoxyuridylic acid", "dUMP" ] }, { "compound_id": "C00366", "inchi": "InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)", "name": "Urate", "names": [ "Urate", "Uric acid" ] }, { "compound_id": "C00369", "inchi": null, "name": "Starch", "names": [ "Starch" ] }, { "compound_id": "C00370", "inchi": "InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2", "name": "Sterol", "names": [ "Sterol" ] }, { "compound_id": "C00371", "inchi": "InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+", "name": "Zeatin", "names": [ "(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol", "N6-(4-Hydroxyisopentenyl)adenine", "Zeatin", "trans-Zeatin" ] }, { "compound_id": "C00372", "inchi": null, "name": "Dextran", "names": [ "(1,6-alpha-D-Glucosyl)m", "(1,6-alpha-D-Glucosyl)m+1", "(1,6-alpha-D-Glucosyl)n", "(1,6-alpha-D-Glucosyl)n+1", "1,6-alpha-D-Glucan", "Dextran", "Dextran 40", "Dextran 70", "Dextran 75" ] }, { "compound_id": "C00373", "inchi": "InChI=1S/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36)/t17-,19-,20-,22-,23-/m0/s1", "name": "Elastin", "names": [ "Elastin" ] }, { "compound_id": "C00374", "inchi": null, "name": "Heparin", "names": [ "Bemiparin", "Enoxaparin", "Heparin" ] }, { "compound_id": "C00375", "inchi": null, "name": "Primary amine", "names": [ "Primary amine", "RCH2NH2" ] }, { "compound_id": "C00376", "inchi": "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+", "name": "Retinal", "names": [ "Retinal", "Retinene", "Vitamin A aldehyde", "all-trans-Retinal", "all-trans-Retinene", "all-trans-Vitamin A aldehyde" ] }, { "compound_id": "C00377", "inchi": null, "name": "Steroid", "names": [ "Steroid" ] }, { "compound_id": "C00378", "inchi": "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1", "name": "Thiamine", "names": [ "Aneurin", "Antiberiberi factor", "Thiamin", "Thiamine", "Vitamin B1" ] }, { "compound_id": "C00379", "inchi": "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+", "name": "Xylitol", "names": [ "Xylitol" ] }, { "compound_id": "C00380", "inchi": "InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)", "name": "Cytosine", "names": [ "Cytosine" ] }, { "compound_id": "C00381", "inchi": "InChI=1S/C25H44O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,25-26H,7-10,12,14,16,18-20H2,1-6H3/b22-13+,23-15+,24-17-", "name": "Dolichol", "names": [ "Dolichol" ] }, { "compound_id": "C00383", "inchi": "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)", "name": "Malonate", "names": [ "Malonate", "Malonic acid", "Propanedioic acid" ] }, { "compound_id": "C00384", "inchi": null, "name": "Neomycin", "names": [ "Neomycin" ] }, { "compound_id": "C00385", "inchi": "InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)", "name": "Xanthine", "names": [ "Xanthine" ] }, { "compound_id": "C00386", "inchi": "InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1", "name": "Carnosine", "names": [ "Carnosine", "Nalpha-(beta-alanyl)-L-histidine" ] }, { "compound_id": "C00387", "inchi": "InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1", "name": "Guanosine", "names": [ "Guanosine" ] }, { "compound_id": "C00388", "inchi": "InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)", "name": "1H-Imidazole-4-ethanamine", "names": [ "1H-Imidazole-4-ethanamine", "2-(4-Imidazolyl)ethylamine", "Histamine" ] }, { "compound_id": "C00389", "inchi": "InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H", "name": "Quercetin", "names": [ "3,3',4,5,7-Pentahydroxyflavone", "3,5,7,3',4'-Pentahydroxyflavone", "Quercetin" ] }, { "compound_id": "C00390", "inchi": "InChI=1S/C19H28O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10,20-21H,7,9,11H2,1-6H3/b13-10+", "name": "Ubiquinol", "names": [ "CoQH2", "QH2", "Ubiquinol" ] }, { "compound_id": "C00391", "inchi": null, "name": "Calmodulin", "names": [ "Calmodulin" ] }, { "compound_id": "C00392", "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1", "name": "Mannitol", "names": [ "D-Mannitol", "Mannitol" ] }, { "compound_id": "C00393", "inchi": null, "name": "Fibrinogen", "names": [ "Blood coagulation factor I", "Fibrinogen" ] }, { "compound_id": "C00394", "inchi": "InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14?,15-/m1/s1", "name": "GDP-glucose", "names": [ "GDP-D-glucose", "GDP-alpha-D-glucose", "GDP-glucose", "GDPglucose", "gdpglucose" ] }, { "compound_id": "C00395", "inchi": null, "name": "Penicillin", "names": [ "Penam", "Penicillin" ] }, { "compound_id": "C00396", "inchi": "InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H", "name": "Pyrimidine", "names": [ "Pyrimidine", "Pyrimidine base" ] }, { "compound_id": "C00397", "inchi": "InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1", "name": "Tobramycin", "names": [ "3'-Deoxykanamycin B", "Nebramycin factir 6", "Tobramycin" ] }, { "compound_id": "C00398", "inchi": "InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2", "name": "Tryptamine", "names": [ "3-(2-Aminoethyl)indole", "Tryptamine" ] }, { "compound_id": "C00399", "inchi": "InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+", "name": "Ubiquinone", "names": [ "CoQ", "Coenzyme Q", "Q", "Ubiquinone" ] }, { "compound_id": "C00400", "inchi": "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1", "name": "(-)-Menthol", "names": [ "(-)-Menthol", "L-Menthol" ] }, { "compound_id": "C00401", "inchi": null, "name": "Chondroitin", "names": [ "Chondroitin", "Chondroitin-D-glucuronate" ] }, { "compound_id": "C00402", "inchi": "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1", "name": "D-Aspartate", "names": [ "D-Aspartate", "D-Aspartic acid" ] }, { "compound_id": "C00403", "inchi": null, "name": "Polypeptide", "names": [ "Polypeptide" ] }, { "compound_id": "C00404", "inchi": "InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)", "name": "Polyphosphate", "names": [ "(Phosphate)n", "(Phosphate)n+1", "(Phosphate)n-1", "(Polyphosphate)n", "(Polyphosphate)n-1", "Polyphosphate" ] }, { "compound_id": "C00405", "inchi": null, "name": "D-Amino acid", "names": [ "D-Amino acid" ] }, { "compound_id": "C00406", "inchi": "InChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/b7-5+/t20-,24-,25-,26?,30-/m1/s1", "name": "Feruloyl-CoA", "names": [ "Feruloyl-CoA", "trans-Feruloyl-CoA" ] }, { "compound_id": "C00407", "inchi": "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1", "name": "L-Isoleucine", "names": [ "2-Amino-3-methylvaleric acid", "L-Isoleucine", "L-isoleusine", "l-isoleusine" ] }, { "compound_id": "C00408", "inchi": "InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1", "name": "L-Pipecolate", "names": [ "(S)-Piperidine-2-carboxylic acid", "2-Piperidinecarboxylic acid", "L-Pipecolate", "Pipecolic acid", "Pipecolinic acid" ] }, { "compound_id": "C00409", "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3", "name": "Methanethiol", "names": [ "Methanethiol", "Methylmercaptan" ] }, { "compound_id": "C00410", "inchi": "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1", "name": "Progesterone", "names": [ "4-Pregnene-3,20-dione", "Progesterone" ] }, { "compound_id": "C00411", "inchi": "InChI=1S/C32H46N7O20P3S/c1-32(2,27(44)30(45)35-8-7-21(40)34-9-10-63-22(41)6-5-17-11-18(53-3)24(42)19(12-17)54-4)14-56-62(51,52)59-61(49,50)55-13-20-26(58-60(46,47)48)25(43)31(57-20)39-16-38-23-28(33)36-15-37-29(23)39/h5-6,11-12,15-16,20,25-27,31,42-44H,7-10,13-14H2,1-4H3,(H,34,40)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t20-,25-,26-,27?,31-/m1/s1", "name": "Sinapoyl-CoA", "names": [ "Sinapoyl-CoA" ] }, { "compound_id": "C00412", "inchi": "InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34?,38-/m1/s1", "name": "Stearoyl-CoA", "names": [ "Stearoyl-CoA", "Stearyl coenzyme A", "Stearyl-CoA" ] }, { "compound_id": "C00413", "inchi": "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15?,16?,17?,18?,21+/m0/s1", "name": "Streptomycin", "names": [ "Streptomycin" ] }, { "compound_id": "C00414", "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2", "name": "Cyclohexanone", "names": [ "Cyclohexanone" ] }, { "compound_id": "C00415", "inchi": "InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1", "name": "Dihydrofolate", "names": [ "7,8-Dihydrofolate", "7,8-Dihydrofolic acid", "7,8-Dihydropteroylglutamate", "Dihydrofolate", "Dihydrofolic acid" ] }, { "compound_id": "C00416", "inchi": null, "name": "Phosphatidate", "names": [ "1,2-Diacyl-sn-glycerol 3-phosphate", "3-sn-Phosphatidate", "Phosphatidate", "Phosphatidic acid" ] }, { "compound_id": "C00417", "inchi": "InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-", "name": "cis-Aconitate", "names": [ "cis-Aconitate", "cis-Aconitic acid" ] }, { "compound_id": "C00418", "inchi": "InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1", "name": "(R)-Mevalonate", "names": [ "(R)-Mevalonate", "3,5-Dihydroxy-3-methylvaleric acid", "Mevalonic acid" ] }, { "compound_id": "C00419", "inchi": null, "name": "Polynucleotide", "names": [ "Polynucleotide" ] }, { "compound_id": "C00420", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2", "name": "Polysaccharide", "names": [ "Glycan", "Polyglycose", "Polysaccharide" ] }, { "compound_id": "C00422", "inchi": null, "name": "Triacylglycerol", "names": [ "Triacylglycerol", "Triglyceride" ] }, { "compound_id": "C00423", "inchi": "InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+", "name": "trans-Cinnamate", "names": [ "(E)-Cinnamate", "trans-Cinnamate", "trans-Cinnamic acid" ] }, { "compound_id": "C00424", "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1", "name": "(S)-Lactaldehyde", "names": [ "(S)-Lactaldehyde", "L-2-Hydroxypropionaldehyde", "L-Lactaldehyde" ] }, { "compound_id": "C00426", "inchi": null, "name": "Dermatan sulfate", "names": [ "Chondroitin sulfate B", "Dermatan sulfate", "beta-Heparin" ] }, { "compound_id": "C00427", "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1", "name": "Prostaglandin H2", "names": [ "(5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate", "(5Z,13E,15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate", "(5Z,9alpha,11alpha,13E,15S)-9,11-Epidioxy-15-hydroxy-prosta-5,13-dienoate", "PGH2", "Prostaglandin H2" ] }, { "compound_id": "C00429", "inchi": "InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)", "name": "5,6-Dihydrouracil", "names": [ "2,4-Dioxotetrahydropyrimidine", "5,6-Dihydro-2,4-dihydroxypyrimidine", "5,6-Dihydrouracil", "Dihydro-2,4(1H,3H)-pyrimidinedione", "Dihydrouracil", "Dihydrouracile", "Hydrouracil" ] }, { "compound_id": "C00430", "inchi": "InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)", "name": "5-Aminolevulinate", "names": [ "5-Amino-4-oxopentanoate", "5-Amino-4-oxovaleric acid", "5-Aminolevulinate" ] }, { "compound_id": "C00431", "inchi": "InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)", "name": "5-Aminopentanoate", "names": [ "5-Aminopentanoate", "5-Aminopentanoic acid", "5-Aminovaleric acid" ] }, { "compound_id": "C00433", "inchi": "InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9)", "name": "2,5-Dioxopentanoate", "names": [ "2,5-Dioxopentanoate", "2-Oxoglutarate semialdehyde" ] }, { "compound_id": "C00434", "inchi": null, "name": "Double-stranded DNA", "names": [ "Double-stranded DNA" ] }, { "compound_id": "C00435", "inchi": null, "name": "Oxidized rubredoxin", "names": [ "Oxidized rubredoxin" ] }, { "compound_id": "C00436", "inchi": "InChI=1S/C5H13N3O/c6-3-1-2-4-8-5(7)9/h1-4,6H2,(H3,7,8,9)", "name": "N-Carbamoylputrescine", "names": [ "N-Carbamoylputrescine" ] }, { "compound_id": "C00437", "inchi": "InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1", "name": "N-Acetylornithine", "names": [ "N-Acetylornithine", "N2-Acetyl-L-ornithine", "n-2-acetyl-l-ornithine" ] }, { "compound_id": "C00438", "inchi": "InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1", "name": "N-Carbamoyl-L-aspartate", "names": [ "N-Carbamoyl-L-aspartate" ] }, { "compound_id": "C00439", "inchi": "InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1", "name": "N-Formimino-L-glutamate", "names": [ "N-Formimidoyl-L-glutamate", "N-Formimino-L-glutamate" ] }, { "compound_id": "C00440", "inchi": "InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m1/s1", "name": "5-Methyltetrahydrofolate", "names": [ "5-Methyltetrahydrofolate" ] }, { "compound_id": "C00441", "inchi": "InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1", "name": "L-Aspartate 4-semialdehyde", "names": [ "Aspartate beta-semialdehyde", "L-Aspartate 4-semialdehyde", "L-Aspartic 4-semialdehyde", "l-aspartate-4-semialdehyde" ] }, { "compound_id": "C00444", "inchi": null, "name": "5'-Phosphooligoribonucleotide", "names": [ "5'-Phosphooligoribonucleotide" ] }, { "compound_id": "C00445", "inchi": "InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p+1/t12?,13-/m0/s1", "name": "5,10-Methenyltetrahydrofolate", "names": [ "5,10-Methenyltetrahydrofolate" ] }, { "compound_id": "C00446", "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1", "name": "alpha-D-Galactose 1-phosphate", "names": [ "alpha-D-Galactopyranose 1-phosphate", "alpha-D-Galactose 1-phosphate" ] }, { "compound_id": "C00447", "inchi": "InChI=1S/C7H16O13P2/c8-3(1-19-21(13,14)15)5(10)7(12)6(11)4(9)2-20-22(16,17)18/h3,5-8,10-12H,1-2H2,(H2,13,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1", "name": "Sedoheptulose 1,7-bisphosphate", "names": [ "D-Sedoheptulose 1,7-bisphosphate", "D-altro-Heptulose 1,7-biphosphate", "Sedoheptulose 1,7-bisphosphate" ] }, { "compound_id": "C00448", "inchi": "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+", "name": "trans,trans-Farnesyl diphosphate", "names": [ "(2E,6E)-Farnesyl diphosphate", "2-trans,6-trans-Farnesyl diphosphate", "Farnesyl diphosphate", "Farnesyl pyrophosphate", "trans,trans-Farnesyl diphosphate" ] }, { "compound_id": "C00449", "inchi": "InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1", "name": "N6-(L-1,3-Dicarboxypropyl)-L-lysine", "names": [ "L-Saccharopine", "N-[(S)-5-Amino-5-carboxypentyl]-L-glutamic acid", "N6-(L-1,3-Dicarboxypropyl)-L-lysine", "Saccharopine" ] }, { "compound_id": "C00450", "inchi": "InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/t5-/m0/s1", "name": "(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate", "names": [ "(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate", "delta1-Piperideine-6-L-carboxylate" ] }, { "compound_id": "C00451", "inchi": "InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1", "name": "(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate", "names": [ "(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate", "D-threo-Isocitric acid" ] }, { "compound_id": "C00454", "inchi": null, "name": "NDP", "names": [ "NDP", "Nucleoside diphosphate" ] }, { "compound_id": "C00455", "inchi": "InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1", "name": "Nicotinamide D-ribonucleotide", "names": [ "NMN", "Nicotinamide D-ribonucleotide", "Nicotinamide mononucleotide", "Nicotinamide nucleotide", "Nicotinamide ribonucleotide", "beta-Nicotinamide D-ribonucleotide", "beta-Nicotinamide mononucleotide", "beta-Nicotinamide ribonucleotide" ] }, { "compound_id": "C00458", "inchi": "InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", "name": "dCTP", "names": [ "2'-Deoxycytidine 5'-triphosphate", "Deoxycytidine 5'-triphosphate", "Deoxycytidine triphosphate", "dCTP" ] }, { "compound_id": "C00459", "inchi": "InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1", "name": "dTTP", "names": [ "Deoxythymidine 5'-triphosphate", "Deoxythymidine triphosphate", "TTP", "dTTP" ] }, { "compound_id": "C00460", "inchi": "InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", "name": "dUTP", "names": [ "2'-Deoxyuridine 5'-triphosphate", "dUTP" ] }, { "compound_id": "C00461", "inchi": null, "name": "Chitin", "names": [ "Chitin", "[1,4-(N-Acetyl-beta-D-glucosaminyl)]n", "[1,4-(N-Acetyl-beta-D-glucosaminyl)]n+1", "beta-1,4-Poly-N-acetyl-D-glucosamine" ] }, { "compound_id": "C00462", "inchi": null, "name": "Halide", "names": [ "HX", "Halide", "Halo acid", "Hydrogen halide" ] }, { "compound_id": "C00463", "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H", "name": "Indole", "names": [ "2,3-Benzopyrrole", "Indole" ] }, { "compound_id": "C00464", "inchi": null, "name": "Mannan", "names": [ "Mannan", "Mannoglycan" ] }, { "compound_id": "C00466", "inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3", "name": "Acetoin", "names": [ "2-Acetoin", "3-Hydroxy-2-butanone", "3-Hydroxybutan-2-one", "Acetoin", "Dimethylketol" ] }, { "compound_id": "C00468", "inchi": "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1", "name": "Estrone", "names": [ "3-Hydroxy-1,3,5(10)-estratrien-17-one", "Estrone" ] }, { "compound_id": "C00469", "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3", "name": "Ethanol", "names": [ "Ethanol", "Ethyl alcohol", "Methylcarbinol" ] }, { "compound_id": "C00470", "inchi": "InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31)/t1-,2+,3+,4+,5+,6+,7+,8?,9?,10-,11-,12-,16?,17?,18?/m0/s1", "name": "Pectate", "names": [ "(1,4-alpha-D-Galacturonide)n", "(1,4-alpha-D-Galacturonosyl)n", "De-esterified pectin", "Pectate", "Pectic acid", "Poly(1,4-alpha-D-galacturonate)", "Poly(1,4-alpha-D-galacturonate)(n)", "alpha-D-Polygalacturonic acid" ] }, { "compound_id": "C00472", "inchi": "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H", "name": "p-Benzoquinone", "names": [ "1,4-Benzoquinone", "2,5-Cyclohexadiene-1,4-dione", "Chinone", "Quinone", "p-Benzoquinone" ] }, { "compound_id": "C00473", "inchi": "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+", "name": "Retinol", "names": [ "Retinol", "Vitamin A", "Vitamin A alcohol", "Vitamin A1", "all-trans-Retinol", "vitamin a alcohol" ] }, { "compound_id": "C00474", "inchi": "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2", "name": "Ribitol", "names": [ "Adonitol", "Ribitol" ] }, { "compound_id": "C00475", "inchi": "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1", "name": "Cytidine", "names": [ "Cytidine" ] }, { "compound_id": "C00476", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5?/m1/s1", "name": "D-Lyxose", "names": [ "D-Lyxose" ] }, { "compound_id": "C00477", "inchi": "InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20?,22+,23-,25+,26+,27+/m0/s1", "name": "Ecdysone", "names": [ "Ecdysone" ] }, { "compound_id": "C00478", "inchi": "InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4-10H,1H2/t4-,5-,6-/m0/s1", "name": "Lichenin", "names": [ "Lichenan", "Lichenin" ] }, { "compound_id": "C00479", "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3", "name": "Propanal", "names": [ "Propanal", "Propionaldehyde" ] }, { "compound_id": "C00480", "inchi": null, "name": "Pullulan", "names": [ "Pullulan" ] }, { "compound_id": "C00481", "inchi": "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)", "name": "Pyrazole", "names": [ "1,2-Diazole", "Pyrazole" ] }, { "compound_id": "C00482", "inchi": "InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+", "name": "Sinapate", "names": [ "3,5-Dimethoxy-4-hydroxycinnamic acid", "Sinapate", "Sinapic acid" ] }, { "compound_id": "C00483", "inchi": "InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2", "name": "Tyramine", "names": [ "2-(p-Hydroxyphenyl)ethylamine", "Tyramine" ] }, { "compound_id": "C00484", "inchi": null, "name": "Arylamide", "names": [ "Arylamide" ] }, { "compound_id": "C00486", "inchi": "InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-", "name": "Bilirubin", "names": [ "Bilirubin" ] }, { "compound_id": "C00487", "inchi": "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1", "name": "Carnitine", "names": [ "3-Hydroxy-4-trimethylammoniobutanoate", "Carnitine", "gamma-Trimethyl-hydroxybutyrobetaine" ] }, { "compound_id": "C00488", "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)", "name": "Formamide", "names": [ "Formamide", "Methanamide" ] }, { "compound_id": "C00489", "inchi": "InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)", "name": "Glutarate", "names": [ "1,3-Propanedicarboxylic acid", "Glutarate", "Glutaric acid", "Pentanedioic acid" ] }, { "compound_id": "C00490", "inchi": "InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)", "name": "Itaconate", "names": [ "Itaconate", "Itaconic acid", "Methylenesuccinic acid" ] }, { "compound_id": "C00491", "inchi": "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1", "name": "L-Cystine", "names": [ "L-Cystine", "L-Dicysteine", "L-alpha-Diamino-beta-dithiolactic acid" ] }, { "compound_id": "C00492", "inchi": "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1", "name": "Raffinose", "names": [ "6G-alpha-D-galactosylsucrose", "Gossypose", "Melitose", "Melitriose", "Raffinose" ] }, { "compound_id": "C00493", "inchi": "InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1", "name": "Shikimate", "names": [ "3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid", "Shikimate", "Shikimic acid" ] }, { "compound_id": "C00494", "inchi": "InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1", "name": "Sisomicin", "names": [ "Antibiotic 6640", "Dehydrogentamicin Cla", "Rickamicin", "Sisomicin" ] }, { "compound_id": "C00495", "inchi": "InChI=1S/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3", "name": "Sulochrin", "names": [ "Sulochrin" ] }, { "compound_id": "C00496", "inchi": null, "name": "Ubiquitin", "names": [ "Ubiquitin" ] }, { "compound_id": "C00497", "inchi": "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1", "name": "(R)-Malate", "names": [ "(R)-Malate", "D-Malate", "D-Malic acid" ] }, { "compound_id": "C00498", "inchi": "InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1", "name": "ADP-glucose", "names": [ "ADP-glucose", "ADPglucose", "Adenosine diphosphoglucose", "adpglucose" ] }, { "compound_id": "C00499", "inchi": "InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)", "name": "Allantoate", "names": [ "Allantoate", "Allantoic acid" ] }, { "compound_id": "C00500", "inchi": "InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-", "name": "Biliverdin", "names": [ "Biliverdin", "Biliverdin IX alpha" ] }, { "compound_id": "C00501", "inchi": "InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1", "name": "CDP-glucose", "names": [ "CDP-D-Glucose", "CDP-glucose", "cdpglucose" ] }, { "compound_id": "C00502", "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m1/s1", "name": "D-Xylonate", "names": [ "D-Xylonate" ] }, { "compound_id": "C00503", "inchi": "InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2", "name": "Erythritol", "names": [ "Erythrite", "Erythritol", "Erythrol", "Phycite", "Phycitol" ] }, { "compound_id": "C00504", "inchi": "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1", "name": "Folate", "names": [ "Folate", "Folic acid", "Pteroylglutamic acid" ] }, { "compound_id": "C00505", "inchi": null, "name": "Gentamicin", "names": [ "Gentamicin" ] }, { "compound_id": "C00506", "inchi": "InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1", "name": "L-Cysteate", "names": [ "2-Amino-3-sulfopropionic acid", "3-Sulfoalanine", "L-Cysteate", "L-Cysteic acid" ] }, { "compound_id": "C00507", "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1", "name": "L-Rhamnose", "names": [ "6-Deoxy-L-mannose", "L-Mannomethylose", "L-Rhamnose" ] }, { "compound_id": "C00508", "inchi": "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5?/m0/s1", "name": "L-Ribulose", "names": [ "L-Arabinoketose", "L-Arabinulose", "L-Riboketose", "L-Ribulose", "L-erythro-Pentulose" ] }, { "compound_id": "C00509", "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1", "name": "Naringenin", "names": [ "(-)-(2S)-Naringenin", "(2S)-Naringenin", "4',5,7-Trihydroxyflavanone", "Naringenin" ] }, { "compound_id": "C00510", "inchi": "InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34?,38-/m1/s1", "name": "Oleoyl-CoA", "names": [ "(9Z)-Octadecenoyl-CoA", "Oleoyl-CoA" ] }, { "compound_id": "C00511", "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)", "name": "Acrylic acid", "names": [ "2-Propenoic acid", "Acrylate", "Acrylic acid", "Propenoate", "Vinylformic acid" ] }, { "compound_id": "C00512", "inchi": "InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", "name": "S-Benzoate coenzyme A", "names": [ "Benzoyl-CoA", "S-Benzoate coenzyme A" ] }, { "compound_id": "C00513", "inchi": "InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6?,7-,9-,10-,11-/m1/s1", "name": "CDP-glycerol", "names": [ "CDP-glycerol" ] }, { "compound_id": "C00514", "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5+/m1/s1", "name": "D-Mannonate", "names": [ "D-Mannonate" ] }, { "compound_id": "C00515", "inchi": "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1", "name": "D-Ornithine", "names": [ "D-Ornithine" ] }, { "compound_id": "C00516", "inchi": null, "name": "Fibronectin", "names": [ "Fibronectin" ] }, { "compound_id": "C00517", "inchi": "InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3", "name": "Hexadecanal", "names": [ "Hexadecanal", "Palmitaldehyde" ] }, { "compound_id": "C00518", "inchi": null, "name": "Hyaluronate", "names": [ "Hyaluronate", "Hyaluronic acid", "[beta-N-Acetyl-D-glucosaminyl(1,4)beta-D-glucuronosyl(1,3)]n" ] }, { "compound_id": "C00519", "inchi": "InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)", "name": "Hypotaurine", "names": [ "2-Aminoethanesulfinic acid", "Hypotaurine" ] }, { "compound_id": "C00521", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1", "name": "(-)-Limonene", "names": [ "(-)-(4S)-Limonene", "(-)-(S)-Limonene", "(-)-Limonene" ] }, { "compound_id": "C00522", "inchi": "InChI=1S/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)/t4-/m0/s1", "name": "(R)-Pantoate", "names": [ "(R)-Pantoate", "Pantoate", "Pantoic acid" ] }, { "compound_id": "C00523", "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1", "name": "Androsterone", "names": [ "3alpha-Hydroxy-5alpha-androstan-17-one", "Androsterone" ] }, { "compound_id": "C00524", "inchi": null, "name": "Cytochrome c", "names": [ "Cytochrome c", "Holocytochrome c" ] }, { "compound_id": "C00525", "inchi": "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1", "name": "D-Tryptophan", "names": [ "D-Tryptophan" ] }, { "compound_id": "C00526", "inchi": "InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1", "name": "Deoxyuridine", "names": [ "2'-Deoxyuridine", "2-Deoxyuridine", "Deoxyuridine" ] }, { "compound_id": "C00527", "inchi": "InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21?,25-/m1/s1", "name": "Glutaryl-CoA", "names": [ "Glutaryl-CoA" ] }, { "compound_id": "C00528", "inchi": "InChI=1S/C36H64N8O17/c1-6-39-25-29(28(22(14-46)59-35(25)57)61-36-24(42-18(5)47)27(50)26(49)21(13-45)60-36)58-17(4)32(53)40-15(2)31(52)44-19(30(38)51)10-11-23(48)43-20(9-7-8-12-37)33(54)41-16(3)34(55)56/h15-17,19-22,24-29,35-36,39,45-46,49-50,57H,6-14,37H2,1-5H3,(H2,38,51)(H,40,53)(H,41,54)(H,42,47)(H,43,48)(H,44,52)(H,55,56)/t15-,16+,17+,19-,20-,21-,22?,24-,25-,26-,27-,28+,29?,35?,36+/m1/s1", "name": "Glycopeptide", "names": [ "Glycopeptide" ] }, { "compound_id": "C00530", "inchi": "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H", "name": "Hydroquinone", "names": [ "1,4-Benzenediol", "1,4-Dihydroxybenzene", "4-Hydroxyphenol", "Benzene-1,4-diol", "Hydroquinone", "Quinol", "p-Benzenediol" ] }, { "compound_id": "C00531", "inchi": "InChI=1S/C26H40N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,36-37H,1,4-10H2,2-3H3,(H,28,34)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,18-,19-,20?,24-/m1/s1", "name": "Itaconyl-CoA", "names": [ "Itaconyl-CoA" ] }, { "compound_id": "C00532", "inchi": "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1", "name": "L-Arabitol", "names": [ "L-Arabinitol", "L-Arabinol", "L-Arabitol", "L-Lyxitol" ] }, { "compound_id": "C00533", "inchi": "InChI=1S/NO/c1-2", "name": "Nitric oxide", "names": [ "NO", "Nitric oxide", "Nitrogen monoxide" ] }, { "compound_id": "C00534", "inchi": "InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3", "name": "Pyridoxamine", "names": [ "PM", "Pyridoxamine" ] }, { "compound_id": "C00535", "inchi": "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1", "name": "Testosterone", "names": [ "17beta-Hydroxy-4-androsten-3-one", "4-androstene-17-ol-3-one", "Testosterone" ] }, { "compound_id": "C00536", "inchi": "InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)", "name": "Triphosphate", "names": [ "Inorganic triphosphate", "Triphosphate", "Triphosphoric acid", "Tripolyphosphate" ] }, { "compound_id": "C00538", "inchi": null, "name": "2-Oxoaldehyde", "names": [ "2-Oxoaldehyde" ] }, { "compound_id": "C00539", "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)", "name": "Aromatic acid", "names": [ "Aromatic acid", "Aromatic carboxylic acid" ] }, { "compound_id": "C00540", "inchi": "InChI=1S/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-8+/t19-,23-,24-,25?,29-/m1/s1", "name": "Cinnamoyl-CoA", "names": [ "Cinnamoyl-CoA" ] }, { "compound_id": "C00541", "inchi": "InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;/m1./s1", "name": "Cob(II)alamin", "names": [ "Cob(II)alamin", "Vitamin B12r" ] }, { "compound_id": "C00542", "inchi": "InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)", "name": "Cystathionine", "names": [ "Cystathionine" ] }, { "compound_id": "C00543", "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3", "name": "Dimethylamine", "names": [ "(CH3)2NH", "Dimethylamine" ] }, { "compound_id": "C00544", "inchi": "InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)", "name": "Homogentisate", "names": [ "2,5-Dihydroxyphenylacetate", "2,5-Dihydroxyphenylacetic acid", "Homogentisate", "Homogentisic acid" ] }, { "compound_id": "C00545", "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m0/s1", "name": "L-Arabinonate", "names": [ "L-Arabinonate" ] }, { "compound_id": "C00546", "inchi": "InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3", "name": "Methylglyoxal", "names": [ "2-Ketopropionaldehyde", "2-Oxopropanal", "Methylglyoxal", "Pyruvaldehyde", "Pyruvic aldehyde" ] }, { "compound_id": "C00547", "inchi": "InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1", "name": "L-Noradrenaline", "names": [ "4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol", "Arterenol", "L-Noradrenaline", "Noradrenaline", "Norepinephrine" ] }, { "compound_id": "C00548", "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3", "name": "Phenyl acetate", "names": [ "Acetic acid,phenyl ester", "Acetylphenol", "Phenyl acetate" ] }, { "compound_id": "C00549", "inchi": "InChI=1S/C27H34N6O22P2/c34-7-10-20(18(40)23(51-10)32-5-2-14(36)29-26(32)43)54-57(47,48)50-9-12-21(19(41)24(53-12)33-6-3-15(37)30-27(33)44)55-56(45,46)49-8-11-16(38)17(39)22(52-11)31-4-1-13(35)28-25(31)42/h1-6,10-12,16-24,34,38-41H,7-9H2,(H,45,46)(H,47,48)(H,28,35,42)(H,29,36,43)(H,30,37,44)/t10-,11-,12-,16-,17-,18-,19-,20?,21?,22-,23-,24-/m1/s1", "name": "RNA (poly(U))", "names": [ "RNA (poly(U))" ] }, { "compound_id": "C00550", "inchi": null, "name": "Sphingomyelin", "names": [ "Sphingomyelin" ] }, { "compound_id": "C00551", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6?,7-,8+,9-,10?,11-,12-,13-,14?,15+,16+,17+,18?/m1/s1", "name": "beta-D-Glucan", "names": [ "beta-D-Glucan", "beta-Glucan" ] }, { "compound_id": "C00552", "inchi": "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+", "name": "meso-Tartaric acid", "names": [ "meso-Tartaric acid", "meso-Tartrate" ] }, { "compound_id": "C00553", "inchi": "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10?/m1/s1", "name": "(+)-Neomenthol", "names": [ "(+)-Neomenthol" ] }, { "compound_id": "C00555", "inchi": "InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2", "name": "4-Aminobutyraldehyde", "names": [ "4-Aminobutanal", "4-Aminobutyraldehyde", "Butyraldehyde, 4-amino-" ] }, { "compound_id": "C00556", "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2", "name": "Benzyl alcohol", "names": [ "Benzenemethanol", "Benzyl alcohol", "Hydroxymethylbenzene", "Phenylcarbinol", "Phenylmethanol", "alpha-Hydroxytoluene" ] }, { "compound_id": "C00557", "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2", "name": "Cyclopentanone", "names": [ "Cyclopentanone" ] }, { "compound_id": "C00558", "inchi": "InChI=1S/C6H10O7/c7-1-6(12)4(9)2(8)3(13-6)5(10)11/h2-4,7-9,12H,1H2,(H,10,11)/t2-,3-,4-,6?/m0/s1", "name": "D-Tagaturonate", "names": [ "D-Tagaturonate", "D-Tagaturonic acid" ] }, { "compound_id": "C00559", "inchi": "InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1", "name": "Deoxyadenosine", "names": [ "2'-Deoxyadenosine", "Deoxyadenosine" ] }, { "compound_id": "C00561", "inchi": "InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H", "name": "Mandelonitrile", "names": [ "Benzaldehyde cyanohydrin", "Mandelonitrile" ] }, { "compound_id": "C00562", "inchi": null, "name": "Phosphoprotein", "names": [ "Phosphoprotein" ] }, { "compound_id": "C00563", "inchi": "InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1", "name": "Phosphoramidon", "names": [ "Phosphoramidon" ] }, { "compound_id": "C00565", "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3", "name": "Trimethylamine", "names": [ "(CH3)3N", "N,N-Dimethylmethanamine", "Trimethylamine" ] }, { "compound_id": "C00566", "inchi": "InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/t13-,18-,19-,20?,24-,27?/m1/s1", "name": "(3S)-Citryl-CoA", "names": [ "(3S)-Citryl-CoA" ] }, { "compound_id": "C00568", "inchi": "InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)", "name": "4-Aminobenzoate", "names": [ "4-Aminobenzoate", "4-Aminobenzoic acid", "ABEE", "p-Aminobenzoate" ] }, { "compound_id": "C00569", "inchi": null, "name": "Arabinogalactan", "names": [ "Arabinogalactan", "Arabinogalactoglycan" ] }, { "compound_id": "C00570", "inchi": "InChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1", "name": "CDP-ethanolamine", "names": [ "CDP-ethanolamine", "Cytidine diphosphate ethanolamine", "cdpethanolamine" ] }, { "compound_id": "C00571", "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2", "name": "Cyclohexylamine", "names": [ "Cyclohexanamine", "Cyclohexylamine" ] }, { "compound_id": "C00573", "inchi": null, "name": "Keratan sulfate", "names": [ "Keratan", "Keratan 6'-sulfate", "Keratan sulfate", "Kerato 6'-sulfate", "Kerato sulfate" ] }, { "compound_id": "C00574", "inchi": null, "name": "beta-D-Fucoside", "names": [ "beta-D-Fucoside" ] }, { "compound_id": "C00575", "inchi": "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1", "name": "3',5'-Cyclic AMP", "names": [ "3',5'-Cyclic AMP", "Adenosine 3',5'-cyclic phosphate", "Adenosine 3',5'-phosphate", "Adenosine 3':5'-(cyclic)phosphate", "Cyclic AMP", "Cyclic adenylic acid", "adenosine 3':5'-(cyclic)phosphate", "cAMP" ] }, { "compound_id": "C00576", "inchi": "InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1", "name": "Betaine aldehyde", "names": [ "Betaine aldehyde" ] }, { "compound_id": "C00577", "inchi": "InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1", "name": "D-Glyceraldehyde", "names": [ "(R)-Glyceraldehyde", "(r)-glyceraldehyde", "D-Glyceraldehyde" ] }, { "compound_id": "C00579", "inchi": "InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)", "name": "Dihydrolipoamide", "names": [ "Dihydrolipoamide", "Dihydrothioctamide" ] }, { "compound_id": "C00580", "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3", "name": "Dimethyl sulfide", "names": [ "Dimethyl sulfide", "Methyl sulfide", "Methyl thioether", "dimethylsulfide" ] }, { "compound_id": "C00581", "inchi": "InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)", "name": "Guanidinoacetate", "names": [ "Glycocyamine", "Guanidinoacetate", "Guanidinoacetic acid", "Guanidoacetic acid", "N-Amidinoglycine" ] }, { "compound_id": "C00582", "inchi": "InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24?,28-/m1/s1", "name": "Phenylacetyl-CoA", "names": [ "Phenylacetyl coenzyme A", "Phenylacetyl-CoA" ] }, { "compound_id": "C00583", "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3", "name": "Propane-1,2-diol", "names": [ "1,2-Propanediol", "Propane-1,2-diol", "Propylene glycol" ] }, { "compound_id": "C00584", "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1", "name": "Prostaglandin E2", "names": [ "(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate", "(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate", "Dinoprostone", "PGE2", "Prostaglandin E2" ] }, { "compound_id": "C00585", "inchi": null, "name": "Protein tyrosine", "names": [ "Protein tyrosine", "[Protein]-L-tyrosine" ] }, { "compound_id": "C00586", "inchi": "InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1", "name": "2-Deoxy-D-glucose", "names": [ "2-Deoxy-D-arabino-hexose", "2-Deoxy-D-glucose", "D-arabino-2-Deoxyhexose" ] }, { "compound_id": "C00587", "inchi": "InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)", "name": "3-Hydroxybenzoate", "names": [ "3-Hydroxybenzoate", "3-Hydroxybenzoic acid", "m-Hydroxybenzoic acid" ] }, { "compound_id": "C00588", "inchi": "InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1", "name": "Choline phosphate", "names": [ "Choline phosphate", "O-Phosphocholine", "Phosphocholine", "Phosphorylcholine" ] }, { "compound_id": "C00590", "inchi": "InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+", "name": "Coniferyl alcohol", "names": [ "4-(3-Hydroxy-1-propenyl)-2-methoxyphenol", "Coniferol", "Coniferyl alcohol" ] }, { "compound_id": "C00591", "inchi": null, "name": "N-Acylneuraminate", "names": [ "N-Acylneuraminate" ] }, { "compound_id": "C00593", "inchi": "InChI=1S/C2H4O4S/c3-1-2-7(4,5)6/h1H,2H2,(H,4,5,6)", "name": "Sulfoacetaldehyde", "names": [ "2-Sulfoacetaldehyde", "Sulfoacetaldehyde" ] }, { "compound_id": "C00596", "inchi": "InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3,6H,1H2,(H,7,8)/b4-3+", "name": "2-Hydroxy-2,4-pentadienoate", "names": [ "2-Hydroxy-2,4-pentadienoate", "2-Hydroxypenta-2,4-dienoate", "2-Oxopent-4-enoate", "Oxopent-4-enoate", "cis-2-Hydroxypenta-2,4-dienoate" ] }, { "compound_id": "C00597", "inchi": "InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)", "name": "3-Phospho-DL-glycerate", "names": [ "3-Phospho-DL-glycerate", "3-Phosphoglycerate", "DL-Glycerate 3-phosphate" ] }, { "compound_id": "C00599", "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1", "name": "Cholest-4-en-3-one", "names": [ "4-Cholesten-3-one", "Cholest-4-en-3-one", "Cholestenone" ] }, { "compound_id": "C00601", "inchi": "InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2", "name": "Phenylacetaldehyde", "names": [ "Phenylacetaldehyde", "alpha-Tolualdehyde" ] }, { "compound_id": "C00602", "inchi": null, "name": "beta-D-Galactoside", "names": [ "beta-D-Galactoside" ] }, { "compound_id": "C00603", "inchi": "InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1", "name": "(-)-Ureidoglycolate", "names": [ "(-)-Ureidoglycolate", "(S)-Ureidoglycolate" ] }, { "compound_id": "C00604", "inchi": "InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H", "name": "1,10-Phenanthroline", "names": [ "1,10-Phenanthroline", "o-Phenanthroline" ] }, { "compound_id": "C00605", "inchi": null, "name": "2,3-Dehydroacyl-CoA", "names": [ "2,3-Dehydroacyl-CoA", "Dehydroacyl-CoA" ] }, { "compound_id": "C00606", "inchi": "InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1", "name": "3-Sulfino-L-alanine", "names": [ "3-Sulfino-L-alanine", "3-Sulfinoalanine", "3-Sulphino-L-alanine", "L-Cysteinesulfinic acid" ] }, { "compound_id": "C00607", "inchi": null, "name": "Chondroitin sulfate", "names": [ "Chondroitin sulfate" ] }, { "compound_id": "C00608", "inchi": null, "name": "Deoxyribonucleotide", "names": [ "Deoxyribonucleotide" ] }, { "compound_id": "C00609", "inchi": null, "name": "Long-chain aldehyde", "names": [ "Long-chain aldehyde" ] }, { "compound_id": "C00611", "inchi": "InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12?,13-,14?/m1/s1", "name": "N-Acetyllactosamine", "names": [ "N-Acetyllactosamine", "beta-D-Galactosyl-1,4-N-acetyl-D-glucosamine", "beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosamine" ] }, { "compound_id": "C00612", "inchi": "InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)", "name": "N1-Acetylspermidine", "names": [ "N1-Acetylspermidine" ] }, { "compound_id": "C00613", "inchi": null, "name": "Protein-L-arginine", "names": [ "Peptide L-arginine", "Protein-L-arginine" ] }, { "compound_id": "C00614", "inchi": null, "name": "Protein glutamate", "names": [ "Protein L-glutamate", "Protein glutamate" ] }, { "compound_id": "C00615", "inchi": null, "name": "Protein histidine", "names": [ "Protein L-histidine", "Protein histidine", "[Protein]-L-histidine" ] }, { "compound_id": "C00616", "inchi": "InChI=1S/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-19H,(H,21,22,23)", "name": "Quercetin 3-sulfate", "names": [ "Quercetin 3-sulfate" ] }, { "compound_id": "C00617", "inchi": "InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8-,9-,10-,11+,12?,14-/m1/s1", "name": "UDP-D-galacturonate", "names": [ "UDP-D-galacturonate", "UDPgalacturonate" ] }, { "compound_id": "C00618", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)/t2-,3+,5-/m0/s1", "name": "3-Dehydro-L-gulonate", "names": [ "3-Dehydro-L-gulonate" ] }, { "compound_id": "C00619", "inchi": "InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3", "name": "3-Oxo-delta4-steroid", "names": [ "3-Oxo-delta4-steroid" ] }, { "compound_id": "C00620", "inchi": "InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1", "name": "alpha-D-Ribose 1-phosphate", "names": [ "D-Ribose 1-phosphate", "Ribose 1-phosphate", "alpha-D-Ribose 1-phosphate" ] }, { "compound_id": "C00621", "inchi": "InChI=1S/C25H46O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17-", "name": "Dolichyl diphosphate", "names": [ "Dolichol diphosphate", "Dolichyl diphosphate" ] }, { "compound_id": "C00623", "inchi": "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1", "name": "Glycerol 1-phosphate", "names": [ "Glycerol 1-phosphate", "L-Glycerol 1-phosphate", "sn-Glycerol 1-phosphate", "sn-Gro-1-P" ] }, { "compound_id": "C00624", "inchi": "InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1", "name": "N-Acetyl-L-glutamate", "names": [ "N-Acetyl-L-glutamate", "N-Acetyl-L-glutamic acid" ] }, { "compound_id": "C00625", "inchi": null, "name": "N-Acyl-D-mannosamine", "names": [ "N-Acyl-D-mannosamine" ] }, { "compound_id": "C00627", "inchi": "InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)", "name": "Pyridoxine phosphate", "names": [ "Pyridoxine 5'-phosphate", "Pyridoxine 5-phosphate", "Pyridoxine phosphate", "Pyridoxol 5'-phosphate" ] }, { "compound_id": "C00628", "inchi": "InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)", "name": "2,5-Dihydroxybenzoate", "names": [ "2,5-Dihydroxybenzoate", "2,5-Dihydroxybenzoic acid", "Gentisate", "Gentisic acid", "Hydroquinonecarboxylic acid" ] }, { "compound_id": "C00630", "inchi": "InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1", "name": "2-Methylpropanoyl-CoA", "names": [ "2-Methylpropanoyl-CoA", "2-Methylpropionyl-CoA", "Isobutyryl-CoA" ] }, { "compound_id": "C00631", "inchi": "InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1", "name": "2-Phospho-D-glycerate", "names": [ "2-Phospho-(R)-glycerate", "2-Phospho-D-glycerate", "D-Glycerate 2-phosphate" ] }, { "compound_id": "C00632", "inchi": "InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)", "name": "3-Hydroxyanthranilate", "names": [ "3-Hydroxyanthranilate", "3-Hydroxyanthranilic acid" ] }, { "compound_id": "C00633", "inchi": "InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H", "name": "4-Hydroxybenzaldehyde", "names": [ "4-Hydroxybenzaldehyde", "p-Hydroxybenzaldehyde" ] }, { "compound_id": "C00634", "inchi": null, "name": "Chondroitin 4-sulfate", "names": [ "Chondroitin 4'-sulfate", "Chondroitin 4-sulfate", "Chondroitin sulfate A" ] }, { "compound_id": "C00635", "inchi": null, "name": "Chondroitin 6-sulfate", "names": [ "Chondroitin 6'-sulfate", "Chondroitin 6-sulfate", "Chondroitin sulfate C" ] }, { "compound_id": "C00636", "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1", "name": "D-Mannose 1-phosphate", "names": [ "D-Mannose 1-phosphate", "alpha-D-Mannose 1-phosphate" ] }, { "compound_id": "C00637", "inchi": "InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2", "name": "Indole-3-acetaldehyde", "names": [ "2-(Indol-3-yl)acetaldehyde", "Indole-3-acetaldehyde", "Indoleacetaldehyde" ] }, { "compound_id": "C00638", "inchi": null, "name": "Long-chain fatty acid", "names": [ "Higher fatty acid", "Long-chain fatty acid" ] }, { "compound_id": "C00639", "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1", "name": "Prostaglandin F2alpha", "names": [ "(+)-Prostaglandin F2a", "(5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate", "(5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dienoate", "7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid", "9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid", "9a,11a-PGF2", "Amoglandin", "Cyclosin", "Dinoprost", "Enzaprost", "Enzaprost F", "PGF2a", "Panacelan", "Prostaglandin F2a", "Prostaglandin F2alpha", "Prostin F 2 alpha", "Protamodin", "U 14583" ] }, { "compound_id": "C00640", "inchi": null, "name": "(3S)-3-Hydroxyacyl-CoA", "names": [ "(3S)-3-Hydroxyacyl-CoA", "(S)-3-Hydroxyacyl-CoA" ] }, { "compound_id": "C00641", "inchi": null, "name": "1,2-Diacyl-sn-glycerol", "names": [ "1,2-Diacyl-sn-glycerol", "1,2-Diacylglycerol", "L-1,2-Diacylglycerol" ] }, { "compound_id": "C00642", "inchi": "InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)", "name": "4-Hydroxyphenylacetate", "names": [ "4-Hydroxyphenylacetate", "4-Hydroxyphenylacetic acid" ] }, { "compound_id": "C00643", "inchi": "InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1", "name": "5-Hydroxy-L-tryptophan", "names": [ "5-Hydroxy-L-tryptophan", "Oxitriptan" ] }, { "compound_id": "C00644", "inchi": "InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)", "name": "D-Mannitol 1-phosphate", "names": [ "D-Mannitol 1-phosphate", "d-mannitol-1-phosphate" ] }, { "compound_id": "C00645", "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1", "name": "N-Acetyl-D-mannosamine", "names": [ "2-Acetamido-2-deoxy-D-mannose", "N-Acetyl-D-mannosamine" ] }, { "compound_id": "C00647", "inchi": "InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)", "name": "Pyridoxamine phosphate", "names": [ "Pyridoxamine 5'-phosphate", "Pyridoxamine 5-phosphate", "Pyridoxamine phosphate" ] }, { "compound_id": "C00650", "inchi": "InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H", "name": "4-Hydroxymandelonitrile", "names": [ "4-Hydroxymandelonitrile" ] }, { "compound_id": "C00651", "inchi": "InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1", "name": "4-Methylene-L-glutamate", "names": [ "4-Methylene-L-glutamate" ] }, { "compound_id": "C00652", "inchi": "InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4+/m1/s1", "name": "D-Arabinono-1,4-lactone", "names": [ "D-Arabinono-1,4-lactone" ] }, { "compound_id": "C00653", "inchi": null, "name": "Poly(ribitol phosphate)", "names": [ "(Ribitol phosphate)n", "(Ribitol phosphate)n+1", "Poly(ribitol phosphate)", "Poly-1,5-ribitol phosphate" ] }, { "compound_id": "C00655", "inchi": "InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1", "name": "Xanthosine 5'-phosphate", "names": [ "(9-D-Ribosylxanthine)-5'-phosphate", "XMP", "Xanthosine 5'-phosphate", "Xanthylic acid" ] }, { "compound_id": "C00658", "inchi": null, "name": "trans-2,3-Dehydroacyl-CoA", "names": [ "(2E)-2-Enoyl-CoA", "trans-2,3-Dehydroacyl-CoA", "trans-2,3-Didehydroacyl-CoA", "trans-2-Enoyl-CoA", "trans-Didehydroacyl-CoA" ] }, { "compound_id": "C00659", "inchi": "InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)", "name": "2-Aceto-2-hydroxybutanoate", "names": [ "2-Aceto-2-hydroxybutanoate" ] }, { "compound_id": "C00660", "inchi": "InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1", "name": "D-Glucose 1,6-bisphosphate", "names": [ "D-Glucose 1,6-biphosphate", "D-Glucose 1,6-bisphosphate", "d-glucose 1,6-diphosphate" ] }, { "compound_id": "C00661", "inchi": "InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)", "name": "DL-Glyceraldehyde 3-phosphate", "names": [ "DL-Glyceraldehyde 3-phosphate", "Glyceraldehyde 3-phosphate" ] }, { "compound_id": "C00662", "inchi": null, "name": "Reduced adrenal ferredoxin", "names": [ "Reduced adrenal ferredoxin", "Reduced adrenodoxin" ] }, { "compound_id": "C00663", "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1", "name": "beta-D-Glucose 1-phosphate", "names": [ "beta-D-Glucose 1-phosphate" ] }, { "compound_id": "C00664", "inchi": "InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)", "name": "5-Formiminotetrahydrofolate", "names": [ "5-Formimidoyltetrahydrofolate", "5-Formiminotetrahydrofolate" ] }, { "compound_id": "C00665", "inchi": "InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1", "name": "beta-D-Fructose 2,6-bisphosphate", "names": [ "D-Fructose 2,6-bisphosphate", "beta-D-Fructose 2,6-bisphosphate" ] }, { "compound_id": "C00666", "inchi": "InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1", "name": "LL-2,6-Diaminoheptanedioate", "names": [ "LL-2,6-Diaminoheptanedioate", "LL-2,6-Diaminopimelate", "LL-2,6-Diaminopimelic acid", "l,l-2,6-diaminoheptanedioate" ] }, { "compound_id": "C00667", "inchi": null, "name": "Oxidized adrenal ferredoxin", "names": [ "Oxidized adrenal ferredoxin", "Oxidized adrenodoxin" ] }, { "compound_id": "C00668", "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1", "name": "alpha-D-Glucose 6-phosphate", "names": [ "alpha-D-Glucose 6-phosphate" ] }, { "compound_id": "C00669", "inchi": "InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1", "name": "gamma-L-Glutamyl-L-cysteine", "names": [ "5-L-Glutamyl-L-cysteine", "L-gamma-Glutamylcysteine", "gamma-Glutamylcysteine", "gamma-L-Glutamyl-L-cysteine" ] }, { "compound_id": "C00670", "inchi": "InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1", "name": "sn-glycero-3-Phosphocholine", "names": [ "Glycerophosphocholine", "sn-glycero-3-Phosphocholine" ] }, { "compound_id": "C00671", "inchi": "InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1", "name": "(S)-3-Methyl-2-oxopentanoic acid", "names": [ "(3S)-3-Methyl-2-oxopentanoate", "(3S)-3-Methyl-2-oxopentanoic acid", "(S)-3-Methyl-2-oxopentanoate", "(S)-3-Methyl-2-oxopentanoic acid" ] }, { "compound_id": "C00672", "inchi": "InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1", "name": "2-Deoxy-D-ribose 1-phosphate", "names": [ "2-Deoxy-D-ribose 1-phosphate", "2-Deoxy-alpha-D-ribose 1-phosphate", "2-deoxy--d-ribose 1-phosphate" ] }, { "compound_id": "C00673", "inchi": "InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1", "name": "2-Deoxy-D-ribose 5-phosphate", "names": [ "2-Deoxy-D-ribose 5-phosphate" ] }, { "compound_id": "C00674", "inchi": "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14?,15?,16?,18?,19?/m0/s1", "name": "5alpha-Androstane-3,17-dione", "names": [ "5-Androstane-3,17-dione", "5-androstane-3,17-dione", "5alpha-Androstane-3,17-dione", "Androstanedione" ] }, { "compound_id": "C00675", "inchi": null, "name": "Deoxynucleoside 3'-phosphate", "names": [ "Deoxynucleoside 3'-phosphate" ] }, { "compound_id": "C00676", "inchi": null, "name": "Deoxynucleoside 5'-phosphate", "names": [ "2'-Deoxynucleoside 5'-monophosphate", "2'-Deoxynucleoside 5'-phosphate", "Deoxynucleoside 5'-phosphate" ] }, { "compound_id": "C00677", "inchi": null, "name": "Deoxynucleoside triphosphate", "names": [ "Deoxynucleoside triphosphate" ] }, { "compound_id": "C00679", "inchi": "InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/t2-,4+/m0/s1", "name": "5-Dehydro-4-deoxy-D-glucarate", "names": [ "5-Dehydro-4-deoxy-D-glucarate" ] }, { "compound_id": "C00680", "inchi": "InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+", "name": "meso-2,6-Diaminoheptanedioate", "names": [ "meso-2,6-Diaminoheptanedioate", "meso-2,6-Diaminopimelate", "meso-2,6-Diaminopimelic acid", "meso-Diaminoheptanedioate" ] }, { "compound_id": "C00681", "inchi": null, "name": "1-Acyl-sn-glycerol 3-phosphate", "names": [ "1-Acyl-sn-glycerol 3-phosphate", "2-Lysophosphatidate", "Lysophosphatidate", "Lysophosphatidic acid" ] }, { "compound_id": "C00682", "inchi": "InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1-,5-3+", "name": "2-Hydroxymuconate semialdehyde", "names": [ "2-Hydroxymuconate semialdehyde", "2-Hydroxymuconic semialdehyde" ] }, { "compound_id": "C00683", "inchi": "InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13+,16+,17+,18?,22+/m0/s1", "name": "(S)-Methylmalonyl-CoA", "names": [ "(2S)-Methylmalonyl-CoA", "(S)-Methylmalonyl-CoA", "(S)-Methylmalonyl-coenzyme A", "D-Methylmalonyl-CoA" ] }, { "compound_id": "C00684", "inchi": "InChI=1S/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)/t3-/m1/s1", "name": "2-Dehydro-3-deoxy-L-arabinonate", "names": [ "2-Dehydro-3-deoxy-L-arabinonate", "2-Dehydro-3-deoxy-L-pentonate" ] }, { "compound_id": "C00685", "inchi": null, "name": "3-Oxoacyl-[acyl-carrier protein]", "names": [ "3-Oxoacyl-[acyl-carrier protein]" ] }, { "compound_id": "C00686", "inchi": null, "name": "N-Acyl-D-mannosamine 6-phosphate", "names": [ "N-Acyl-D-mannosamine 6-phosphate" ] }, { "compound_id": "C00688", "inchi": "InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,12+,13+,15+/m0/s1", "name": "dTDP-4-dehydro-6-deoxy-L-mannose", "names": [ "dTDP-4-dehydro-6-deoxy-L-mannose", "dTDP-4-oxo-6-deoxy-L-mannose", "dTDP-4-oxo-L-rhamnose" ] }, { "compound_id": "C00689", "inchi": "InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12?/m1/s1", "name": "alpha,alpha'-Trehalose 6-phosphate", "names": [ ",-Trehalose 6-phosphate", ",-trehalose 6-phosphate", "Trehalose 6-phosphate", "alpha,alpha'-Trehalose 6-phosphate" ] }, { "compound_id": "C00691", "inchi": "InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4+,5-", "name": "2,4,6/3,5-Pentahydroxycyclohexanone", "names": [ "2,4,6/3,5-Pentahydroxycyclohexanone", "2-Inosose", "scyllo-Inosose" ] }, { "compound_id": "C00692", "inchi": "InChI=1S/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3)35)27(54-14(8-34)20(22)40)55-58(49,50)56-57(47,48)51-9-15-19(39)21(41)25(53-15)33-7-6-16(36)32-28(33)46/h6-7,10-11,13-15,18-22,25,27,34,39-41H,4-5,8-9H2,1-3H3,(H,29,43)(H,30,35)(H,31,42)(H,37,38)(H,44,45)(H,47,48)(H,49,50)(H,32,36,46)/t10-,11+,13+,14+,15+,18+,19+,20+,21+,22+,25+,27+/m0/s1", "name": "UDP-N-acetylmuramoyl-L-alanyl-D-glutamate", "names": [ "UDP-N-acetylmuramoyl-L-alanyl-D-glutamate" ] }, { "compound_id": "C00693", "inchi": null, "name": "trans-2,3-Dehydroacyl-[acyl-carrier protein]", "names": [ "trans-2,3-Dehydroacyl-[acyl-carrier protein]" ] }, { "compound_id": "C00694", "inchi": null, "name": "beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-R", "names": [ "beta-D-Galactosyl-(1->4)-N-acetyl-D-glucosaminyl-R", "beta-D-Galactosyl-(1->4)-beta-N-acetyl-D-glucosaminyl-R", "beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-R" ] }, { "compound_id": "C00695", "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1", "name": "Cholic acid", "names": [ "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate", "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid", "Cholate", "Cholic acid" ] }, { "compound_id": "C00696", "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1", "name": "Prostaglandin D2", "names": [ "(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate", "(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate", "PGD2", "Prostaglandin D2" ] }, { "compound_id": "C00697", "inchi": "InChI=1S/N2/c1-2", "name": "Nitrogen", "names": [ "N2", "Nitrogen" ] }, { "compound_id": "C00698", "inchi": "InChI=1S/ClH/h1H/p-1", "name": "Cl-", "names": [ "Chloride", "Chloride ion", "Cl-" ] }, { "compound_id": "C00700", "inchi": "InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1", "name": "XTP", "names": [ "XTP", "Xanthosine 5'-triphosphate" ] }, { "compound_id": "C00701", "inchi": null, "name": "Base", "names": [ "Base", "Base1", "Base2", "Nucleobase" ] }, { "compound_id": "C00703", "inchi": "InChI=1S/Hg/q+2", "name": "Mercury(2+)", "names": [ "Hg2+", "Mercuric ion", "Mercury(2+)" ] }, { "compound_id": "C00704", "inchi": "InChI=1S/HO2/c1-2/h1H/p-1", "name": "O2.-", "names": [ "O2-", "O2.-", "Superoxide anion" ] }, { "compound_id": "C00705", "inchi": "InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", "name": "dCDP", "names": [ "2'-Deoxycytidine 5'-diphosphate", "2'-Deoxycytidine diphosphate", "dCDP" ] }, { "compound_id": "C00706", "inchi": null, "name": "Amine", "names": [ "Amine", "Substituted amine" ] }, { "compound_id": "C00707", "inchi": null, "name": "Xylan", "names": [ "Xylan" ] }, { "compound_id": "C00708", "inchi": "InChI=1S/HI/h1H/p-1", "name": "Iodide", "names": [ "I-", "Iodide" ] }, { "compound_id": "C00711", "inchi": "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)", "name": "Malate", "names": [ "2-Hydroxybutanedioic acid", "Malate", "Malic acid" ] }, { "compound_id": "C00712", "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-", "name": "(9Z)-Octadecenoic acid", "names": [ "(9Z)-Octadecenoic acid", "(Z)-Octadec-9-enoic acid", "Oleate", "Oleic acid" ] }, { "compound_id": "C00713", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16?,17+,18-/m1/s1", "name": "Panose", "names": [ "Panose" ] }, { "compound_id": "C00714", "inchi": null, "name": "Pectin", "names": [ "Pectin", "Poly(1,4-alpha-D-galacturonide)" ] }, { "compound_id": "C00715", "inchi": "InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)", "name": "Pterin", "names": [ "2-Amino-4-hydroxypteridine", "2-Amino-4-oxopteridine", "Pterin" ] }, { "compound_id": "C00716", "inchi": "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)", "name": "DL-Serine", "names": [ "2-Amino-3-hydroxypropionic acid", "3-Hydroxyalanine", "DL-Serine", "Serine" ] }, { "compound_id": "C00717", "inchi": null, "name": "Alditol", "names": [ "Alditol", "Glycitol", "Sugar alcohol" ] }, { "compound_id": "C00718", "inchi": null, "name": "Amylose", "names": [ "(1,4-alpha-D-Glucosyl)n", "(1,4-alpha-D-Glucosyl)n+1", "(1,4-alpha-D-Glucosyl)n-1", "1,4-alpha-D-Glucan", "4-{(1,4)-alpha-D-Glucosyl}(n-1)-D-glucose", "Amylose", "Amylose chain" ] }, { "compound_id": "C00719", "inchi": "InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3", "name": "Betaine", "names": [ "Betaine", "Glycine betaine", "N,N,N-Trimethylglycine", "Trimethylaminoacetate", "Trimethylammonioacetate" ] }, { "compound_id": "C00720", "inchi": null, "name": "RBr", "names": [ "RBr" ] }, { "compound_id": "C00721", "inchi": null, "name": "Dextrin", "names": [ "Dextrin" ] }, { "compound_id": "C00722", "inchi": null, "name": "Epoxide", "names": [ "Alkene oxide", "Epoxide", "Olefin oxide", "Oxirane" ] }, { "compound_id": "C00723", "inchi": null, "name": "Insulin", "names": [ "Insulin" ] }, { "compound_id": "C00725", "inchi": "InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)", "name": "Lipoate", "names": [ "Lipoate", "Lipoic acid", "Thioctic acid", "alpha-Lipoic acid" ] }, { "compound_id": "C00726", "inchi": null, "name": "Nitrile", "names": [ "Nitrile", "R-CN" ] }, { "compound_id": "C00727", "inchi": "InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3", "name": "Orcinol", "names": [ "3,5-Dihydroxytoluene", "3,5-Toluenediol", "5-Methyl-1,3-benzenediol", "5-Methylresorcinol", "Orcinol" ] }, { "compound_id": "C00729", "inchi": "InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3", "name": "Tropine", "names": [ "3alpha-Tropanol", "Tropine" ] }, { "compound_id": "C00732", "inchi": "InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13-,14+/m1/s1", "name": "Ubenimex", "names": [ "Ubenimex" ] }, { "compound_id": "C00734", "inchi": "InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14?,15?,16-,17?,18?/m1/s1", "name": "Chitosan", "names": [ "Chitosan", "beta-1,4-Poly-D-glucosamine" ] }, { "compound_id": "C00735", "inchi": "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1", "name": "Cortisol", "names": [ "11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione", "4-pregnene-11,17,21-triol-3,20-dione", "Cortisol", "Hydrocortisone", "Kendall's compound F", "Reichstein's substance M" ] }, { "compound_id": "C00736", "inchi": "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)", "name": "Cysteine", "names": [ "2-Amino-3-mercaptopropionic acid", "Cysteine" ] }, { "compound_id": "C00737", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3?,4?,5?,6?/m1/s1", "name": "D-Aldose", "names": [ "D-Aldose", "D-Aldose1", "D-Aldose2" ] }, { "compound_id": "C00738", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2", "name": "D-Hexose", "names": [ "D-Hexose", "Hexose" ] }, { "compound_id": "C00739", "inchi": "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1", "name": "D-Lysine", "names": [ "D-2,6-Diaminohexanoic acid", "D-Lysine" ] }, { "compound_id": "C00740", "inchi": "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1", "name": "D-Serine", "names": [ "D-Serine" ] }, { "compound_id": "C00741", "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3", "name": "Diacetyl", "names": [ "2,3-Butanedione", "Biacetyl", "Diacetyl", "Dimethylglyoxal" ] }, { "compound_id": "C00742", "inchi": "InChI=1S/FH/h1H/p-1", "name": "Fluoride", "names": [ "F-", "Fluoride", "Fluoride ion" ] }, { "compound_id": "C00744", "inchi": "InChI=1S/C45H75NO17/c1-12-32-29(21-57-44-41(56-11)38(53)36(51)25(5)59-44)17-22(2)13-14-30(48)23(3)18-28(15-16-47)39(24(4)31(49)19-33(50)61-32)63-43-37(52)35(46(9)10)40(26(6)60-43)62-34-20-45(8,55)42(54)27(7)58-34/h13-14,16-17,23-29,31-32,34-44,49,51-55H,12,15,18-21H2,1-11H3/b14-13+,22-17+/t23-,24+,25-,26-,27+,28+,29-,31-,32-,34?,35-,36-,37-,38-,39?,40-,41-,42+,43?,44-,45-/m1/s1", "name": "Macrocin", "names": [ "Macrocin", "Tylosin C" ] }, { "compound_id": "C00745", "inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1", "name": "Nicotine", "names": [ "(S)-3-(1-methylpyrrolidin-2-yl)pyridine", "(S)-Nicotine", "Nicotine" ] }, { "compound_id": "C00746", "inchi": "InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1", "name": "Oxytocin", "names": [ "OT", "OXT", "Ocytocin", "Oxytocin" ] }, { "compound_id": "C00747", "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H", "name": "Pyridine", "names": [ "Azabenzene", "Pyridine" ] }, { "compound_id": "C00748", "inchi": "InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23-,24-,41+,42+;/m1./s1", "name": "Siroheme", "names": [ "Siroheme" ] }, { "compound_id": "C00750", "inchi": "InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2", "name": "Spermine", "names": [ "N,N'-Bis(3-aminopropyl)-1,4-butanediamine", "Spermine" ] }, { "compound_id": "C00751", "inchi": "InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+", "name": "Squalene", "names": [ "Spinacene", "Squalene", "Supraene" ] }, { "compound_id": "C00752", "inchi": null, "name": "Thrombin", "names": [ "Thrombin" ] }, { "compound_id": "C00753", "inchi": "InChI=1S/W", "name": "Tungsten", "names": [ "Tungsten" ] }, { "compound_id": "C00755", "inchi": "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3", "name": "4-Hydroxy-3-methoxy-benzaldehyde", "names": [ "4-Hydroxy-3-methoxy-benzaldehyde", "4-Hydroxy-3-methoxybenzaldehyde", "Vanillaldehyde", "Vanillin" ] }, { "compound_id": "C00756", "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", "name": "1-Octanol", "names": [ "1-Octanol" ] }, { "compound_id": "C00757", "inchi": "InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1", "name": "Berberine", "names": [ "Berberine", "Umbellatine" ] }, { "compound_id": "C00758", "inchi": "InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H", "name": "Bergaptol", "names": [ "5-Hydroxyfuranocoumarin", "5-Hydroxypsoralen", "Bergaptol" ] }, { "compound_id": "C00759", "inchi": null, "name": "Caldesmon", "names": [ "Caldesmon" ] }, { "compound_id": "C00760", "inchi": null, "name": "Cellulose", "names": [ "(1,4-beta-D-Glucosyl)n", "(1,4-beta-D-Glucosyl)n+1", "(1,4-beta-D-Glucosyl)n-1", "1,4-beta-D-Glucan", "Cellulose", "Microcrystalline cellulose" ] }, { "compound_id": "C00761", "inchi": "InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1", "name": "Coniferin", "names": [ "Coniferin" ] }, { "compound_id": "C00762", "inchi": "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1", "name": "Cortisone", "names": [ "17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione", "Cortisone", "Kendall's compound E", "Reichstein's substance Fa" ] }, { "compound_id": "C00763", "inchi": "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1", "name": "D-Proline", "names": [ "D-Proline" ] }, { "compound_id": "C00764", "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m1/s1", "name": "D-Sorbose", "names": [ "D-Sorbose", "D-xylo-Hexulose" ] }, { "compound_id": "C00765", "inchi": "InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19?,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30+,31-,32+,33-,34+,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45+,46-,47-,48?,49-,50+,51-,52?,53-,54+,55-,56+/m0/s1", "name": "Digitonin", "names": [ "Digitonin" ] }, { "compound_id": "C00766", "inchi": "InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2", "name": "Flavanone", "names": [ "2,3-Dihydroflavone", "Flavanone" ] }, { "compound_id": "C00768", "inchi": "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)", "name": "Histidine", "names": [ "DL-Histidine", "Histidine", "alpha-Amino-1H-imidazole-4-propionic acid" ] }, { "compound_id": "C00770", "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)", "name": "L-Idonate", "names": [ "L-Idonate" ] }, { "compound_id": "C00771", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17+,18+/m1/s1", "name": "Laminarin", "names": [ "Laminaran", "Laminarin" ] }, { "compound_id": "C00772", "inchi": "InChI=1S/C6H10O4/c1-6(9)2-4(7)10-5(8)3-6/h4,7,9H,2-3H2,1H3", "name": "Mevaldate", "names": [ "Mevaldate", "Mevaldic acid" ] }, { "compound_id": "C00773", "inchi": "InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23?,24?,25?,26?,30-,31-/m0/s1", "name": "Pepstatin", "names": [ "Pepstatin" ] }, { "compound_id": "C00774", "inchi": "InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2", "name": "Phloretin", "names": [ "Phloretin" ] }, { "compound_id": "C00775", "inchi": null, "name": "Porphyran", "names": [ "Porphyran" ] }, { "compound_id": "C00777", "inchi": "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+", "name": "Retinoate", "names": [ "(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid", "3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL)", "AGN 100335", "Acide retinoique (French) (DSL)", "Retinoate", "Retinoic acid", "Ro 1-5488", "Tretin M", "Tretinoine (French) (EINECS)", "Vitamin A acid", "all-(E)-Retinoic acid", "all-trans-Retinoate", "all-trans-Retinoic acid", "all-trans-Tretinoin", "all-trans-Vitamin A acid", "all-trans-Vitamin A1 acid", "all-trans-beta-Retinoic acid", "beta-Retinoic acid", "trans-Retinoic acid" ] }, { "compound_id": "C00778", "inchi": null, "name": "Rhodopsin", "names": [ "Rhodopsin", "Visual purple" ] }, { "compound_id": "C00779", "inchi": "InChI=1S/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2/t7-/m0/s1", "name": "Scytalone", "names": [ "3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone", "Scytalone" ] }, { "compound_id": "C00780", "inchi": "InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2", "name": "Serotonin", "names": [ "3-(2-Aminoethyl)-1H-indol-5-ol", "5-Hydroxytryptamine", "Enteramine", "Serotonin" ] }, { "compound_id": "C00783", "inchi": "InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3", "name": "Tropinone", "names": [ "3-Tropanone", "Tropinone" ] }, { "compound_id": "C00785", "inchi": "InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+", "name": "Urocanate", "names": [ "Urocanate", "Urocanic acid" ] }, { "compound_id": "C00786", "inchi": "InChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3/t13-/m0/s1", "name": "(-)-Vestitone", "names": [ "(-)-Vestitone", "Vestitone" ] }, { "compound_id": "C00787", "inchi": null, "name": "tRNA(Tyr)", "names": [ "tRNA(Tyr)", "tRNA-tyr", "trna-tyr" ] }, { "compound_id": "C00788", "inchi": "InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1", "name": "L-Adrenaline", "names": [ "(R)-(-)-Adnephrine", "(R)-(-)-Adrenaline", "(R)-(-)-Epinephrine", "(R)-(-)-Epirenamine", "4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol", "L-Adrenaline" ] }, { "compound_id": "C00789", "inchi": "InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1", "name": "CDP-ribitol", "names": [ "CDP 5-ester with D-ribitol", "CDP-L-ribitol", "CDP-ribitol" ] }, { "compound_id": "C00791", "inchi": "InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)", "name": "Creatinine", "names": [ "1-Methylglycocyamidine", "Creatinine" ] }, { "compound_id": "C00792", "inchi": "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1", "name": "D-Arginine", "names": [ "D-2-Amino-5-guanidinovaleric acid", "D-Arginine" ] }, { "compound_id": "C00793", "inchi": "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1", "name": "D-Cysteine", "names": [ "D-Amino-3-mercaptopropionic acid", "D-Cysteine" ] }, { "compound_id": "C00794", "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1", "name": "D-Sorbitol", "names": [ "D-Glucitol", "D-Sorbitol", "L-Gulitol", "Sorbitol" ] }, { "compound_id": "C00795", "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1", "name": "D-Tagatose", "names": [ "D-Tagatose", "lyxo-Hexulose" ] }, { "compound_id": "C00796", "inchi": "InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2", "name": "Dicumarol", "names": [ "Dicoumarol", "Dicumarol" ] }, { "compound_id": "C00797", "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3", "name": "Ethylamine", "names": [ "Ethylamine" ] }, { "compound_id": "C00798", "inchi": "InChI=1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17?,21-/m1/s1", "name": "Formyl-CoA", "names": [ "Formyl-CoA" ] }, { "compound_id": "C00799", "inchi": "InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H", "name": "Isoflavone", "names": [ "Isoflavone" ] }, { "compound_id": "C00800", "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)", "name": "L-Gulonate", "names": [ "Gulonate", "Gulonic acid", "L-Gulonate", "L-Gulonic acid" ] }, { "compound_id": "C00801", "inchi": null, "name": "Nucleoside", "names": [ "Nucleoside" ] }, { "compound_id": "C00802", "inchi": "InChI=1S/C3H4N2O4/c4-3(9)5-1(6)2(7)8/h(H,7,8)(H3,4,5,6,9)", "name": "Oxalureate", "names": [ "Monooxalylurea", "Oxalurate", "Oxalureate", "Oxaluric acid" ] }, { "compound_id": "C00803", "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)", "name": "Pentanoate", "names": [ "Pentanoate", "Pentanoic acid", "Valerate", "Valerianic acid", "Valeric acid", "n-Pentanoate", "n-Valeric acid" ] }, { "compound_id": "C00804", "inchi": "InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)", "name": "Propynoate", "names": [ "Acetylenecarboxylic acid", "Acetylenemonocarboxylate", "Propiolic acid", "Propynoate" ] }, { "compound_id": "C00805", "inchi": "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)", "name": "Salicylate", "names": [ "Salicylate", "Salicylic acid", "o-Hydroxybenzoic acid" ] }, { "compound_id": "C00806", "inchi": "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)", "name": "Tryptophan", "names": [ "Tryptophan", "alpha-Amino-beta-(3-indolyl)-propionic acid" ] }, { "compound_id": "C00807", "inchi": null, "name": "Xyloglucan", "names": [ "Xyloglucan" ] }, { "compound_id": "C00808", "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10-/m0/s1", "name": "(+)-Camphor", "names": [ "(+)-Camphor", "d-Camphor" ] }, { "compound_id": "C00809", "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3", "name": "(-)-Camphor", "names": [ "(-)-Camphor" ] }, { "compound_id": "C00810", "inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1", "name": "(R)-Acetoin", "names": [ "(R)-2-Acetoin", "(R)-3-Hydroxy-2-butanone", "(R)-3-Hydroxybutan-2-one", "(R)-Acetoin", "(R)-Dimethylketol" ] }, { "compound_id": "C00811", "inchi": "InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+", "name": "4-Coumarate", "names": [ "4-Coumarate", "4-Hydroxycinnamate", "4-Hydroxycinnamic acid", "p-Coumaric acid", "trans-4-Hydroxycinnamate", "trans-p-Hydroxycinnamate" ] }, { "compound_id": "C00812", "inchi": null, "name": "Alkyl thiol", "names": [ "Alkyl thiol" ] }, { "compound_id": "C00813", "inchi": "InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)", "name": "Barbiturate", "names": [ "Barbiturate", "Barbituric acid", "Malonylurea" ] }, { "compound_id": "C00814", "inchi": "InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3", "name": "Biochanin A", "names": [ "Biochanin A" ] }, { "compound_id": "C00815", "inchi": "InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)", "name": "Citramalate", "names": [ "2-Methylmalic acid", "Citramalate", "Citramalic acid", "alpha-Hydroxypyrotartaric acid" ] }, { "compound_id": "C00816", "inchi": null, "name": "Collagenase", "names": [ "Collagenase" ] }, { "compound_id": "C00817", "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4-,5+/m1/s1", "name": "D-Altronate", "names": [ "D-Altronate" ] }, { "compound_id": "C00818", "inchi": "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1", "name": "D-Glucarate", "names": [ "D-Glucarate", "D-Glucaric acid", "D-Glucosaccharic acid", "D-Saccharic acid", "Glucarate", "Glucaric acid", "L-Gularic acid" ] }, { "compound_id": "C00819", "inchi": "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1", "name": "D-Glutamine", "names": [ "D-2-Aminoglutaramic acid", "D-Glutamine" ] }, { "compound_id": "C00820", "inchi": "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1", "name": "D-Threonine", "names": [ "D-2-Amino-3-hydroxybutyric acid", "D-Threonine" ] }, { "compound_id": "C00821", "inchi": null, "name": "DNA adenine", "names": [ "DNA adenine" ] }, { "compound_id": "C00822", "inchi": "InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1", "name": "Dopaquinone", "names": [ "Dopaquinone" ] }, { "compound_id": "C00823", "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3", "name": "1-Hexadecanol", "names": [ "1-Hexadecanol", "16-Hexadecanol", "Cetyl alcohol", "Hexadecanol", "Palmityl alcohol" ] }, { "compound_id": "C00824", "inchi": null, "name": "Iron-sulfur", "names": [ "Iron-sulfur", "Iron-sulfur cluster" ] }, { "compound_id": "C00825", "inchi": "InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1", "name": "Kanamycin B", "names": [ "Bekanamycin", "Kanamycin B", "Nebramycin factor 5" ] }, { "compound_id": "C00826", "inchi": "InChI=1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/t6?,7-,10?/m0/s1", "name": "L-Arogenate", "names": [ "L-Arogenate", "L-Arogenic acid", "Pretyrosine" ] }, { "compound_id": "C00827", "inchi": "InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12?,13-,16-,17-,18?,22-/m1/s1", "name": "Lactoyl-CoA", "names": [ "Lactoyl-CoA" ] }, { "compound_id": "C00828", "inchi": "InChI=1S/C21H24O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+", "name": "Menaquinone", "names": [ "Menaquinone", "Vitamin K2" ] }, { "compound_id": "C00829", "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H", "name": "Naphthalene", "names": [ "Naphthalene" ] }, { "compound_id": "C00830", "inchi": "InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)", "name": "Oxomalonate", "names": [ "Ketomalonic acid", "Mesoxalic acid", "Oxomalonate", "Oxomalonic acid" ] }, { "compound_id": "C00831", "inchi": "InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1", "name": "Pantetheine", "names": [ "(R)-Pantetheine", "Pantetheine" ] }, { "compound_id": "C00832", "inchi": "InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", "name": "Paromomycin", "names": [ "Aminosidin", "Catenulin", "Hydroxymycin", "Monomycin A", "Neomycin E", "Paromomycin", "Paromomycin I", "Zygomycin A1" ] }, { "compound_id": "C00835", "inchi": "InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1", "name": "Sepiapterin", "names": [ "Sepiapterin" ] }, { "compound_id": "C00836", "inchi": "InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1", "name": "Sphinganine", "names": [ "2-Amino-1,3-dihydroxyoctadecane", "Dihydrosphingosine", "Sphinganine" ] }, { "compound_id": "C00837", "inchi": "InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/t1-,2+,3-,4+,5-,6-", "name": "Streptidine", "names": [ "Streptidine" ] }, { "compound_id": "C00839", "inchi": null, "name": "Tropomyosin", "names": [ "Tropomyosin", "Tropomyosin serine", "Unphosphorylated tropomyosin" ] }, { "compound_id": "C00840", "inchi": null, "name": "Vasopressin", "names": [ "ADH", "Antidiuretic hormone", "VP", "Vasopressin" ] }, { "compound_id": "C00841", "inchi": "InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H", "name": "Xanthotoxol", "names": [ "8-Hydroxyfuranocoumarin", "8-Hydroxypsoralen", "Xanthotoxol" ] }, { "compound_id": "C00842", "inchi": "InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1", "name": "dTDP-glucose", "names": [ "dTDP-D-glucose", "dTDP-alpha-D-glucose", "dTDP-glucose", "dtdpglucose" ] }, { "compound_id": "C00843", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1", "name": "(-)-Menthone", "names": [ "(-)-Menthone", "l-Menthone", "p-Menthan-3-one" ] }, { "compound_id": "C00844", "inchi": "InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14?/m1/s1", "name": "(R)-Prunasin", "names": [ "(R)-Prunasin" ] }, { "compound_id": "C00845", "inchi": "InChI=1S/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-13,15,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20?,24-/m1/s1", "name": "2-Furoyl-CoA", "names": [ "2-Furoyl-CoA" ] }, { "compound_id": "C00846", "inchi": "InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)", "name": "3-Oxoadipate", "names": [ "3-Keto-adipate", "3-Oxoadipate", "3-Oxoadipic acid" ] }, { "compound_id": "C00847", "inchi": "InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)", "name": "4-Pyridoxate", "names": [ "4-Pyridoxate", "4-Pyridoxic acid" ] }, { "compound_id": "C00848", "inchi": "InChI=1S/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3", "name": "6-Oxocineole", "names": [ "(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one", "6-Oxocineole" ] }, { "compound_id": "C00849", "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3", "name": "Ethyl acetate", "names": [ "Ethyl acetate" ] }, { "compound_id": "C00850", "inchi": "InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)", "name": "Aryl sulfate", "names": [ "Aryl sulfate" ] }, { "compound_id": "C00852", "inchi": "InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1", "name": "Chlorogenate", "names": [ "Caffeoyl quinic acid", "Chlorogenate", "Chlorogenic acid", "trans-5-O-Caffeoyl-D-quinate" ] }, { "compound_id": "C00853", "inchi": "InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+1/p-1/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;/m1./s1", "name": "Cob(I)alamin", "names": [ "Cbl", "Cob(I)alamin", "Vitamin B12s" ] }, { "compound_id": "C00854", "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2", "name": "Cyclohexanol", "names": [ "Cyclohexan-1-ol", "Cyclohexanol", "Hexahydrophenol", "Hexalin" ] }, { "compound_id": "C00855", "inchi": "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1", "name": "D-Methionine", "names": [ "D-2-Amino-4-(methylthio)butyric acid", "D-Methionine" ] }, { "compound_id": "C00856", "inchi": null, "name": "DNA cytosine", "names": [ "Cytosine (in DNA)", "DNA cytosine" ] }, { "compound_id": "C00857", "inchi": "InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1", "name": "Deamino-NAD+", "names": [ "Deamido-NAD", "Deamido-NAD+", "Deamino-NAD+", "desamino nad" ] }, { "compound_id": "C00858", "inchi": "InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3", "name": "Formononetin", "names": [ "Formononetin" ] }, { "compound_id": "C00859", "inchi": "InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1", "name": "Gibberellin A1", "names": [ "Gibberellin 1", "Gibberellin A1" ] }, { "compound_id": "C00860", "inchi": "InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1", "name": "L-Histidinol", "names": [ "L-Histidinol" ] }, { "compound_id": "C00861", "inchi": "InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5-,6-/m0/s1", "name": "L-Rhamnulose", "names": [ "L-Rhamnulose" ] }, { "compound_id": "C00862", "inchi": "InChI=1S/C34H44N4O15/c35-16-22-15-20(18-53-22)17-52-21-3-1-19(2-4-21)13-14-36-27(39)10-7-25(33(48)49)38-29(41)11-8-26(34(50)51)37-28(40)9-5-23(31(44)45)24(32(46)47)6-12-30(42)43/h1-4,15,18,23-26H,5-14,16-17,35H2,(H,36,39)(H,37,40)(H,38,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t23?,24?,25-,26-/m0/s1", "name": "Methanofuran", "names": [ "Carbon dioxide reduction factor", "Methanofuran" ] }, { "compound_id": "C00863", "inchi": null, "name": "Monoterpenol", "names": [ "Monoterpenol" ] }, { "compound_id": "C00864", "inchi": "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1", "name": "Pantothenate", "names": [ "(R)-Pantothenate", "Pantothenate", "Pantothenic acid" ] }, { "compound_id": "C00865", "inchi": null, "name": "Phospholipid", "names": [ "Phospholipid" ] }, { "compound_id": "C00868", "inchi": null, "name": "tRNA uridine", "names": [ "tRNA uridine" ] }, { "compound_id": "C00869", "inchi": "InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2-16H2,1H3,(H,20,21)", "name": "2-Oxooctadecanoic acid", "names": [ "2-Oxooctadecanoic acid", "2-Oxostearate" ] }, { "compound_id": "C00870", "inchi": "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H", "name": "4-Nitrophenol", "names": [ "4-Hydroxynitrobenzene", "4-Nitrophenol", "Niphen", "PNP", "p-Nitrophenol" ] }, { "compound_id": "C00871", "inchi": null, "name": "Alkylated DNA", "names": [ "Alkylated DNA" ] }, { "compound_id": "C00872", "inchi": "InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)", "name": "Aminomalonate", "names": [ "2-Aminomalonic acid", "Aminomalonate", "Aminomalonic acid" ] }, { "compound_id": "C00873", "inchi": "InChI=1S/C62H89N17O14/c1-7-35(6)51(78-56(87)44(25-37-17-19-40(80)20-18-37)74-58(89)50(34(4)5)77-53(84)42(15-11-21-68-62(64)65)71-52(83)41(63)28-49(81)82)59(90)75-46(27-39-30-67-32-70-39)60(91)79-22-12-16-48(79)57(88)73-43(24-36-13-9-8-10-14-36)54(85)72-45(26-38-29-66-31-69-38)55(86)76-47(61(92)93)23-33(2)3/h8-10,13-14,17-20,29-35,41-48,50-51,80H,7,11-12,15-16,21-28,63H2,1-6H3,(H,66,69)(H,67,70)(H,71,83)(H,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,84)(H,78,87)(H,81,82)(H,92,93)(H4,64,65,68)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-/m0/s1", "name": "Angiotensin I", "names": [ "Angiotensin I" ] }, { "compound_id": "C00875", "inchi": null, "name": "Cephalosporin", "names": [ "Cephalosporin" ] }, { "compound_id": "C00876", "inchi": "InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,35-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1", "name": "Coenzyme F420", "names": [ "Coenzyme F420" ] }, { "compound_id": "C00877", "inchi": "InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20?,24-/m1/s1", "name": "Crotonoyl-CoA", "names": [ "2-Butenoyl-CoA", "But-2-enoyl-CoA", "Crotonoyl-CoA", "Crotonyl-CoA", "cis-but-2-enoyl-coa", "trans-But-2-enoyl-CoA", "trans-but-2-enoyl-coenzyme a" ] }, { "compound_id": "C00878", "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1", "name": "D-Arabinonate", "names": [ "D-Arabinonate", "D-Arabinonic acid" ] }, { "compound_id": "C00879", "inchi": "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-", "name": "D-Galactarate", "names": [ "D-Galactarate", "D-Galactaric acid", "D-Mucic acid", "Galactarate", "Galactaric acid", "Mucic acid" ] }, { "compound_id": "C00880", "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1", "name": "D-Galactonate", "names": [ "D-Galactonate", "D-Galactonic acid" ] }, { "compound_id": "C00881", "inchi": "InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1", "name": "Deoxycytidine", "names": [ "2'-Deoxycytidine", "Deoxycytidine" ] }, { "compound_id": "C00882", "inchi": "InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1", "name": "Dephospho-CoA", "names": [ "3'-Dephospho-CoA", "Dephospho-CoA", "Dephosphocoenzyme A" ] }, { "compound_id": "C00883", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11-,12+,13-,14+,15?,16-,17+,18?/m1/s1", "name": "Galactomannan", "names": [ "Galactomannan", "Galactomannoglycan" ] }, { "compound_id": "C00884", "inchi": "InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1", "name": "Homocarnosine", "names": [ "Homocarnosine", "L-Homocarnosine", "N-(4-Amino-1-oxobutyryl)histidine", "gamma-Aminobutyryl histidine" ] }, { "compound_id": "C00885", "inchi": "InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1", "name": "Isochorismate", "names": [ "Isochorismate", "Isochorismic acid" ] }, { "compound_id": "C00886", "inchi": null, "name": "L-Alanyl-tRNA", "names": [ "L-Alanyl-tRNA", "L-Alanyl-tRNA(Ala)" ] }, { "compound_id": "C00887", "inchi": "InChI=1S/N2O/c1-2-3", "name": "Nitrous oxide", "names": [ "Dinitrogen monoxide", "Dinitrogen oxide", "N2O", "Nitrous oxide" ] }, { "compound_id": "C00888", "inchi": "InChI=1S/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1", "name": "Pentanoyl-CoA", "names": [ "Pentanoyl-CoA", "Valeryl-coenzyme A" ] }, { "compound_id": "C00889", "inchi": null, "name": "Peptidoglycan", "names": [ "Mucopeptide", "Murein", "Peptideglycan", "Peptidoglycan" ] }, { "compound_id": "C00891", "inchi": "InChI=1S/C21H34O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h14-19H,3-13H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1", "name": "Pregnan-21-al", "names": [ "Pregnan-21-al" ] }, { "compound_id": "C00892", "inchi": "InChI=1S/C21H36O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h15-19,22H,3-14H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1", "name": "Pregnan-21-ol", "names": [ "5-beta-Pregnan-21-ol", "Pregnan-21-ol" ] }, { "compound_id": "C00893", "inchi": null, "name": "Primary monoamine", "names": [ "Primary amine", "Primary monoamine" ] }, { "compound_id": "C00894", "inchi": "InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19?,23-/m1/s1", "name": "Propenoyl-CoA", "names": [ "Acryloyl-CoA", "Acrylyl-CoA", "Propenoyl-CoA" ] }, { "compound_id": "C00895", "inchi": "InChI=1S/C30H37N15O16P2/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(58-28)2-55-62(51,52)61-21-12(59-30(19(21)50)45-9-42-15-24(33)36-6-39-27(15)45)3-56-63(53,54)60-20-10(1-46)57-29(18(20)49)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-50H,1-3H2,(H,51,52)(H,53,54)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1", "name": "RNA (poly(A))", "names": [ "Poly(A)", "Polyadenylic acid", "RNA (poly(A))" ] }, { "compound_id": "C00896", "inchi": "InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1", "name": "Tos-Lys-CH2Cl", "names": [ "Tos-Lys-CH2Cl" ] }, { "compound_id": "C00897", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1", "name": "alpha-Maltose", "names": [ "alpha-Malt sugar", "alpha-Maltose" ] }, { "compound_id": "C00898", "inchi": "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1", "name": "(R,R)-Tartaric acid", "names": [ "(+)-Tartaric acid", "(2R,3R)-Tartaric acid", "(R,R)-Tartaric acid", "(R,R)-Tartrate", "2,3-Dihydroxybutanedioic acid", "L-Tartaric acid", "Tartaric acid", "Tartrate" ] }, { "compound_id": "C00899", "inchi": "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6-,12-11+,16-8+,17-13+", "name": "11-cis-Retinol", "names": [ "11-cis-Retinol" ] }, { "compound_id": "C00900", "inchi": "InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)", "name": "2-Acetolactate", "names": [ "2-Acetolactate", "alpha-Acetolactic acid" ] }, { "compound_id": "C00902", "inchi": "InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)", "name": "2-Oxohexanoic acid", "names": [ "2-Oxohexanoate", "2-Oxohexanoic acid", "alpha-Ketocaproic acid" ] }, { "compound_id": "C00903", "inchi": "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+", "name": "Cinnamaldehyde", "names": [ "Cinnamaldehyde" ] }, { "compound_id": "C00904", "inchi": "InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19?,23-,26?/m1/s1", "name": "Citramalyl-CoA", "names": [ "Citramalyl-CoA" ] }, { "compound_id": "C00905", "inchi": "InChI=1S/C6H10O7/c7-1-6(12)4(9)2(8)3(13-6)5(10)11/h2-4,7-9,12H,1H2,(H,10,11)/t2-,3+,4+,6?/m1/s1", "name": "D-Fructuronate", "names": [ "D-Fructuronate", "D-Fructuronic acid" ] }, { "compound_id": "C00906", "inchi": "InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)", "name": "5,6-Dihydrothymine", "names": [ "5,6-Dihydro-5-methyluracil", "5,6-Dihydrothymine", "Dihydrothymine" ] }, { "compound_id": "C00908", "inchi": "InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1", "name": "Gentamicin C1a", "names": [ "Gentamicin C1a" ] }, { "compound_id": "C00909", "inchi": "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1", "name": "Leukotriene A4", "names": [ "(5S,6S,7E,9E,11Z,14Z)-5,6-Epoxyicosa-7,9,11,14-tetraenoate", "(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoate", "(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoic acid", "(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyicosa-7,9,11,14-tetraenoate", "LTA4", "Leukotriene A4" ] }, { "compound_id": "C00911", "inchi": null, "name": "Ribonucleoside", "names": [ "Ribonucleoside" ] }, { "compound_id": "C00912", "inchi": null, "name": "alpha-D-Glucan", "names": [ "alpha-D-Glucan" ] }, { "compound_id": "C00913", "inchi": "InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3", "name": "3-Methyladenine", "names": [ "3-Methyladenine" ] }, { "compound_id": "C00915", "inchi": "InChI=1S/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2", "name": "Benzyl viologen", "names": [ "Benzyl viologen" ] }, { "compound_id": "C00916", "inchi": "InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1", "name": "Cephalosporin C", "names": [ "Cephalosporin C" ] }, { "compound_id": "C00917", "inchi": null, "name": "Chelating agent", "names": [ "Chelating agent", "Metal chelator" ] }, { "compound_id": "C00918", "inchi": "InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1", "name": "Chloramphenicol", "names": [ "Chloramphenicol" ] }, { "compound_id": "C00919", "inchi": "InChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3", "name": "Choline sulfate", "names": [ "Choline sulfate" ] }, { "compound_id": "C00920", "inchi": "InChI=1S/C31H51N10O22P3S2/c1-31(2,24(47)28(49)35-6-5-18(42)34-7-8-67-68-11-16(27(48)36-9-20(44)45)40-19(43)4-3-15(32)30(50)51)12-60-66(57,58)63-65(55,56)59-10-17-23(62-64(52,53)54)22(46)29(61-17)41-14-39-21-25(33)37-13-38-26(21)41/h13-17,22-24,29,46-47H,3-12,32H2,1-2H3,(H,34,42)(H,35,49)(H,36,48)(H,40,43)(H,44,45)(H,50,51)(H,55,56)(H,57,58)(H2,33,37,38)(H2,52,53,54)/t15-,16-,17+,22+,23+,24?,29+/m0/s1", "name": "CoA-glutathione", "names": [ "CoA-glutathione", "Coenzyme A-glutathione mixed disulfide" ] }, { "compound_id": "C00921", "inchi": "InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)", "name": "Dihydropteroate", "names": [ "7,8-Dihydropteroate", "Dihydropteroate" ] }, { "compound_id": "C00922", "inchi": "InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10)/b4-3-", "name": "2,3-Dimethylmaleate", "names": [ "2,3-Dimethylmaleate", "Dimethylmaleate", "Dimethylmaleic acid", "dimethylmaleate" ] }, { "compound_id": "C00923", "inchi": null, "name": "Ferricytochrome", "names": [ "Ferricytochrome" ] }, { "compound_id": "C00924", "inchi": null, "name": "Ferrocytochrome", "names": [ "Ferrocytochrome" ] }, { "compound_id": "C00925", "inchi": null, "name": "Heparan sulfate", "names": [ "Heparan sulfate", "Heparin monosulfate", "Heparin sulfate", "Heparitin sulfate" ] }, { "compound_id": "C00927", "inchi": "InChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/b26-18-/t16-,17-,19+/m0/s1", "name": "Isonocardicin A", "names": [ "1-Azetidineacetic acid", "Isonocardicin A" ] }, { "compound_id": "C00928", "inchi": "InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2", "name": "Mercaptoethanol", "names": [ "2-Mercaptoethanol", "Mercaptoethanol", "Thioglycol" ] }, { "compound_id": "C00929", "inchi": null, "name": "Oligonucleotide", "names": [ "Oligonucleotide" ] }, { "compound_id": "C00930", "inchi": null, "name": "Oligosaccharide", "names": [ "Oligosaccharide" ] }, { "compound_id": "C00931", "inchi": "InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)", "name": "Porphobilinogen", "names": [ "Porphobilinogen" ] }, { "compound_id": "C00933", "inchi": "InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1", "name": "Sinapine", "names": [ "Sinapine", "Sinapoylcholine" ] }, { "compound_id": "C00934", "inchi": null, "name": "Sugar phosphate", "names": [ "Sugar phosphate" ] }, { "compound_id": "C00935", "inchi": "InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12?,13+/m0/s1", "name": "UDP-L-arabinose", "names": [ "UDP-L-arabinopyranose", "UDP-L-arabinose", "UDP-beta-L-arabinopyranose" ] }, { "compound_id": "C00936", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1", "name": "alpha-D-Mannose", "names": [ "alpha-D-Mannose" ] }, { "compound_id": "C00937", "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1", "name": "(R)-Lactaldehyde", "names": [ "(R)-Lactaldehyde", "D-2-Hydroxypropionaldehyde", "D-Lactaldehyde" ] }, { "compound_id": "C00938", "inchi": null, "name": "1,3-beta-D-Xylan", "names": [ "1,3-beta-D-Xylan" ] }, { "compound_id": "C00939", "inchi": "InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1", "name": "2-Aminoadenosine", "names": [ "2-Aminoadenosine" ] }, { "compound_id": "C00940", "inchi": "InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10)", "name": "2-Oxoglutaramate", "names": [ "2-Ketoglutaramate", "2-Oxoglutaramate", "2-Oxoglutaramic acid", "alpha-Ketoglutaramate" ] }, { "compound_id": "C00941", "inchi": "InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1", "name": "3',5'-Cyclic CMP", "names": [ "3',5'-Cyclic CMP", "Cytidine 3',5'-cyclic monophosphate" ] }, { "compound_id": "C00942", "inchi": "InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1", "name": "3',5'-Cyclic GMP", "names": [ "3',5'-Cyclic GMP", "Cyclic GMP", "Guanosine 3',5'-cyclic monophosphate", "Guanosine 3',5'-cyclic phosphate", "cGMP", "guanosine 3 ',5 '-cyclic phosphate", "guanosine 3':5'-(cyclic)phosphate" ] }, { "compound_id": "C00943", "inchi": "InChI=1S/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1", "name": "3',5'-Cyclic IMP", "names": [ "3',5'-Cyclic IMP", "Inosine 3',5'-cyclic monophosphate", "inosine 3':5'-(cyclic)phosphate" ] }, { "compound_id": "C00944", "inchi": "InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1", "name": "3-Dehydroquinate", "names": [ "3-Dehydroquinate", "3-Dehydroquinic acid", "5-Dehydroquinate", "5-Dehydroquinic acid" ] }, { "compound_id": "C00946", "inchi": "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "Adenosine 2'-phosphate", "names": [ "2'-Adenylic acid", "AMP 2'-phosphate", "Adenosine 2'-phosphate", "Adenosine-2'-monophosphate" ] }, { "compound_id": "C00949", "inchi": null, "name": "Cytochrome c-552", "names": [ "Cytochrome c-552" ] }, { "compound_id": "C00950", "inchi": "InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+", "name": "Dithioerythritol", "names": [ "DTE", "Dithioerythritol", "erythro-1,4-Dimercapto-2,3-butanediol" ] }, { "compound_id": "C00951", "inchi": "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1", "name": "Estradiol-17beta", "names": [ "Estradiol", "Estradiol-17", "Estradiol-17beta", "beta-Estradiol", "estradiol-17" ] }, { "compound_id": "C00952", "inchi": null, "name": "Fibrinopeptide A", "names": [ "Fibrinopeptide A" ] }, { "compound_id": "C00954", "inchi": "InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)", "name": "Indole-3-acetate", "names": [ "(Indol-3-yl)acetate", "IAA", "Indole-3-acetate", "Indole-3-acetic acid", "Indoleacetate", "Indoleacetic acid" ] }, { "compound_id": "C00955", "inchi": "InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2", "name": "Indole-3-ethanol", "names": [ "Indole-3-ethanol", "Tryptophol" ] }, { "compound_id": "C00956", "inchi": "InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1", "name": "L-2-Aminoadipate", "names": [ "L-2-Aminoadipate", "L-2-Aminoadipic acid", "L-2-Aminohexanedioate", "L-alpha-Aminoadipate", "L-alpha-Aminoadipic acid" ] }, { "compound_id": "C00957", "inchi": "InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)", "name": "Mercaptopyruvate", "names": [ "3-Mercaptopyruvate", "3-Mercaptopyruvic acid", "Mercaptopyruvate" ] }, { "compound_id": "C00958", "inchi": null, "name": "Plasmenylcholine", "names": [ "1-Alkenyl-2-acylglycerophosphocholine", "2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphocholine", "Choline plasmalogen", "Plasmenylcholine" ] }, { "compound_id": "C00959", "inchi": "InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1", "name": "Prostaglandin B1", "names": [ "PGB1", "Prostaglandin B1" ] }, { "compound_id": "C00960", "inchi": null, "name": "RNA 5'-phosphate", "names": [ "RNA 5'-phosphate" ] }, { "compound_id": "C00961", "inchi": "InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1", "name": "Sterigmatocystin", "names": [ "Sterigmatocystin" ] }, { "compound_id": "C00962", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1", "name": "beta-D-Galactose", "names": [ "beta-D-Galactose" ] }, { "compound_id": "C00963", "inchi": null, "name": "beta-D-Glucoside", "names": [ "beta-D-Glucoside" ] }, { "compound_id": "C00964", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1", "name": "(-)-trans-Carveol", "names": [ "(-)-trans-Carveol" ] }, { "compound_id": "C00965", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1", "name": "(1->3)-beta-D-glucan", "names": [ "(1->3)-beta-D-glucan" ] }, { "compound_id": "C00966", "inchi": "InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)", "name": "2-Dehydropantoate", "names": [ "2-Dehydropantoate" ] }, { "compound_id": "C00968", "inchi": "InChI=1S/C10H12N5O5P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5-6(19-7)2-18-21(16,17)20-5/h3-7H,1-2H2,(H,16,17)(H2,11,12,13)/t5-,6+,7+/m0/s1", "name": "3',5'-Cyclic dAMP", "names": [ "2'-deoxyadenosine 3':5'-(cyclic)phosphate", "3',5'-Cyclic dAMP" ] }, { "compound_id": "C00969", "inchi": "InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2", "name": "3-Hydroxypropanal", "names": [ "3-Hydroxypropanal" ] }, { "compound_id": "C00971", "inchi": "InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3", "name": "4-Pyridoxolactone", "names": [ "4-Pyridoxic acid lactone", "4-Pyridoxolactone" ] }, { "compound_id": "C00972", "inchi": null, "name": "Aromatic oxo acid", "names": [ "Aromatic oxo acid" ] }, { "compound_id": "C00973", "inchi": "InChI=1S/C24H40O20/c1-5-9(28)19-24(44-35)43-20(5)39-16-6(2-25)36-21(13(32)10(16)29)40-17-7(3-26)37-22(14(33)11(17)30)41-18-8(4-27)38-23(42-19)15(34)12(18)31/h5-35H,2-4H2,1H3/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1", "name": "Cyclomaltodextrin", "names": [ "Cyclomaltodextrin" ] }, { "compound_id": "C00974", "inchi": "InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1", "name": "Dihydrokaempferol", "names": [ "(+)-Aromadendrin", "(+)-Dihydrokaempferol", "Aromadendrin", "Dihydrokaempferol" ] }, { "compound_id": "C00975", "inchi": "InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5-6H,(H,7,8)(H,9,10)/b2-1+", "name": "Dihydroxyfumarate", "names": [ "(e)-dihydroxyfumarate", "Dihydroxyfumarate", "Dihydroxyfumaric acid" ] }, { "compound_id": "C00976", "inchi": "InChI=1S/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/t3-,5-,6+,7+,8-,9+,10+,13-,15-/m1/s1", "name": "GDP-D-mannuronate", "names": [ "GDP-D-mannuronate", "GDP-D-mannuronic acid" ] }, { "compound_id": "C00977", "inchi": "InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1", "name": "L-Tryptophanamide", "names": [ "L-Tryptophanamide" ] }, { "compound_id": "C00978", "inchi": "InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)", "name": "N-Acetylserotonin", "names": [ "N-Acetyl-5-hydroxytryptamine", "N-Acetylserotonin" ] }, { "compound_id": "C00979", "inchi": "InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1", "name": "O-Acetyl-L-serine", "names": [ "O-Acetyl-L-serine", "O3-Acetyl-L-serine" ] }, { "compound_id": "C00980", "inchi": null, "name": "Polyvinyl alcohol", "names": [ "PVA", "Polyvinyl alcohol" ] }, { "compound_id": "C00982", "inchi": "InChI=1S/C26H21N3O2/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19/h1-14,17,27,30H,15-16H2", "name": "Renilla luciferin", "names": [ "Renilla luciferin" ] }, { "compound_id": "C00984", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1", "name": "alpha-D-Galactose", "names": [ "alpha-D-Galactose" ] }, { "compound_id": "C00985", "inchi": "InChI=1S/C7H5O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h2-5H,(H,8,9);/q;+1", "name": "p-Mercuribenzoate", "names": [ "p-Mercuribanzoic acid", "p-Mercuribenzoate" ] }, { "compound_id": "C00986", "inchi": "InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2", "name": "1,3-Diaminopropane", "names": [ "1,3-Diaminopropane", "1,3-Propanediamine", "Propane-1,3-diamine", "Trimethylenediamine" ] }, { "compound_id": "C00988", "inchi": "InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)", "name": "2-Phosphoglycolate", "names": [ "2-Phosphoglycolate", "Phosphoglycolic acid" ] }, { "compound_id": "C00989", "inchi": "InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)", "name": "4-Hydroxybutanoic acid", "names": [ "4-Hydroxybutanoate", "4-Hydroxybutanoic acid", "4-Hydroxybutyric acid" ] }, { "compound_id": "C00990", "inchi": "InChI=1S/C5H12N2O/c6-4-2-1-3-5(7)8/h1-4,6H2,(H2,7,8)", "name": "5-Aminopentanamide", "names": [ "5-Aminopentanamide" ] }, { "compound_id": "C00991", "inchi": null, "name": "alpha-D-Aldose 1-phosphate", "names": [ "Monosaccharide 1-phosphate", "alpha-D-Aldose 1-phosphate", "beta-L-Aldose 1-phosphate" ] }, { "compound_id": "C00992", "inchi": "InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;;/m1../s1", "name": "Aquacob(III)alamin", "names": [ "Aquacob(III)alamin", "Aquacobalamin" ] }, { "compound_id": "C00993", "inchi": "InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1", "name": "D-Alanyl-D-alanine", "names": [ "D-Ala-D-Ala", "D-Alanyl-D-alanine" ] }, { "compound_id": "C00994", "inchi": "InChI=1S/C13H14O8/c1-7(14)11(18)21-8-2-4-13(5-3-8,12(19)20)6-9(15)10(16)17/h2-5,7-8,14H,6H2,1H3,(H,16,17)(H,19,20)/t7-,8-,13+/m1/s1", "name": "D-Prephenyllactate", "names": [ "D-Prephenyllactate" ] }, { "compound_id": "C00995", "inchi": null, "name": "Ferricytochrome b1", "names": [ "Ferricytochrome b1" ] }, { "compound_id": "C00996", "inchi": null, "name": "Ferricytochrome b5", "names": [ "Ferricytochrome b5" ] }, { "compound_id": "C00997", "inchi": null, "name": "Ferricytochrome c2", "names": [ "Ferricytochrome c2" ] }, { "compound_id": "C00998", "inchi": null, "name": "Ferrocytochrome b1", "names": [ "Ferrocytochrome b1" ] }, { "compound_id": "C00999", "inchi": null, "name": "Ferrocytochrome b5", "names": [ "Ferrocytochrome b5" ] }, { "compound_id": "C01000", "inchi": null, "name": "Ferrocytochrome c2", "names": [ "Ferrocytochrome c2" ] }, { "compound_id": "C01001", "inchi": "InChI=1S/C35H44N4O16/c40-19-36-16-23-15-21(18-55-23)17-54-22-3-1-20(2-4-22)13-14-37-28(41)10-7-26(34(50)51)39-30(43)11-8-27(35(52)53)38-29(42)9-5-24(32(46)47)25(33(48)49)6-12-31(44)45/h1-4,15,18-19,24-27H,5-14,16-17H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)/t24?,25?,26-,27-/m0/s1", "name": "Formylmethanofuran", "names": [ "Formylmethanofuran" ] }, { "compound_id": "C01002", "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)", "name": "Hexose 1-phosphate", "names": [ "Hexose 1-phosphate" ] }, { "compound_id": "C01003", "inchi": null, "name": "Myosin light chain", "names": [ "Myosin light chain" ] }, { "compound_id": "C01004", "inchi": "InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3", "name": "N-Methylnicotinate", "names": [ "1-Methylpyridinio-3-carboxylate", "Betaine nicotinate", "Caffearin", "Gynesine", "N-Methylnicotinate", "Trigenelline", "Trigonelline" ] }, { "compound_id": "C01005", "inchi": "InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1", "name": "O-Phospho-L-serine", "names": [ "3-Phosphoserine", "Dexfosfoserine", "L-O-Phosphoserine", "O-Phospho-L-serine" ] }, { "compound_id": "C01007", "inchi": "InChI=1S/C17H22N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,18,22-25H,5-6H2,1-2H3,(H2,19,20,26,27)/t11-,12+,14-/m0/s1", "name": "Reduced riboflavin", "names": [ "Reduced riboflavin" ] }, { "compound_id": "C01008", "inchi": "InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1", "name": "Trimethylsulfonium", "names": [ "Trimethylsulfonium" ] }, { "compound_id": "C01009", "inchi": "InChI=1S/C15H24N2O16P2/c18-4-7-11(21)6(19)3-10(30-7)32-35(27,28)33-34(25,26)29-5-8-12(22)13(23)14(31-8)17-2-1-9(20)16-15(17)24/h1-2,6-8,10-14,18-19,21-23H,3-5H2,(H,25,26)(H,27,28)(H,16,20,24)/t6-,7-,8-,10-,11+,12-,13-,14-/m1/s1", "name": "UDP-2-deoxyglucose", "names": [ "UDP-2-deoxyglucose" ] }, { "compound_id": "C01010", "inchi": "InChI=1S/C2H4N2O3/c3-1(5)4-2(6)7/h(H,6,7)(H3,3,4,5)", "name": "Urea-1-carboxylate", "names": [ "Allophanate", "Allophanic acid", "Urea-1-carboxylate" ] }, { "compound_id": "C01011", "inchi": "InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19?,23-,26+/m1/s1", "name": "(3S)-Citramalyl-CoA", "names": [ "(3S)-Citramalyl-CoA", "L-Citramalyl-CoA" ] }, { "compound_id": "C01012", "inchi": "InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1", "name": "(R)-Pantolactone", "names": [ "(3R)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-Furanone", "(R)-Pantolactone", "(R)-Pantoyl lactone" ] }, { "compound_id": "C01013", "inchi": "InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)", "name": "3-Hydroxypropanoate", "names": [ "3-Hydroxypropanoate", "3-Hydroxypropanoic acid", "3-Hydroxypropionate", "3-Hydroxypropionic acid", "Hydracrylic acid" ] }, { "compound_id": "C01014", "inchi": "InChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3", "name": "3-Isopropylcatechol", "names": [ "3-Isopropylcatechol" ] }, { "compound_id": "C01015", "inchi": "InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1", "name": "cis-4-Hydroxy-L-proline", "names": [ "L-Hydroxyproline", "cis-4-Hydroxy-L-proline" ] }, { "compound_id": "C01016", "inchi": null, "name": "5'-Phosphomonoester", "names": [ "5'-Phosphomonoester" ] }, { "compound_id": "C01017", "inchi": "InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)", "name": "5-Hydroxytryptophan", "names": [ "5-HTP", "5-Hydroxytryptophan" ] }, { "compound_id": "C01018", "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m1/s1", "name": "6-Deoxy-D-galactose", "names": [ "6-Deoxy-D-galactose", "D-Fucose" ] }, { "compound_id": "C01019", "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1", "name": "6-Deoxy-L-galactose", "names": [ "6-Deoxy-L-galactose", "L-Fucose" ] }, { "compound_id": "C01020", "inchi": "InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)", "name": "6-Hydroxynicotinate", "names": [ "6-Hydroxynicotinate", "6-Hydroxynicotinic acid" ] }, { "compound_id": "C01021", "inchi": null, "name": "Aromatic amino acid", "names": [ "Aromatic L-amino acid", "Aromatic amino acid" ] }, { "compound_id": "C01022", "inchi": null, "name": "Caldesmon phosphate", "names": [ "Caldesmon phosphate" ] }, { "compound_id": "C01023", "inchi": "InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15?,16-,17-,18?,21+/m0/s1", "name": "Dihydrostreptomycin", "names": [ "Dihydrostreptomycin" ] }, { "compound_id": "C01024", "inchi": "InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)", "name": "Hydroxymethylbilane", "names": [ "Hydroxymethylbilane" ] }, { "compound_id": "C01025", "inchi": null, "name": "Lipid hydroperoxide", "names": [ "Lipid hydroperoxide" ] }, { "compound_id": "C01026", "inchi": "InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)", "name": "N,N-Dimethylglycine", "names": [ "Dimethylglycine", "N,N-Dimethylglycine" ] }, { "compound_id": "C01028", "inchi": "InChI=1S/C6H14N2O3/c7-5(6(9)10)3-1-2-4-8-11/h5,8,11H,1-4,7H2,(H,9,10)/t5-/m0/s1", "name": "N6-Hydroxy-L-lysine", "names": [ "N6-Hydroxy-L-lysine" ] }, { "compound_id": "C01029", "inchi": "InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)", "name": "N8-Acetylspermidine", "names": [ "N8-Acetylspermidine" ] }, { "compound_id": "C01031", "inchi": "InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1", "name": "S-Formylglutathione", "names": [ "S-Formylglutathione" ] }, { "compound_id": "C01032", "inchi": null, "name": "alpha-L-Arabinoside", "names": [ "alpha-L-Arabinoside" ] }, { "compound_id": "C01033", "inchi": "InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14?,15-,18-,19-,20?,24-/m1/s1", "name": "2-Methylbutanoyl-CoA", "names": [ "2-Methylbutanoyl-CoA", "2-Methylbutyryl-CoA" ] }, { "compound_id": "C01034", "inchi": "InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5,15-17H,3-4,6-12H2,1-2H3", "name": "3-Oxo-delta5-steroid", "names": [ "3-Oxo-delta5-steroid" ] }, { "compound_id": "C01035", "inchi": "InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)", "name": "4-Guanidinobutanoate", "names": [ "4-Guanidinobutanoate", "4-Guanidinobutyric acid" ] }, { "compound_id": "C01036", "inchi": "InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1-", "name": "4-Maleylacetoacetate", "names": [ "4-Maleylacetoacetate", "4-Maleylacetoacetic acid" ] }, { "compound_id": "C01037", "inchi": "InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)", "name": "7,8-Diaminononanoate", "names": [ "7,8-Diaminononanoate" ] }, { "compound_id": "C01040", "inchi": "InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1", "name": "L-Gulono-1,4-lactone", "names": [ "L-Gulonic acid gamma-lactone", "L-Gulono-1,4-lactone", "L-Gulono-gamma-lactone", "L-Gulonolactone", "gamma-Gulonolactone" ] }, { "compound_id": "C01041", "inchi": "InChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10H,1H2/t2-,5+/m0/s1", "name": "Monodehydro-L-ascorbate", "names": [ "Monodehydro-L-ascorbate" ] }, { "compound_id": "C01042", "inchi": "InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1", "name": "N-Acetyl-L-aspartate", "names": [ "N-Acetyl-L-aspartate", "N-Acetyl-L-aspartic acid" ] }, { "compound_id": "C01043", "inchi": "InChI=1S/C4H8N2O3/c1-6(4(5)9)2-3(7)8/h2H2,1H3,(H2,5,9)(H,7,8)", "name": "N-Carbamoylsarcosine", "names": [ "N-Carbamoylsarcosine" ] }, { "compound_id": "C01044", "inchi": "InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1", "name": "N-Formyl-L-aspartate", "names": [ "N-Formyl-L-aspartate" ] }, { "compound_id": "C01045", "inchi": "InChI=1S/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1", "name": "N-Formyl-L-glutamate", "names": [ "N-Formyl-L-glutamate" ] }, { "compound_id": "C01046", "inchi": "InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1", "name": "N-Methyl-L-glutamate", "names": [ "N-Methyl-L-glutamate", "N-Methyl-L-glutamic acid" ] }, { "compound_id": "C01047", "inchi": "InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1", "name": "N5-Ethyl-L-glutamine", "names": [ "L-Theanine", "N5-Ethyl-L-glutamine" ] }, { "compound_id": "C01048", "inchi": "InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7+", "name": "Polyprenyl phosphate", "names": [ "Polyprenyl phosphate" ] }, { "compound_id": "C01050", "inchi": "InChI=1S/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1", "name": "UDP-N-acetylmuramate", "names": [ "UDP-MurNAc", "UDP-N-acetylmuramate", "UDP-N-acetylmuramic acid" ] }, { "compound_id": "C01051", "inchi": "InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)", "name": "Uroporphyrinogen III", "names": [ "Uroporphyrinogen III" ] }, { "compound_id": "C01053", "inchi": "InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h3-4,8H,1-2H3,(H,9,10)", "name": "(R)-4-Dehydropantoate", "names": [ "(R)-4-Dehydropantoate" ] }, { "compound_id": "C01054", "inchi": "InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1", "name": "(S)-2,3-Epoxysqualene", "names": [ "(3S)-2,3-Epoxy-2,3-dihydrosqualene", "(S)-2,3-Epoxysqualene", "(S)-Squalene-2,3-epoxide", "2,3-Oxidosqualene", "Squalene 2,3-epoxide", "Squalene 2,3-oxide" ] }, { "compound_id": "C01056", "inchi": "InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1", "name": "(S)-6-Hydroxynicotine", "names": [ "(S)-6-Hydroxynicotine" ] }, { "compound_id": "C01058", "inchi": null, "name": "11beta-Hydroxysteroid", "names": [ "11beta-Hydroxysteroid" ] }, { "compound_id": "C01059", "inchi": "InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)", "name": "2,5-Dihydroxypyridine", "names": [ "2,5-Dihydroxypyridine" ] }, { "compound_id": "C01060", "inchi": "InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1", "name": "3,5-Diiodo-L-tyrosine", "names": [ "3,5-Diiodo-L-tyrosine", "3,5-Diiodotyrosine", "L-Diiodotyrosine" ] }, { "compound_id": "C01061", "inchi": "InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+", "name": "4-Fumarylacetoacetate", "names": [ "4-Fumarylacetoacetate", "4-Fumarylacetoacetic acid", "Fumarylacetoacetate" ] }, { "compound_id": "C01062", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)", "name": "5-Dehydro-D-gluconate", "names": [ "5-Dehydro-D-gluconate", "5-Dehydrogluconate" ] }, { "compound_id": "C01063", "inchi": "InChI=1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23?,27-/m1/s1", "name": "6-Carboxyhexanoyl-CoA", "names": [ "6-Carboxyhexanoyl-CoA", "Pimeloyl-CoA" ] }, { "compound_id": "C01064", "inchi": null, "name": "CMP-N-acylneuraminate", "names": [ "CMP-N-acylneuraminate" ] }, { "compound_id": "C01066", "inchi": "InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2", "name": "Cyclohexane-1,3-dione", "names": [ "1,3-Cyclohexanedione", "Cyclohexane-1,3-dione", "Dihydroresorcinol" ] }, { "compound_id": "C01067", "inchi": "InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6+/m1/s1", "name": "D-Galactose 6-sulfate", "names": [ "D-Galactose 6-sulfate" ] }, { "compound_id": "C01068", "inchi": "InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1", "name": "D-Ribitol 5-phosphate", "names": [ "D-Ribitol 5-phosphate", "L-Ribitol 1-phosphate", "Ribitol 5-phosphate" ] }, { "compound_id": "C01069", "inchi": "InChI=1S/C14H19NO6S/c16-7-9-11(17)12(18)13(19)14(21-9)22-10(15-20)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-20H,6-7H2/b15-10-/t9-,11-,12+,13-,14+/m1/s1", "name": "Desulfoglucotropeolin", "names": [ "Desulfoglucotropeolin" ] }, { "compound_id": "C01070", "inchi": null, "name": "Ferricytochrome c-553", "names": [ "Ferricytochrome c-553" ] }, { "compound_id": "C01071", "inchi": null, "name": "Ferrocytochrome c-553", "names": [ "Ferrocytochrome c-553" ] }, { "compound_id": "C01073", "inchi": "InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)", "name": "N-Acetyl-beta-alanine", "names": [ "N-Acetyl-beta-alanine" ] }, { "compound_id": "C01074", "inchi": null, "name": "N-Acetylgalactosamine", "names": [ "2-Acetamido-2-deoxygalactose", "GalNAc", "N-Acetylchondrosamine", "N-Acetylgalactosamine" ] }, { "compound_id": "C01075", "inchi": "InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6?/m1/s1", "name": "N-Sulfo-D-glucosamine", "names": [ "N-Sulfo-D-glucosamine" ] }, { "compound_id": "C01076", "inchi": null, "name": "N-Terminal amino acid", "names": [ "N-Terminal amino acid" ] }, { "compound_id": "C01077", "inchi": "InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1", "name": "O-Acetyl-L-homoserine", "names": [ "O-Acetyl-L-homoserine", "O-Acetylhomoserine" ] }, { "compound_id": "C01078", "inchi": null, "name": "Procollagen L-proline", "names": [ "Procollagen L-proline" ] }, { "compound_id": "C01079", "inchi": "InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)", "name": "Protoporphyrinogen IX", "names": [ "Protoporphyrinogen IX" ] }, { "compound_id": "C01080", "inchi": "InChI=1S/C29H38N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,9,12,16-17,19-20,23,35-37,41H,4-8,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1", "name": "Reduced coenzyme F420", "names": [ "Reduced coenzyme F420" ] }, { "compound_id": "C01081", "inchi": "InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1", "name": "Thiamin monophosphate", "names": [ "TMP", "Thiamin monophosphate", "Thiamin phosphate", "Thiamine monophosphate", "Thiamine phosphate" ] }, { "compound_id": "C01083", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1", "name": "alpha,alpha-Trehalose", "names": [ ",-Trehalose", ",-trehalose", "Trehalose", "alpha,alpha'-Trehalose", "alpha,alpha-Trehalose" ] }, { "compound_id": "C01086", "inchi": null, "name": "(3R)-3-Hydroxyacyl-CoA", "names": [ "(3R)-3-Hydroxyacyl-CoA", "(R)-3-Hydroxyacyl-CoA" ] }, { "compound_id": "C01087", "inchi": "InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1", "name": "(R)-2-Hydroxyglutarate", "names": [ "(R)-2-Hydroxyglutarate", "(R)-Hydroxyglutarate" ] }, { "compound_id": "C01088", "inchi": "InChI=1S/C6H10O5/c1-6(2,5(10)11)3(7)4(8)9/h3,7H,1-2H3,(H,8,9)(H,10,11)/t3-/m0/s1", "name": "(R)-3,3-Dimethylmalate", "names": [ "(R)-3,3-Dimethylmalate" ] }, { "compound_id": "C01089", "inchi": "InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1", "name": "(R)-3-Hydroxybutanoate", "names": [ "(R)-3-Hydroxybutanoate", "(R)-3-Hydroxybutanoic acid", "(R)-3-Hydroxybutyric acid" ] }, { "compound_id": "C01090", "inchi": "InChI=1S/C19H32O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-17,20-21H,3-11H2,1-2H3/t12?,13?,14-,15?,16?,17?,18?,19?/m1/s1", "name": "16alpha-Hydroxysteroid", "names": [ "16alpha-Hydroxysteroid" ] }, { "compound_id": "C01091", "inchi": "InChI=1S/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/t17-,18+,19+,21+,22+,23-/m0/s1", "name": "Deacetylvindoline", "names": [ "17-O-Deacetylvindoline", "Deacetylvindoline", "Desacetylvindoline" ] }, { "compound_id": "C01092", "inchi": "InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)", "name": "8-Amino-7-oxononanoate", "names": [ "8-Amino-7-oxononanoate", "8-Amino-7-oxononanoic acid" ] }, { "compound_id": "C01093", "inchi": "InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-10,12-19H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10?,12?/m1/s1", "name": "Cellobiono-1,5-lactone", "names": [ "Cellobiono-1,5-lactone", "Cellobionolactone", "Cellobiose-1,5-lactone" ] }, { "compound_id": "C01094", "inchi": "InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1", "name": "D-Fructose 1-phosphate", "names": [ "D-Fructose 1-phosphate" ] }, { "compound_id": "C01095", "inchi": "InChI=1S/C5H12O11P2/c6-3-2(15-5(8)4(3)7)1-14-18(12,13)16-17(9,10)11/h2-8H,1H2,(H,12,13)(H2,9,10,11)/t2-,3-,4-,5-/m1/s1", "name": "D-Ribose 5-diphosphate", "names": [ "D-Ribose 5-diphosphate" ] }, { "compound_id": "C01096", "inchi": "InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1", "name": "Sorbitol 6-phosphate", "names": [ "D-Glucitol 6-phosphate", "D-Sorbitol 6-phosphate", "Sorbitol 6-phosphate" ] }, { "compound_id": "C01097", "inchi": "InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6?/m1/s1", "name": "D-Tagatose 6-phosphate", "names": [ "D-Tagatose 6-phosphate" ] }, { "compound_id": "C01099", "inchi": "InChI=1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/t3-,5+,6-/m0/s1", "name": "L-Fuculose 1-phosphate", "names": [ "L-Fuculose 1-phosphate" ] }, { "compound_id": "C01100", "inchi": "InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1", "name": "L-Histidinol phosphate", "names": [ "L-Histidinol phosphate" ] }, { "compound_id": "C01101", "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m0/s1", "name": "L-Ribulose 5-phosphate", "names": [ "L-Ribulose 5-phosphate" ] }, { "compound_id": "C01102", "inchi": "InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1", "name": "O-Phospho-L-homoserine", "names": [ "O-Phospho-L-homoserine" ] }, { "compound_id": "C01103", "inchi": "InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1", "name": "Orotidine 5'-phosphate", "names": [ "Orotidine 5 '-phosphate", "Orotidine 5'-phosphate", "Orotidylic acid", "orotidine 5 '-phosphate" ] }, { "compound_id": "C01104", "inchi": "InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3", "name": "Trimethylamine N-oxide", "names": [ "(CH3)3NO", "Trimethylamine N-oxide" ] }, { "compound_id": "C01107", "inchi": "InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1", "name": "(R)-5-Phosphomevalonate", "names": [ "(R)-5-Phosphomevalonate", "(R)-5-Phosphomevaloonic acid", "(R)-Mevalonic acid 5-phosphate" ] }, { "compound_id": "C01108", "inchi": "InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H", "name": "1,2,3-Trihydroxybenzene", "names": [ "1,2,3-Benzenetriol", "1,2,3-Trihydroxybenzene", "Pyrogallic acid", "Pyrogallol" ] }, { "compound_id": "C01109", "inchi": "InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1", "name": "4-Methylene-L-glutamine", "names": [ "4-Methylene-L-glutamine" ] }, { "compound_id": "C01110", "inchi": "InChI=1S/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)", "name": "5-Amino-2-oxopentanoic acid", "names": [ "2-Oxo-5-amino-pentanoate", "2-Oxo-5-aminopentanoate", "2-Oxo-5-aminovalerate", "5-Amino-2-oxopentanoate", "5-Amino-2-oxopentanoic acid", "alpha-Keto-delta-aminopentanoate" ] }, { "compound_id": "C01111", "inchi": "InChI=1S/C10H7NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,12,14H,(H,11,13)(H,15,16)", "name": "7,8-Dihydroxykynurenate", "names": [ "7,8-Dihydroxykynurenate" ] }, { "compound_id": "C01112", "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1", "name": "D-Arabinose 5-phosphate", "names": [ "D-Arabinose 5-phosphate" ] }, { "compound_id": "C01113", "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6?/m1/s1", "name": "D-Galactose 6-phosphate", "names": [ "6-Phospho-D-galactose", "D-Galactose 6-phosphate" ] }, { "compound_id": "C01114", "inchi": "InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4+/m0/s1", "name": "L-Arabinono-1,4-lactone", "names": [ "L-Arabinono-1,4-lactone", "L-Arabonolactone" ] }, { "compound_id": "C01115", "inchi": "InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1", "name": "L-Galactono-1,4-lactone", "names": [ "L-Galactono-1,4-lactone" ] }, { "compound_id": "C01117", "inchi": null, "name": "Nucleoside 5'-phosphate", "names": [ "Nucleoside 5'-phosphate" ] }, { "compound_id": "C01118", "inchi": "InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1", "name": "O-Succinyl-L-homoserine", "names": [ "O-Succinyl-L-homoserine", "O-Succinylhomoserine", "O4-Succinyl-L-homoserine" ] }, { "compound_id": "C01119", "inchi": "InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1", "name": "Oxidized dithiothreitol", "names": [ "Oxidized dithiothreitol" ] }, { "compound_id": "C01120", "inchi": "InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1", "name": "Sphinganine 1-phosphate", "names": [ "Dihydrosphingosine 1-phosphate", "Sphinganine 1-phosphate" ] }, { "compound_id": "C01121", "inchi": "InChI=1S/C8H19N6O7P/c9-7(10)13-1-3(15)2(14-8(11)12)6(5(17)4(1)16)21-22(18,19)20/h1-6,15-17H,(H4,9,10,13)(H4,11,12,14)(H2,18,19,20)/t1-,2+,3-,4+,5-,6-/m0/s1", "name": "Streptidine 6-phosphate", "names": [ "Streptidine 6-phosphate" ] }, { "compound_id": "C01122", "inchi": null, "name": "cis-2,3-Dehydroacyl-CoA", "names": [ "cis-2,3-Dehydroacyl-CoA" ] }, { "compound_id": "C01123", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9-11H,1,4-5H2,2-3H3/t9-,10+/m1/s1", "name": "(-)-trans-Isopiperitenol", "names": [ "(-)-trans-Isopiperitenol" ] }, { "compound_id": "C01124", "inchi": "InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1", "name": "18-Hydroxycorticosterone", "names": [ "18-Hydroxycorticosterone" ] }, { "compound_id": "C01125", "inchi": "InChI=1S/C6H8O3/c1-6(2)3-9-5(8)4(6)7/h3H2,1-2H3", "name": "Dihydro-4,4-dimethyl-2,3-Furandione", "names": [ "2-Dehydropantolactone", "2-Dehydropantoyl lactone", "Dihydro-4,4-dimethyl-2,3-Furandione" ] }, { "compound_id": "C01126", "inchi": "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+", "name": "2-trans,6-trans-Farnesol", "names": [ "(2E,6E)-Farnesol", "2-trans,6-trans-Farnesol", "trans-Farnesol" ] }, { "compound_id": "C01127", "inchi": "InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)", "name": "4-Hydroxy-2-oxoglutarate", "names": [ "4-Hydroxy-2-oxoglutarate", "4-Hydroxy-2-oxoglutaric acid" ] }, { "compound_id": "C01131", "inchi": "InChI=1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/t3-,5-,6-/m0/s1", "name": "L-Rhamnulose 1-phosphate", "names": [ "L-Rhamnulose 1-phosphate" ] }, { "compound_id": "C01132", "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1", "name": "N-Acetyl-D-galactosamine", "names": [ "2-Acetamido-2-deoxy-D-galactose", "N-Acetyl-D-chondrosamine", "N-Acetyl-D-galactosamine" ] }, { "compound_id": "C01133", "inchi": "InChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/t4-,5-,6-,7-/m1/s1", "name": "N-Acetyl-D-glucosaminate", "names": [ "N-Acetyl-D-glucosaminate" ] }, { "compound_id": "C01134", "inchi": "InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1", "name": "Pantetheine 4'-phosphate", "names": [ "4'-Phosphopantetheine", "D-Pantetheine 4'-phosphate", "Pantetheine 4'-phosphate", "Phosphopantetheine" ] }, { "compound_id": "C01135", "inchi": null, "name": "Phospho-beta-D-glucoside", "names": [ "Phospho-beta-D-glucoside" ] }, { "compound_id": "C01136", "inchi": "InChI=1S/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)", "name": "S-Acetyldihydrolipoamide", "names": [ "6-S-Acetyldihydrolipoamide", "S-Acetyldihydrolipoamide" ] }, { "compound_id": "C01137", "inchi": "InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14-,24+/m1/s1", "name": "S-Adenosylmethioninamine", "names": [ "(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium", "(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation", "S-Adenosyl-(5')-3-methylthiopropylamine", "S-Adenosylmethioninamine" ] }, { "compound_id": "C01138", "inchi": "InChI=1S/C21H40N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)12(33)10(31)6(3-29)40-17)18(39-5)41-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)43-44(36,37)38/h4-18,26,29,31-35H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14?,15-,16?,17?,18?,21+/m0/s1", "name": "Streptomycin 6-phosphate", "names": [ "Streptomycin 6-phosphate" ] }, { "compound_id": "C01139", "inchi": null, "name": "[Acetyl-CoA carboxylase]", "names": [ "[Acetyl-CoA carboxylase]" ] }, { "compound_id": "C01140", "inchi": null, "name": "alpha-D-Glucosyl-protein", "names": [ "alpha-D-Glucosyl-protein" ] }, { "compound_id": "C01141", "inchi": null, "name": "beta-Adrenergic receptor", "names": [ "[beta-Adrenergic receptor]", "beta-Adrenergic receptor" ] }, { "compound_id": "C01142", "inchi": "InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1", "name": "(3S)-3,6-Diaminohexanoate", "names": [ "(3S)-3,6-Diaminohexanoate", "L-beta-Lysine" ] }, { "compound_id": "C01143", "inchi": "InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1", "name": "(R)-5-Diphosphomevalonate", "names": [ "(R)-5-Diphosphomevalonate" ] }, { "compound_id": "C01144", "inchi": "InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20?,24+/m0/s1", "name": "(S)-3-Hydroxybutanoyl-CoA", "names": [ "(3s)-3-hydroxybutanoyl-coa", "(3s)-hydroxybutanoyl-coenzyme a", "(S)-3-Hydroxybutanoyl-CoA", "(S)-3-Hydroxybutyryl-CoA", "dl-3-hydroxybutanoyl-coa" ] }, { "compound_id": "C01146", "inchi": "InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)", "name": "2-Hydroxy-3-oxopropanoate", "names": [ "2-Hydroxy-3-oxopropanoate", "Tartronate semialdehyde" ] }, { "compound_id": "C01147", "inchi": "InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2", "name": "2-Hydroxycyclohexan-1-one", "names": [ "2-Hydroxycyclohexan-1-one", "2-Hydroxycyclohexanone", "Adipoin" ] }, { "compound_id": "C01149", "inchi": "InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1", "name": "4-Trimethylammoniobutanal", "names": [ "4-Trimethylammoniobutanal" ] }, { "compound_id": "C01151", "inchi": "InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1", "name": "D-Ribose 1,5-bisphosphate", "names": [ "D-Ribose 1,5-bisphosphate", "Ribose 1,5-bisphosphate" ] }, { "compound_id": "C01152", "inchi": "InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1", "name": "N(pi)-Methyl-L-histidine", "names": [ "1-Methylhistidine", "3-Methylhistidine", "N(pi)-Methyl-L-histidine", "N-pros-Methyl-L-histidine" ] }, { "compound_id": "C01153", "inchi": null, "name": "Orthophosphoric monoester", "names": [ "Orthophosphoric monoester", "Phosphate monoester" ] }, { "compound_id": "C01155", "inchi": "InChI=1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-8(17)10(3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)", "name": "Quercetin 3,3'-bissulfate", "names": [ "Quercetin 3,3'-bissulfate" ] }, { "compound_id": "C01156", "inchi": "InChI=1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-10(8(17)3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)", "name": "Quercetin 3,4'-bissulfate", "names": [ "Quercetin 3,4'-bissulfate" ] }, { "compound_id": "C01157", "inchi": "InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1", "name": "Hydroxyproline", "names": [ "Hydroxyproline", "L-Hydroxyproline", "trans-4-Hydroxy-L-proline" ] }, { "compound_id": "C01158", "inchi": "InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1", "name": "1-O-Galloyl-beta-D-glucose", "names": [ "1-Galloyl-beta-D-glucose", "1-Galloyl-beta-glucose", "1-O-Galloyl-beta-D-glucose", "beta-Glucogallin" ] }, { "compound_id": "C01159", "inchi": "InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1", "name": "2,3-Bisphospho-D-glycerate", "names": [ "2,3-Bisphospho-D-glycerate", "2,3-Disphospho-D-glycerate", "D-Greenwald ester", "DPG" ] }, { "compound_id": "C01161", "inchi": "InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)", "name": "3,4-Dihydroxyphenylacetate", "names": [ "3,4-Dihydroxyphenylacetate", "3,4-Dihydroxyphenylacetic acid", "Homoprotocatechuate" ] }, { "compound_id": "C01162", "inchi": "InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)/t5-/m0/s1", "name": "3-(Pyrazol-1-yl)-L-alanine", "names": [ "3-(Pyrazol-1-yl)-L-alanine", "beta-Pyrazol-1-ylalanine" ] }, { "compound_id": "C01163", "inchi": "InChI=1S/C7H6O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b2-1-,4-3+", "name": "3-Carboxy-cis,cis-muconate", "names": [ "3-Carboxy-cis,cis-muconate", "beta-Carboxy-cis,cis-muconate", "cis,cis-Butadiene-1,2,4-tricarboxylate" ] }, { "compound_id": "C01164", "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1", "name": "7-Dehydrocholesterol", "names": [ "7-Dehydrocholesterol", "Cholesta-5,7-dien-3beta-ol", "Provitamin D3" ] }, { "compound_id": "C01165", "inchi": "InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1", "name": "L-Glutamate 5-semialdehyde", "names": [ "L-Glutamate 5-semialdehyde", "L-Glutamate gamma-semialdehyde" ] }, { "compound_id": "C01166", "inchi": null, "name": "Oxidized polyvinyl alcohol", "names": [ "Oxidized polyvinyl alcohol" ] }, { "compound_id": "C01167", "inchi": null, "name": "Protein tyrosine phosphate", "names": [ "Protein tyrosine phosphate", "[Protein]-L-tyrosine phosphate" ] }, { "compound_id": "C01168", "inchi": "InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1", "name": "Pseudouridine 5'-phosphate", "names": [ "Pseudouridine 5'-phosphate" ] }, { "compound_id": "C01169", "inchi": "InChI=1S/C12H21NO4S2/c13-10(14)4-2-1-3-9(18)7-8-19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)", "name": "S-Succinyldihydrolipoamide", "names": [ "S-Succinyldihydrolipoamide" ] }, { "compound_id": "C01170", "inchi": "InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10+,11-,12-,13-,14-,15-,16-/m1/s1", "name": "UDP-N-acetyl-D-mannosamine", "names": [ "UDP-N-acetyl-D-mannosamine" ] }, { "compound_id": "C01171", "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2?,3?,4?,5?,6-/m1/s1", "name": "alpha-D-Hexose 1-phosphate", "names": [ "alpha-D-Hexose 1-phosphate" ] }, { "compound_id": "C01172", "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1", "name": "beta-D-Glucose 6-phosphate", "names": [ "beta-D-Glucose 6-phosphate" ] }, { "compound_id": "C01173", "inchi": "InChI=1S/C10H8O3/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-5,11-13H", "name": "1,3,8-Naphthalenertriol", "names": [ "1,3,8-Naphthalenertriol", "1,3,8-Trihydroxynaphthalene" ] }, { "compound_id": "C01175", "inchi": "InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1", "name": "1-O-Sinapoyl-beta-D-glucose", "names": [ "1-O-Sinapoyl beta-D-glucoside", "1-O-Sinapoyl-beta-D-glucose", "1-sinapoyl-d-glucose" ] }, { "compound_id": "C01176", "inchi": "InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1", "name": "17alpha-Hydroxyprogesterone", "names": [ "17alpha-Hydroxy-4-pregnene-3,20-dione", "17alpha-Hydroxy-progesterone", "17alpha-Hydroxyprogesterone", "Pregn-4-ene-3,20-dione-17-ol" ] }, { "compound_id": "C01177", "inchi": "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1", "name": "Inositol 1-phosphate", "names": [ "1D-myo-Inositol 1-monophosphate", "1D-myo-Inositol 1-phosphate", "D-myo-Inositol 1-phosphate", "Inositol 1-phosphate", "myo-Inositol 1-phosphate" ] }, { "compound_id": "C01179", "inchi": "InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)", "name": "3-(4-Hydroxyphenyl)pyruvate", "names": [ "3-(4-Hydroxyphenyl)pyruvate", "4-Hydroxyphenylpyruvate", "p-Hydroxyphenylpyruvic acid" ] }, { "compound_id": "C01180", "inchi": "InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)", "name": "4-Methylthio-2-oxobutanoic acid", "names": [ "2-Keto-4-methylthiobutyric acid", "2-Oxo-4-methylthiobutanoate", "4-Methylthio-2-oxobutanoate", "4-Methylthio-2-oxobutanoic acid" ] }, { "compound_id": "C01181", "inchi": "InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1", "name": "4-Trimethylammoniobutanoate", "names": [ "4-Trimethylammoniobutanoate" ] }, { "compound_id": "C01182", "inchi": "InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1", "name": "D-Ribulose 1,5-bisphosphate", "names": [ "D-Ribulose 1,5-bisphosphate", "D-ribulose 1,5-biphosphate", "d-ribulose 1,5-biphosphate" ] }, { "compound_id": "C01183", "inchi": "InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3", "name": "N,N-Dimethylaniline N-oxide", "names": [ "N,N-Dimethylaniline N-oxide" ] }, { "compound_id": "C01185", "inchi": "InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9-,10-/m1/s1", "name": "Nicotinate D-ribonucleotide", "names": [ "Nicotinate D-ribonucleotide", "Nicotinate ribonucleotide", "Nicotinic acid ribonucleotide", "beta-Nicotinate D-ribonucleotide" ] }, { "compound_id": "C01186", "inchi": "InChI=1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m0/s1", "name": "(3S,5S)-3,5-Diaminohexanoate", "names": [ "(3S,5S)-3,5-Diaminocaproate", "(3S,5S)-3,5-Diaminohexanoate", "L-erythro-3,5-Diaminocaproate", "L-erythro-3,5-Diaminohexanoate" ] }, { "compound_id": "C01187", "inchi": "InChI=1S/C8H14O8/c9-2-5(12)7(14)6(13)3(10)1-4(11)8(15)16/h3,5-7,9-10,12-14H,1-2H2,(H,15,16)", "name": "3-Deoxy-D-manno-octulosonate", "names": [ "2-Dehydro-3-deoxy-D-octonate", "3-Deoxy-D-manno-2-octulosonate", "3-Deoxy-D-manno-octulosonate", "3-Deoxyoctulosonic acid", "KDO" ] }, { "compound_id": "C01188", "inchi": "InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)", "name": "3-Hydroxy-2-methylpropanoate", "names": [ "3-Hydroxy-2-methylpropanoate", "3-Hydroxyisobutyrate", "3-Hydroxyisobutyric acid" ] }, { "compound_id": "C01189", "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1", "name": "Lathosterol", "names": [ "5alpha-Cholest-7-en-3beta-ol", "Lathosterol" ] }, { "compound_id": "C01190", "inchi": null, "name": "Glucosylceramide", "names": [ "D-Glucosyl-N-acylsphingosine", "Glucocerebroside", "Glucosylceramide" ] }, { "compound_id": "C01191", "inchi": "InChI=1S/C30H53O8P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-37-39(34,35)38-30-29(33)28(32)27(31)21-36-30/h11,13,15,17,26-33H,7-10,12,14,16,18-21H2,1-6H3,(H,34,35)/b23-13+,24-15+,25-17-/t26?,27-,28+,29-,30+/m1/s1", "name": "Dolichyl D-xylosyl phosphate", "names": [ "Dolichyl D-xylosyl phosphate" ] }, { "compound_id": "C01192", "inchi": "InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h2-17H2,1H3,(H2,22,23,24)", "name": "Palmitoylglycerone phosphate", "names": [ "Palmitoylglycerone phosphate" ] }, { "compound_id": "C01194", "inchi": null, "name": "1-Phosphatidyl-D-myo-inositol", "names": [ "(3-Phosphatidyl)-1-D-inositol", "1,2-Diacyl-sn-glycero-3-phosphoinositol", "1-Phosphatidyl-1D-myo-inositol", "1-Phosphatidyl-D-myo-inositol", "1-Phosphatidyl-myo-inositol", "Phosphatidyl-1D-myo-inositol", "Phosphatidylinositol" ] }, { "compound_id": "C01196", "inchi": null, "name": "3'-Hydroxyoligoribonucleotide", "names": [ "3'-Hydroxyoligoribonucleotide" ] }, { "compound_id": "C01197", "inchi": "InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+", "name": "Caffeate", "names": [ "3,4-Dihydroxy-trans-cinnamate", "Caffeate", "Caffeic acid", "trans-Caffeate" ] }, { "compound_id": "C01198", "inchi": "InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)", "name": "3-(2-Hydroxyphenyl)propanoate", "names": [ "2-Hydroxyphenylpropanoate", "3-(2-Hydroxyphenyl)propanoate", "3-(2-Hydroxyphenyl)propionate", "3-(2-Hydroxyphenyl)propionic acid", "Melilotate" ] }, { "compound_id": "C01199", "inchi": null, "name": "5'-Hydroxyoligoribonucleotide", "names": [ "5'-Hydroxyoligoribonucleotide" ] }, { "compound_id": "C01200", "inchi": null, "name": "N-Acylneuraminate 9-phosphate", "names": [ "N-Acylneuraminate 9-phosphate" ] }, { "compound_id": "C01201", "inchi": "InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)/t8-,9+,10+,12+,13+,14+,15+,18-,19+/m0/s1", "name": "N(omega)-(ADP-D-ribosyl)-L-arginine", "names": [ "N(omega)-(ADP-D-ribosyl)-L-arginine", "Nomega-(ADP-D-ribosyl)-L-arginine" ] }, { "compound_id": "C01203", "inchi": null, "name": "Oleoyl-[acyl-carrier protein]", "names": [ "Octadecenoyl-[acp]", "Octadecenoyl-[acyl-carrier protein]", "Oleoyl-[acyl-carrier protein]" ] }, { "compound_id": "C01204", "inchi": "InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-", "name": "myo-Inositol hexakisphosphate", "names": [ "1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate", "1D-myo-Inositol hexakisphosphate", "D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate", "Inositol 1,2,3,4,5,6-hexakisphosphate", "Phytate", "Phytic acid", "myo-Inositol 1,2,3,4,5,6-hexakisphosphate", "myo-Inositol hexakisphosphate" ] }, { "compound_id": "C01205", "inchi": "InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1", "name": "(R)-3-Amino-2-methylpropanoate", "names": [ "(R)-3-Amino-2-methylpropanoate", "D-3-Amino-isobutanoate" ] }, { "compound_id": "C01207", "inchi": "InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)", "name": "3-(3,4-Dihydroxyphenyl)lactate", "names": [ "3,4-Dihydroxyphenyllactic acid", "3-(3,4-Dihydroxyphenyl)lactate" ] }, { "compound_id": "C01209", "inchi": null, "name": "Malonyl-[acyl-carrier protein]", "names": [ "Malonyl-[acyl-carrier protein]" ] }, { "compound_id": "C01210", "inchi": "InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)", "name": "N-Methylethanolamine phosphate", "names": [ "N-Methylethanolamine phosphate" ] }, { "compound_id": "C01211", "inchi": null, "name": "Procollagen 5-hydroxy-L-lysine", "names": [ "Procollagen 5-hydroxy-L-lysine", "Procollagen L-erythro-5-hydroxylysine" ] }, { "compound_id": "C01212", "inchi": "InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1", "name": "UDP-N-acetylmuramoyl-L-alanine", "names": [ "UDP-N-acetylmuramoyl-L-alanine" ] }, { "compound_id": "C01213", "inchi": "InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18?,22-/m1/s1", "name": "(R)-Methylmalonyl-CoA", "names": [ "(R)-Methylmalonyl-CoA", "L-Methylmalonyl-CoA" ] }, { "compound_id": "C01214", "inchi": "InChI=1S/C6H13NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H,7H2/t1-,2-,3+,4+,5-,6-", "name": "1-Amino-1-deoxy-scyllo-inositol", "names": [ "1-Amino-1-deoxy-scyllo-inositol", "scyllo-Inosamine" ] }, { "compound_id": "C01215", "inchi": "InChI=1S/C7H9NO5/c1-4(9)8-3-5(7(12)13)2-6(10)11/h3H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b5-3-", "name": "2-(Acetamidomethylene)succinate", "names": [ "2-(Acetamidomethylene)succinate" ] }, { "compound_id": "C01216", "inchi": "InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1", "name": "2-Dehydro-3-deoxy-D-galactonate", "names": [ "2-Dehydro-3-deoxy-D-galactonate" ] }, { "compound_id": "C01217", "inchi": "InChI=1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18+,19-,21+,23+,24-,25-,29+/m1/s1", "name": "5,6,7,8-Tetrahydromethanopterin", "names": [ "5,6,7,8-Tetrahydromethanopterin", "H4MPT", "Tetrahydromethanopterin", "h4pteglu4" ] }, { "compound_id": "C01218", "inchi": "InChI=1S/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-4,7-9H,1H2,(H,11,12)(H2,13,14,15)", "name": "6-Phospho-2-dehydro-D-gluconate", "names": [ "2-Dehydro-D-gluconate 6-phosphate", "6-Phospho-2-dehydro-D-gluconate" ] }, { "compound_id": "C01219", "inchi": "InChI=1S/C15H23N3O15P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)18-3-2-7(16)17-15(18)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H2,16,17,24)/t5-,6-,9-,10+,11-,12-,13-,14-/m1/s1", "name": "CDP-4-dehydro-6-deoxy-D-glucose", "names": [ "CDP-4-dehydro-6-deoxy-D-glucose" ] }, { "compound_id": "C01220", "inchi": "InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1", "name": "1D-myo-Inositol 1,4-bisphosphate", "names": [ "1D-myo-Inositol 1,4-bisphosphate", "D-myo-Inositol 1,4-bisphosphate", "Inositol 1,4-bisphosphate", "myo-Inositol 1,4-bisphosphate" ] }, { "compound_id": "C01221", "inchi": "InChI=1S/C21H42N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)12(33)10(31)6(3-29)40-17)18(39-5)41-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)43-44(36,37)38/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14?,15-,16?,17?,18?,21+/m0/s1", "name": "Dihydrostreptomycin 6-phosphate", "names": [ "Dihydrostreptomycin 6-phosphate" ] }, { "compound_id": "C01222", "inchi": "InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1", "name": "GDP-4-dehydro-6-deoxy-D-mannose", "names": [ "GDP-4-dehydro-6-deoxy-D-mannose", "GDP-4-dehydro-6-deoxy-D-talose", "GDP-4-dehydro-D-rhamnose", "GDP-4-keto-6-deoxy-D-mannose", "GDP-4-oxo-6-deoxy-D-mannose" ] }, { "compound_id": "C01223", "inchi": "InChI=1S/C9H15N3O3/c1-3-4-5-7(9(14)15-2)12-8(13)6-11-10/h7H,3-6H2,1-2H3/p+1/t7-/m0/s1", "name": "Methyl 2-diazoacetamidohexonate", "names": [ "Methyl 2-diazoacetamidohexonate" ] }, { "compound_id": "C01224", "inchi": null, "name": "N-Acetyl-beta-D-galactosaminide", "names": [ "N-Acetyl-beta-D-galactosaminide" ] }, { "compound_id": "C01225", "inchi": "InChI=1S/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/t3-,4-,5-,6+,7-,8-,9-/m1/s1", "name": "sn-glycero-3-Phospho-1-inositol", "names": [ "1-(sn-glycero-3-Phospho)-1D-myo-inositol", "sn-glycero-3-Phospho-1-inositol" ] }, { "compound_id": "C01226", "inchi": "InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1", "name": "12-OPDA", "names": [ "(15Z)-12-Oxophyto-10,15-dienoate", "(15Z)-12-Oxophyto-10,15-dienoic acid", "12-OPDA", "12-Oxo-10,15(Z)-phytodienoic acid", "9(S),13(S)-12-Oxo-PDA" ] }, { "compound_id": "C01227", "inchi": "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1", "name": "Dehydroepiandrosterone", "names": [ "3beta-Hydroxyandrost-5-en-17-one", "DHA", "DHEA", "Dehydroepiandrosterone", "Dehydroisoandrosterone" ] }, { "compound_id": "C01228", "inchi": "InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1", "name": "Guanosine 3',5'-bis(diphosphate)", "names": [ "Guanosine 3',5'-bis(diphosphate)", "Guanosine 3'-diphosphate 5'-diphosphate", "Guanosine 5'-diphosphate,3'-diphosphate" ] }, { "compound_id": "C01229", "inchi": null, "name": "Phospholipid olefinic fatty acid", "names": [ "Phospholipid olefinic fatty acid" ] }, { "compound_id": "C01230", "inchi": "InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/b26-15+,27-17+,28-19+,29-21+,30-23+", "name": "all-trans-Hexaprenyl diphosphate", "names": [ "all-trans-Hexaprenyl diphosphate" ] }, { "compound_id": "C01231", "inchi": "InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1", "name": "alpha-D-Glucose 1,6-bisphosphate", "names": [ "alpha-D-Glucose 1,6-biphosphate", "alpha-D-Glucose 1,6-bisphosphate" ] }, { "compound_id": "C01233", "inchi": "InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1", "name": "sn-glycero-3-Phosphoethanolamine", "names": [ "Glycerophosphoethanolamine", "sn-glycero-3-Phosphoethanolamine" ] }, { "compound_id": "C01234", "inchi": "InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)", "name": "1-Aminocyclopropane-1-carboxylate", "names": [ "1-Aminocyclopropane-1-carboxylate", "1-Aminocyclopropane-1-carboxylic acid" ] }, { "compound_id": "C01235", "inchi": "InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5-,6-,7+,8+,9+,10-,11?,12?/m1/s1", "name": "alpha-D-Galactosyl-(1->3)-1D-myo-inositol", "names": [ "1--d-galactosyl-myo-inositol", "1-alpha-D-Galactosyl-myo-inositol", "3-O-alpha-D-Galactosyl-1D-myo-inositol", "Galactinol", "O-alpha-D-Galactosyl-(1->3)-1D-myo-inositol", "alpha-D-Galactosyl-(1->3)-1D-myo-inositol" ] }, { "compound_id": "C01236", "inchi": "InChI=1S/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/t2-,3-,4+,5-/m1/s1", "name": "D-Glucono-1,5-lactone 6-phosphate", "names": [ "6-Phospho-D-glucono-1,5-lactone", "D-Glucono-1,5-lactone 6-phosphate" ] }, { "compound_id": "C01239", "inchi": "InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1", "name": "N-Acetyl-beta-D-glucosaminylamine", "names": [ "N-Acetyl-beta-D-glucosaminylamine" ] }, { "compound_id": "C01240", "inchi": null, "name": "2',3'-Cyclic nucleotide", "names": [ "2',3'-Cyclic nucleotide", "Nucleoside 2',3'-cyclic phosphate" ] }, { "compound_id": "C01241", "inchi": null, "name": "Phosphatidyl-N-methylethanolamine", "names": [ "Phosphatidyl-N-methylethanolamine" ] }, { "compound_id": "C01242", "inchi": null, "name": "S-Aminomethyldihydrolipoylprotein", "names": [ "H-Protein-S-aminomethyldihydrolipoyllysine", "S-Aminomethyldihydrolipoylprotein", "[Protein]-S8-aminomethyldihydrolipoyllysine", "s-aminomethyldihydro--lipoate" ] }, { "compound_id": "C01243", "inchi": "InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1", "name": "1D-myo-Inositol 1,3,4-trisphosphate", "names": [ "1D-myo-Inositol 1,3,4-trisphosphate", "D-myo-Inositol 1,3,4-trisphosphate", "Inositol 1,3,4-trisphosphate" ] }, { "compound_id": "C01244", "inchi": "InChI=1S/C9H6I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)", "name": "3,5-Diiodo-4-hydroxyphenylpyruvate", "names": [ "(3,5-diiodo-4-hydroxyphenyl)pyruvate", "3,5-Diiodo-4-hydroxyphenylpyruvate", "3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate" ] }, { "compound_id": "C01245", "inchi": "InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1", "name": "D-myo-Inositol 1,4,5-trisphosphate", "names": [ "1D-myo-Inositol 1,4,5-trisphosphate", "D-myo-Inositol 1,4,5-trisphosphate", "Inositol 1,4,5-trisphosphate", "Ins(1,4,5)P3" ] }, { "compound_id": "C01246", "inchi": "InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15+,25-17-/t26?,27-,28-,29+,30-,31+/m1/s1", "name": "Dolichyl beta-D-glucosyl phosphate", "names": [ "Dolichyl beta-D-glucosyl phosphate" ] }, { "compound_id": "C01247", "inchi": null, "name": "[Acetyl-CoA carboxylase] phosphate", "names": [ "[Acetyl-CoA carboxylase] phosphate" ] }, { "compound_id": "C01249", "inchi": "InChI=1S/C10H9NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,6,9,12,14H,(H,11,13)(H,15,16)", "name": "7,8-Dihydro-7,8-dihydroxykynurenate", "names": [ "7,8-Dihydro-7,8-dihydroxykynurenate" ] }, { "compound_id": "C01250", "inchi": "InChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1", "name": "N-Acetyl-L-glutamate 5-semialdehyde", "names": [ "2-Acetamido-5-oxopentanoate", "N-Acetyl-L-glutamate 5-semialdehyde" ] }, { "compound_id": "C01251", "inchi": "InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1", "name": "(R)-2-Hydroxybutane-1,2,4-tricarboxylate", "names": [ "(R)-2-Hydroxy-1,2,4-butanetricarboxylic acid", "(R)-2-Hydroxybutane-1,2,4-tricarboxylate", "3-Hydroxy-3-carboxyadipic acid", "Homocitrate", "Homocitric acid" ] }, { "compound_id": "C01252", "inchi": "InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)", "name": "4-(2-Aminophenyl)-2,4-dioxobutanoate", "names": [ "4-(2-Aminophenyl)-2,4-dioxobutanoate" ] }, { "compound_id": "C01253", "inchi": null, "name": "ADP-D-ribosyl-[dinitrogen reductase]", "names": [ "ADP-D-ribosyl-[dinitrogen reductase]" ] }, { "compound_id": "C01255", "inchi": "InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)", "name": "N-(6-Aminohexanoyl)-6-aminohexanoate", "names": [ "N-(6-Aminohexanoyl)-6-aminohexanoate" ] }, { "compound_id": "C01256", "inchi": null, "name": "[Pyruvate dehydrogenase (acetyl-transferring)]", "names": [ "[Pyruvate dehydrogenase (acetyl-transferring)]" ] }, { "compound_id": "C01259", "inchi": "InChI=1S/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/p+1/t7?,8-/m0/s1", "name": "3-Hydroxy-N6,N6,N6-trimethyl-L-lysine", "names": [ "3-Hydroxy-N6,N6,N6-trimethyl-L-lysine" ] }, { "compound_id": "C01260", "inchi": "InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1", "name": "P1,P4-Bis(5'-adenosyl) tetraphosphate", "names": [ "AppppA", "P1,P4-Bis(5'-adenosyl) tetraphosphate" ] }, { "compound_id": "C01261", "inchi": "InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1", "name": "P1,P4-Bis(5'-guanosyl) tetraphosphate", "names": [ "Bis(5'-guanosyl) tetraphosphate", "GppppG", "P1,P4-Bis(5'-guanosyl) tetraphosphate" ] }, { "compound_id": "C01262", "inchi": "InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1", "name": "beta-Alanyl-N(pi)-methyl-L-histidine", "names": [ "Anserine", "beta-Alanyl-N(pi)-methyl-L-histidine" ] }, { "compound_id": "C01263", "inchi": "InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1", "name": "(6aS,11aS)-3,6a,9-Trihydroxypterocarpan", "names": [ "(-)-Glycinol", "(6aS,11aS)-3,6a,9-Trihydroxypterocarpan", "3,6,9-Trihydroxypterocarpan" ] }, { "compound_id": "C01264", "inchi": null, "name": "2-Acetyl-1-alkyl-sn-glycero-3-phosphate", "names": [ "2-Acetyl-1-alkyl-sn-glycero-3-phosphate" ] }, { "compound_id": "C01265", "inchi": "InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3", "name": "3',4',5-Trihydroxy-3,7-dimethoxyflavone", "names": [ "3',4',5-Trihydroxy-3,7-dimethoxyflavone", "3,7-Di-O-methylquercetin" ] }, { "compound_id": "C01266", "inchi": "InChI=1S/C21H42N7O14P/c1-5-6(3-29)15(40-18-10(26-2)13(33)11(31)7(4-30)39-18)19(38-5)41-16-8(27-20(22)23)12(32)9(28-21(24)25)17(14(16)34)42-43(35,36)37/h5-19,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15?,16?,17-,18?,19?/m0/s1", "name": "3'-Deoxydihydrostreptomycin 6-phosphate", "names": [ "3'-Deoxydihydrostreptomycin 6-phosphate" ] }, { "compound_id": "C01267", "inchi": "InChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)", "name": "3-(Imidazol-4-yl)-2-oxopropyl phosphate", "names": [ "3-(Imidazol-4-yl)-2-oxopropyl phosphate", "Imidazole-acetol phosphate" ] }, { "compound_id": "C01268", "inchi": "InChI=1S/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12,13,16,17)/t2-,4-,5-,8-/m1/s1", "name": "5-Amino-6-(5'-phosphoribosylamino)uracil", "names": [ "5-Amino-6-(5'-phosphoribosylamino)uracil", "5-Amino-6-(5-phosphoribosylamino)uracil", "5-Amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate" ] }, { "compound_id": "C01269", "inchi": "InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7-,8+/m1/s1", "name": "5-O-(1-Carboxyvinyl)-3-phosphoshikimate", "names": [ "5-O-(1-Carboxyvinyl)-3-phosphoshikimate", "O5-(1-Carboxyvinyl)-3-phosphoshikimate" ] }, { "compound_id": "C01270", "inchi": "InChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)", "name": "3-Hydroxy-2-methylpyridine-5-carboxylate", "names": [ "3-Hydroxy-2-methylpyridine-5-carboxylate" ] }, { "compound_id": "C01271", "inchi": null, "name": "(3R)-3-Hydroxyacyl-[acyl-carrier protein]", "names": [ "(3R)-3-Hydroxyacyl-[acyl-carrier protein]", "(R)-3-Hydroxyacyl-[acyl-carrier protein]" ] }, { "compound_id": "C01272", "inchi": "InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1", "name": "1D-myo-Inositol 1,3,4,5-tetrakisphosphate", "names": [ "1D-myo-Inositol 1,3,4,5-tetrakisphosphate", "D-myo-Inositol 1,3,4,5-tetrakisphosphate", "Inositol 1,3,4,5-tetrakisphosphate" ] }, { "compound_id": "C01273", "inchi": "InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4-,11-8+", "name": "2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate", "names": [ "2,6-Dioxo-6-phenylhexa-3-enoate", "2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate" ] }, { "compound_id": "C01274", "inchi": "InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1", "name": "5-Formyl-5,6,7,8-tetrahydromethanopterin", "names": [ "5-Formyl-5,6,7,8-tetrahydromethanopterin", "5-Formyl-H4MPT" ] }, { "compound_id": "C01275", "inchi": "InChI=1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/b6-5+", "name": "(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate", "names": [ "(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate", "trans-2'-Carboxybenzalpyruvate" ] }, { "compound_id": "C01277", "inchi": null, "name": "1-Phosphatidyl-1D-myo-inositol 4-phosphate", "names": [ "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-4'-phosphate)", "1-Phosphatidyl-1D-myo-inositol 4-phosphate", "Phosphatidylinositol 4-phosphate" ] }, { "compound_id": "C01278", "inchi": "InChI=1S/C7H6O6/c8-4(9)3-7(6(11)12)2-1-5(10)13-7/h1-2H,3H2,(H,8,9)(H,11,12)", "name": "2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate", "names": [ "2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate", "4-Carboxymuconolactone", "5-Carboxy-2,5-dihydro-2-oxofuran-5-acetate", "gamma-Carboxymuconolactone" ] }, { "compound_id": "C01279", "inchi": "InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)", "name": "4-Amino-5-hydroxymethyl-2-methylpyrimidine", "names": [ "4-Amino-2-methyl-5-pyrimidinemethanol", "4-Amino-5-hydroxymethyl-2-methylpyrimidine", "Toxopyrimidine" ] }, { "compound_id": "C01280", "inchi": "InChI=1S/C21H43N7O18P2/c1-5-21(34,4-41-47(35,36)37)16(45-17-9(26-2)12(32)10(30)6(3-29)43-17)18(42-5)44-14-7(27-19(22)23)11(31)8(28-20(24)25)15(13(14)33)46-48(38,39)40/h5-18,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)(H2,38,39,40)/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14?,15-,16?,17?,18?,21+/m0/s1", "name": "Dihydrostreptomycin 3'alpha,6-bisphosphate", "names": [ "Dihydrostreptomycin 3'alpha,6-bisphosphate" ] }, { "compound_id": "C01281", "inchi": null, "name": "[L-Glutamate:ammonia ligase (ADP-forming)]", "names": [ "[L-Glutamate:ammonia ligase (ADP-forming)]", "[L-glutamate:ammonia ligase(adp-forming)]", "[l-glutamate:ammonia ligase(adp-forming)]" ] }, { "compound_id": "C01282", "inchi": null, "name": "1-Acyl-2-oleoyl-sn-glycero-3-phosphocholine", "names": [ "1-Acyl-2-oleoyl-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C01283", "inchi": "InChI=1S/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)/t1-,2-,3+,4+,5-,6-", "name": "1-Amino-1-deoxy-scyllo-inositol 4-phosphate", "names": [ "1-Amino-1-deoxy-scyllo-inositol 4-phosphate", "scyllo-Inosamine 4-phosphate" ] }, { "compound_id": "C01284", "inchi": "InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+", "name": "1D-myo-Inositol 1,3,4,5,6-pentakisphosphate", "names": [ "1D-myo-Inositol 1,3,4,5,6-pentakisphosphate", "D-myo-Inositol 1,3,4,5,6-pentakisphosphate", "Inositol 1,3,4,5,6-pentakisphosphate" ] }, { "compound_id": "C01285", "inchi": "InChI=1S/C16H11Cl2NO2/c17-12-7-9(8-13(18)16(12)21)19-14-5-6-15(20)11-4-2-1-3-10(11)14/h1-4,7-8,21H,5-6H2", "name": "2,6-Dichlorophenol-4-(1,4-naphthoquinone imine)", "names": [ "2,6-Dichlorophenol-4-(1,4-naphthoquinone imine)" ] }, { "compound_id": "C01286", "inchi": "InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5-/m1/s1", "name": "2-Dehydro-3-deoxy-D-galactonate 6-phosphate", "names": [ "2-Dehydro-3-deoxy-D-galactonate 6-phosphate" ] }, { "compound_id": "C01288", "inchi": null, "name": "N-Acetyl-D-glucosaminylphosphatidylinositol", "names": [ "6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol", "N-Acetyl-D-glucosaminylphosphatidylinositol" ] }, { "compound_id": "C01289", "inchi": "InChI=1S/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)(H,71,72)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t59-,60-,61-,62-,63-/m1/s1", "name": "N-Acetyl-D-glucosaminyldiphosphoundecaprenol", "names": [ "N-Acetyl-D-glucosaminyldiphosphoundecaprenol" ] }, { "compound_id": "C01290", "inchi": null, "name": "beta-D-Galactosyl-1,4-beta-D-glucosylceramide", "names": [ "D-Galactosyl-1,4-beta-D-glucosylceramide", "Gal-beta1->4Glc-beta1->1'Cer", "LacCer", "Lactosyl-N-acylsphingosine", "Lactosylceramide", "beta-D-Galactosyl-1,4-beta-D-glucosylceramide" ] }, { "compound_id": "C01291", "inchi": "InChI=1S/C32H50N7O19P3S/c1-18(2)6-5-7-19(12-22(41)42)13-23(43)62-11-10-34-21(40)8-9-35-30(46)27(45)32(3,4)15-55-61(52,53)58-60(50,51)54-14-20-26(57-59(47,48)49)25(44)31(56-20)39-17-38-24-28(33)36-16-37-29(24)39/h6,13,16-17,20,25-27,31,44-45H,5,7-12,14-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b19-13+/t20-,25-,26-,27?,31-/m1/s1", "name": "3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA", "names": [ "3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA", "Isohexenyl-glutaconyl-CoA" ] }, { "compound_id": "C01292", "inchi": "InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16?,17?,18?,19+,22?,23?,24?/m0/s1", "name": "3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate", "names": [ "3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate" ] }, { "compound_id": "C01293", "inchi": null, "name": "[Pyruvate dehydrogenase (acetyl-transferring)] phosphate", "names": [ "[Pyruvate dehydrogenase (acetyl-transferring)] phosphate" ] }, { "compound_id": "C01294", "inchi": "InChI=1S/C7H16N3O8P/c8-7(9)10-1-2(11)4(13)6(5(14)3(1)12)18-19(15,16)17/h1-6,11-14H,(H4,8,9,10)(H2,15,16,17)/t1-,2-,3+,4+,5-,6-", "name": "1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate", "names": [ "1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate", "N-Amidino-scyllo-inosamine 4-phosphate" ] }, { "compound_id": "C01295", "inchi": "InChI=1S/C7H12O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-3,5-9,11-12H,1H3/t2-,3+,5-,6+,7+/m1/s1", "name": "2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone", "names": [ "2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone", "5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone", "D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone" ] }, { "compound_id": "C01297", "inchi": "InChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14)", "name": "6-Hydroxypseudooxynicotine", "names": [ "1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one", "6-Hydroxypseudooxynicotine" ] }, { "compound_id": "C01298", "inchi": "InChI=1S/C7H16N4O4/c8-1-3(12)2(11-7(9)10)5(14)6(15)4(1)13/h1-6,12-15H,8H2,(H4,9,10,11)/t1-,2+,3-,4+,5-,6-/m0/s1", "name": "1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol", "names": [ "1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol", "Amidinostreptamine" ] }, { "compound_id": "C01299", "inchi": null, "name": "Adenylyl-[L-glutamate:ammonia ligase (ADP-forming)]", "names": [ "Adenylyl-[L-glutamate:ammonia ligase (ADP-forming)]", "Adenylyl-[l-glutamate:ammonia ligase(adp-forming)]", "[L-Glutamate:ammonia ligase (ADP-forming)] inactive form", "adenylyl-[l-glutamate:ammonia ligase(adp-forming)]" ] }, { "compound_id": "C01300", "inchi": "InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)", "name": "2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine", "names": [ "2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine" ] }, { "compound_id": "C01301", "inchi": "InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al", "names": [ "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al" ] }, { "compound_id": "C01302", "inchi": "InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)/t10-,11+/m1/s1", "name": "1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate", "names": [ "1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate" ] }, { "compound_id": "C01304", "inchi": "InChI=1S/C9H16N5O8P/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(22-8)1-21-23(18,19)20/h2,4-5,8,15-16H,1,10H2,(H2,18,19,20)(H4,11,12,13,14,17)/t2-,4-,5-,8-/m1/s1", "name": "2,5-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one", "names": [ "2,5-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate", "2,5-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one" ] }, { "compound_id": "C01306", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-1,3-N-acetyl-D-galactosaminyl-R", "names": [ "N-Acetyl-beta-D-glucosaminyl-1,3-N-acetyl-D-galactosaminyl-R", "N-Acetyl-beta-D-glucosaminyl-1,3-N-acetyl-beta-D-galactosaminyl-R" ] }, { "compound_id": "C01308", "inchi": null, "name": "[3-Methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring)] phosphate", "names": [ "[3-Methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring)] phosphate", "[3-Methyl-2-oxobutanoate dehydrogenase (lipoamide)] phosphate" ] }, { "compound_id": "C01310", "inchi": "InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13?,14-/m0/s1", "name": "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine", "names": [ "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine" ] }, { "compound_id": "C01311", "inchi": null, "name": "1,4-beta-D-Galactosyl-(alpha-1,3-L-fucosyl)-N-acetyl-D-glucosaminyl-R", "names": [ "1,4-beta-D-Galactosyl-(alpha-1,3-L-fucosyl)-N-acetyl-D-glucosaminyl-R" ] }, { "compound_id": "C01312", "inchi": "InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1", "name": "Prostaglandin I2", "names": [ "(5Z,13E)-(15S)-6,9alpha-Epoxy-11alpha,15-dihydroxyprosta-5,13-dienoate", "Epoprostenol", "PGI2", "Prostacyclin", "Prostaglandin I2" ] }, { "compound_id": "C01313", "inchi": "InChI=1S/C15H18N2O6S/c18-14(19)5-16-15(20)10-4-9(11(6-24)17(10)21)8-1-2-12-13(3-8)23-7-22-12/h1-3,9-11,21,24H,4-7H2,(H,16,20)(H,18,19)/t9?,10-,11?/m0/s1", "name": "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine", "names": [ "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine" ] }, { "compound_id": "C01314", "inchi": "InChI=1S/C16H20N2O6S/c1-8(16(20)21)17-15(19)11-5-10(12(6-25)18(11)22)9-2-3-13-14(4-9)24-7-23-13/h2-4,8,10-12,22,25H,5-7H2,1H3,(H,17,19)(H,20,21)/t8-,10?,11-,12?/m0/s1", "name": "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine", "names": [ "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine" ] }, { "compound_id": "C01315", "inchi": "InChI=1S/C24H26N2O7S/c1-15(27)34-13-20-18(17-7-8-21-22(9-17)33-14-32-21)10-19(26(20)30)24(29)25-11-23(28)31-12-16-5-3-2-4-6-16/h2-9,18-20,30H,10-14H2,1H3,(H,25,29)/t18?,19-,20?/m0/s1", "name": "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]glycine benzyl ester", "names": [ "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]glycine benzyl ester" ] }, { "compound_id": "C01316", "inchi": "InChI=1S/C25H28N2O7S/c1-15(25(30)32-12-17-6-4-3-5-7-17)26-24(29)20-11-19(21(27(20)31)13-35-16(2)28)18-8-9-22-23(10-18)34-14-33-22/h3-10,15,19-21,31H,11-14H2,1-2H3,(H,26,29)/t15-,19?,20-,21?/m0/s1", "name": "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester", "names": [ "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester" ] }, { "compound_id": "C01319", "inchi": "InChI=1S/Hg", "name": "Hg", "names": [ "Elemental mercury", "Hg", "Mercury" ] }, { "compound_id": "C01321", "inchi": null, "name": "RI", "names": [ "RI" ] }, { "compound_id": "C01322", "inchi": null, "name": "RX", "names": [ "Organic halide", "RX" ] }, { "compound_id": "C01324", "inchi": "InChI=1S/BrH/h1H/p-1", "name": "Bromide", "names": [ "Br-", "Bromide" ] }, { "compound_id": "C01326", "inchi": "InChI=1S/CHN/c1-2/h1H", "name": "Hydrogen cyanide", "names": [ "HCN", "Hydrogen cyanide" ] }, { "compound_id": "C01327", "inchi": "InChI=1S/ClH/h1H", "name": "Hydrochloric acid", "names": [ "HCl", "Hydrochloric acid", "Hydrochloride", "Hydrogen chloride" ] }, { "compound_id": "C01328", "inchi": "InChI=1S/H2O/h1H2/p-1", "name": "HO-", "names": [ "HO-", "Hydroxide ion", "OH-" ] }, { "compound_id": "C01329", "inchi": null, "name": "Nucleoside phosphate", "names": [ "NMP", "Nucleoside monophosphate", "Nucleoside phosphate" ] }, { "compound_id": "C01330", "inchi": "InChI=1S/Na/q+1", "name": "Sodium cation", "names": [ "Na+", "Sodium cation", "Sodium ion", "Sodium(1+)" ] }, { "compound_id": "C01334", "inchi": null, "name": "RCl", "names": [ "RCl" ] }, { "compound_id": "C01335", "inchi": null, "name": "ROH", "names": [ "ROH" ] }, { "compound_id": "C01336", "inchi": null, "name": "Aryl thiol", "names": [ "Aryl thiol", "RSH" ] }, { "compound_id": "C01337", "inchi": "InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1", "name": "XDP", "names": [ "XDP", "Xanthosine 5'-pyrophosphate" ] }, { "compound_id": "C01341", "inchi": "InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1", "name": "E-64", "names": [ "E-64", "Proteinase inhibitor E 64" ] }, { "compound_id": "C01342", "inchi": "InChI=1S/H3N/h1H3/p+1", "name": "NH4+", "names": [ "Ammonia ion", "Ammonium(1+)", "NH4+" ] }, { "compound_id": "C01343", "inchi": null, "name": "Alkylmercury", "names": [ "Alkylmercury", "Alkylmercury ion", "RHg+" ] }, { "compound_id": "C01344", "inchi": "InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1", "name": "dIDP", "names": [ "2'-Deoxyinosine 5'-diphosphate", "2'-Deoxyinosine-5'-diphosphate", "dIDP" ] }, { "compound_id": "C01345", "inchi": "InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1", "name": "dITP", "names": [ "2'-Deoxyinosine 5'-triphosphate", "2'-Deoxyinosine-5'-triphosphate", "dITP" ] }, { "compound_id": "C01346", "inchi": "InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", "name": "dUDP", "names": [ "2'-Deoxyuridine 5'-diphosphate", "dUDP" ] }, { "compound_id": "C01347", "inchi": "InChI=1S/C10H14N4O11P2/c15-4-1-6(14-3-11-7-8(14)12-10(17)13-9(7)16)24-5(4)2-23-27(21,22)25-26(18,19)20/h3-6,15H,1-2H2,(H,21,22)(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1", "name": "dXDP", "names": [ "dXDP" ] }, { "compound_id": "C01348", "inchi": "InChI=1S/C10H15N4O14P3/c15-4-1-6(14-3-11-7-8(14)12-10(17)13-9(7)16)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,15H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1", "name": "dXTP", "names": [ "dXTP" ] }, { "compound_id": "C01349", "inchi": "InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3", "name": "AA861", "names": [ "AA861", "Docebenone" ] }, { "compound_id": "C01352", "inchi": "InChI=1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1", "name": "FADH2", "names": [ "FADH2", "reduced flavin-adenine dinucleotide" ] }, { "compound_id": "C01353", "inchi": "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1", "name": "carbonic acid", "names": [ "carbonic acid" ] }, { "compound_id": "C01355", "inchi": null, "name": "Fructan", "names": [ "Fructan", "beta-D-Fructan" ] }, { "compound_id": "C01356", "inchi": null, "name": "Lipid", "names": [ "Lipid" ] }, { "compound_id": "C01358", "inchi": "InChI=1S/H3N.H2O/h1H3;1H2", "name": "NH4OH", "names": [ "Ammonium hydroxide", "NH4OH" ] }, { "compound_id": "C01359", "inchi": "InChI=1S/C14H8N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15,17-18H,(H,19,20)(H,21,22)(H,23,24)", "name": "PQQH2", "names": [ "PQQH2", "Reduced pyrroloquinoline-quinone" ] }, { "compound_id": "C01362", "inchi": null, "name": "Ricin", "names": [ "Ricin" ] }, { "compound_id": "C01365", "inchi": null, "name": "X-Trp", "names": [ "X-Trp" ] }, { "compound_id": "C01367", "inchi": "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "3'-AMP", "names": [ "3'-AMP", "3'-Adenosine monophosphate", "3'-Adenylic acid", "AMP 3'-phosphate", "Adenosine 3'-phosphate", "Adenosine-3'-monophosphate", "adenosine 3'-monophosphate" ] }, { "compound_id": "C01368", "inchi": "InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "3'-UMP", "names": [ "3'-UMP", "Uridine 3'-monophosphate", "Uridine 3'-phosphate" ] }, { "compound_id": "C01370", "inchi": null, "name": "Aldose", "names": [ "Aldose" ] }, { "compound_id": "C01371", "inchi": null, "name": "Alkane", "names": [ "Alkane", "RH" ] }, { "compound_id": "C01372", "inchi": null, "name": "Alkene", "names": [ "Alkene" ] }, { "compound_id": "C01375", "inchi": "InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1", "name": "Tacrolimus", "names": [ "FK 506", "FK506", "Tacrolimus" ] }, { "compound_id": "C01378", "inchi": "InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1", "name": "Fustin", "names": [ "2,3-Dihydrofisetin", "Fustin" ] }, { "compound_id": "C01380", "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2", "name": "Ethylene glycol", "names": [ "1,2-Ethanediol", "Ethane-1,2-diol", "Ethylene glycol" ] }, { "compound_id": "C01382", "inchi": "InChI=1S/I2/c1-2", "name": "Iodine", "names": [ "I2", "Iodine" ] }, { "compound_id": "C01384", "inchi": "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-", "name": "Maleic acid", "names": [ "Maleate", "Maleic acid", "cis-Butenedioic acid" ] }, { "compound_id": "C01386", "inchi": "InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3", "name": "NH2Mec", "names": [ "7-Amino-4-methylcoumarin", "NH2Mec" ] }, { "compound_id": "C01387", "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", "name": "Octane", "names": [ "Octane", "n-Octane" ] }, { "compound_id": "C01389", "inchi": "InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1", "name": "Phytol", "names": [ "Phytol" ] }, { "compound_id": "C01390", "inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3", "name": "Prenol", "names": [ "3-Methyl-2-buten-1-ol", "Prenol", "Prenyl alcohol" ] }, { "compound_id": "C01392", "inchi": null, "name": "alpha-Tubulin", "names": [ "C-terminal-tyrosinated alpha-Tubulin", "alpha-Tubulin" ] }, { "compound_id": "C01394", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1", "name": "Xylose", "names": [ "Xylose" ] }, { "compound_id": "C01397", "inchi": "InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-", "name": "Arachidonyltrifluoromethane", "names": [ "AACOCF3", "Arachidonyltrifluoromethane" ] }, { "compound_id": "C01398", "inchi": null, "name": "Acyloin", "names": [ "Acyloin" ] }, { "compound_id": "C01399", "inchi": null, "name": "Agarose", "names": [ "Agarose" ] }, { "compound_id": "C01401", "inchi": "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)", "name": "Alanine", "names": [ "2-Aminopropanoic acid", "2-Aminopropionic acid", "Alanine" ] }, { "compound_id": "C01402", "inchi": null, "name": "Anilide", "names": [ "Anilide" ] }, { "compound_id": "C01403", "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3", "name": "Anisole", "names": [ "Anisole", "Methoxybenzene", "Methyl phenyl ether", "Phenol methyl ether" ] }, { "compound_id": "C01404", "inchi": "InChI=1S/C8H18N4O2/c1-2-14-7(13)6(9)4-3-5-12-8(10)11/h6H,2-5,9H2,1H3,(H4,10,11,12)/t6-/m0/s1", "name": "Arg-OEt", "names": [ "Arg-OEt" ] }, { "compound_id": "C01405", "inchi": "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)", "name": "Aspirin", "names": [ "2-Acetoxybenzenecarboxylic acid", "Acetylsalicylate", "Acetylsalicylic acid", "Aspirin" ] }, { "compound_id": "C01407", "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H", "name": "Benzene", "names": [ "Benzene" ] }, { "compound_id": "C01408", "inchi": "InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H", "name": "Benzoin", "names": [ "2-Hydroxy-1,2-diphenylethanone", "Benzoin", "Benzoin tincture" ] }, { "compound_id": "C01410", "inchi": "InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1", "name": "Boc-Asn", "names": [ "Boc-Asn", "N-alpha-Boc-L-asparagine" ] }, { "compound_id": "C01411", "inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3", "name": "Borneol", "names": [ "Borneol" ] }, { "compound_id": "C01412", "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3", "name": "Butanal", "names": [ "Butanal", "Butyraldehyde" ] }, { "compound_id": "C01413", "inchi": "InChI=1S/Cd", "name": "Cadmium", "names": [ "Cadmium" ] }, { "compound_id": "C01414", "inchi": "InChI=1S/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+", "name": "Casbene", "names": [ "Casbene" ] }, { "compound_id": "C01416", "inchi": "InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1", "name": "Cocaine", "names": [ "Cocaine", "beta-Cocain", "l-Cocain" ] }, { "compound_id": "C01417", "inchi": "InChI=1S/CHNO/c2-1-3/h3H", "name": "Cyanate", "names": [ "Cyanate", "Cyanic acid" ] }, { "compound_id": "C01418", "inchi": "InChI=1S/C8H16N2O7/c1-10(15)9-3-16-8-7(14)6(13)5(12)4(2-11)17-8/h4-8,11-14H,2-3H2,1H3/b10-9-/t4-,5-,6+,7-,8-/m1/s1", "name": "Cycasin", "names": [ "Cycasin" ] }, { "compound_id": "C01419", "inchi": "InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1", "name": "Cys-Gly", "names": [ "Cys-Gly", "L-Cysteinylglycine" ] }, { "compound_id": "C01420", "inchi": "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)", "name": "Cystine", "names": [ "Cystine", "Dicysteine", "alpha-Diamino-beta-dithiolactic acid" ] }, { "compound_id": "C01421", "inchi": "InChI=1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1", "name": "Daphnin", "names": [ "Daphnin" ] }, { "compound_id": "C01424", "inchi": "InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)", "name": "Gallate", "names": [ "3,4,5-Trihydroxybenzoate", "3,4,5-Trihydroxybenzoic acid", "Gallate", "Gallic acid", "Pyrogallol-5-carboxylic acid" ] }, { "compound_id": "C01425", "inchi": "InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1", "name": "Glutamyl-glutamic acid", "names": [ "Glu-Glu", "Glutamyl-glutamic acid", "L-alpha-Glutamyl-L-glutamic acid" ] }, { "compound_id": "C01432", "inchi": "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)", "name": "Lactate", "names": [ "2-Hydroxypropanoic acid", "2-Hydroxypropionic acid", "Lactate", "Lactic acid" ] }, { "compound_id": "C01433", "inchi": "InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1", "name": "Loganin", "names": [ "Loganin" ] }, { "compound_id": "C01438", "inchi": "InChI=1S/CH4/h1H4", "name": "Methane", "names": [ "Methane" ] }, { "compound_id": "C01441", "inchi": "InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1", "name": "Neamine", "names": [ "Neamine", "Neomycin A" ] }, { "compound_id": "C01443", "inchi": "InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1", "name": "Ouabain", "names": [ "G-Strophanthin", "Ouabain" ] }, { "compound_id": "C01444", "inchi": "InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)", "name": "Oxamate", "names": [ "Oxalic monoamide", "Oxamate", "Oxamic acid" ] }, { "compound_id": "C01445", "inchi": "InChI=1S/C30H37N15O19P2/c31-28-37-19-10(22(51)40-28)34-4-43(19)25-14(48)13(47)8(61-25)2-58-65(54,55)64-18-9(62-27(16(18)50)45-6-36-12-21(45)39-30(33)42-24(12)53)3-59-66(56,57)63-17-7(1-46)60-26(15(17)49)44-5-35-11-20(44)38-29(32)41-23(11)52/h4-9,13-18,25-27,46-50H,1-3H2,(H,54,55)(H,56,57)(H3,31,37,40,51)(H3,32,38,41,52)(H3,33,39,42,53)/t7-,8-,9-,13-,14-,15-,16-,17-,18-,25-,26-,27-/m1/s1", "name": "Poly(G)", "names": [ "Poly(G)" ] }, { "compound_id": "C01448", "inchi": "InChI=1S/C16H12O5/c1-7-3-9-13(11(18)4-7)16(20)14-10(15(9)19)5-8(17)6-12(14)21-2/h3-6,17-18H,1-2H3", "name": "Questin", "names": [ "Questin" ] }, { "compound_id": "C01449", "inchi": "InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1", "name": "Queuine", "names": [ "Base Q", "Queuine" ] }, { "compound_id": "C01450", "inchi": null, "name": "Ketone", "names": [ "Ketone", "R-CO-R'" ] }, { "compound_id": "C01451", "inchi": "InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1", "name": "Salicin", "names": [ "Salicin", "Salicoside" ] }, { "compound_id": "C01452", "inchi": "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1", "name": "Sorbose", "names": [ "DL-Sorbose", "Sorbose", "xylo-Hexulose" ] }, { "compound_id": "C01453", "inchi": "InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)", "name": "Tacrine", "names": [ "Tacrine" ] }, { "compound_id": "C01454", "inchi": "InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)", "name": "Toluate", "names": [ "4-Methylbenzoic acid", "Crithminic acid", "Toluate", "Toluenecarboxylic acid", "p-Toluate", "p-Toluic acid" ] }, { "compound_id": "C01455", "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3", "name": "Toluene", "names": [ "Methylbenzene", "Toluene", "Toluol" ] }, { "compound_id": "C01456", "inchi": "InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)", "name": "Tropate", "names": [ "Tropate", "Tropic acid", "alpha-(Hydroxymethyl)phenylacetic acid" ] }, { "compound_id": "C01457", "inchi": "InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35?,36-,37-,38-,39?,40-,41-,42-,43+,44?,45-,46-/m1/s1", "name": "Tylosin", "names": [ "Tylosin" ] }, { "compound_id": "C01458", "inchi": "InChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1", "name": "Tyr-OEt", "names": [ "Tyr-OEt" ] }, { "compound_id": "C01460", "inchi": "InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1", "name": "Vitexin", "names": [ "Apigenin 8-C-glucoside", "Vitexin" ] }, { "compound_id": "C01464", "inchi": "InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2", "name": "Xanthan", "names": [ "Xanthan", "Xanthene" ] }, { "compound_id": "C01467", "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3", "name": "3-Cresol", "names": [ "3-Cresol", "3-Hydroxytoluene", "m-Cresol" ] }, { "compound_id": "C01468", "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3", "name": "4-Cresol", "names": [ "4-Cresol", "4-Hydroxytoluene", "4-Methylphenol", "p-Cresol" ] }, { "compound_id": "C01469", "inchi": null, "name": "ADP-sugar", "names": [ "ADP--s", "ADP-sugar", "adp--s" ] }, { "compound_id": "C01470", "inchi": "InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3", "name": "Acacetin", "names": [ "4'-Methoxy-5,7-dihydroxyflavone", "5,7-Dihydroxy-4'-methoxyflavone", "Acacetin" ] }, { "compound_id": "C01471", "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2", "name": "Acrolein", "names": [ "Acrolein", "Acrylaldehyde", "Acrylic aldehyde", "Propenal" ] }, { "compound_id": "C01474", "inchi": "InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H", "name": "Alizarin", "names": [ "1,2-Dihydroxyanthraquinone", "Alizarin", "Dihydroxy-9,10-anthracenedione", "Dihydroxyanthraquinone" ] }, { "compound_id": "C01477", "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H", "name": "Apigenin", "names": [ "4',5,7-Trihydroxyflavone", "5,7,4'-Trihydroxyflavone", "Apigenin" ] }, { "compound_id": "C01478", "inchi": "InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)", "name": "Arsenic acid", "names": [ "Arsenic acid", "Orthoarsenic acid" ] }, { "compound_id": "C01479", "inchi": "InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?", "name": "Atropine", "names": [ "Atropine", "dl-Hyoscyamine" ] }, { "compound_id": "C01481", "inchi": "InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+", "name": "Caffeate", "names": [ "3,4-Dihydroxycinnamic acid", "Caffeate", "Caffeic acid" ] }, { "compound_id": "C01484", "inchi": "InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+", "name": "Chalcone", "names": [ "1,3-Diphenyl-2-propen-1-one", "Benzylideneacetophenone", "Chalcone" ] }, { "compound_id": "C01485", "inchi": "InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)", "name": "Chloric acid", "names": [ "Chlorate", "Chloric acid" ] }, { "compound_id": "C01486", "inchi": "InChI=1S/ClHO2/c2-1-3/h(H,2,3)", "name": "Chlorous acid", "names": [ "Chlorite", "Chlorous acid" ] }, { "compound_id": "C01487", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1", "name": "D-Allose", "names": [ "D-Allose" ] }, { "compound_id": "C01488", "inchi": "InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2", "name": "D-Apiose", "names": [ "D-Apiose" ] }, { "compound_id": "C01489", "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m1/s1", "name": "D-Iditol", "names": [ "D-Iditol" ] }, { "compound_id": "C01490", "inchi": null, "name": "Dermatan", "names": [ "Dermatan", "Dermatan L-iduronate" ] }, { "compound_id": "C01491", "inchi": null, "name": "Factor H", "names": [ "Complement factor H", "Factor H" ] }, { "compound_id": "C01493", "inchi": null, "name": "Farnesol", "names": [ "Farnesol" ] }, { "compound_id": "C01494", "inchi": "InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+", "name": "Ferulate", "names": [ "3-Methoxy-4-hydroxy-trans-cinnamate", "4-Hydroxy-3-methoxycinnamic acid", "Ferulate", "Ferulic acid" ] }, { "compound_id": "C01495", "inchi": "InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H", "name": "Flavonol", "names": [ "Flavonol" ] }, { "compound_id": "C01496", "inchi": null, "name": "Fructose", "names": [ "Fructose", "arabino-Hexulose" ] }, { "compound_id": "C01498", "inchi": null, "name": "Gelatine", "names": [ "Gelatin", "Gelatine" ] }, { "compound_id": "C01499", "inchi": "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+", "name": "Geranial", "names": [ "Geranial", "trans-Citral" ] }, { "compound_id": "C01500", "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+", "name": "Geraniol", "names": [ "Geraniol" ] }, { "compound_id": "C01501", "inchi": null, "name": "Glucagon", "names": [ "Glucagon" ] }, { "compound_id": "C01502", "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3", "name": "o-Methoxyphenol", "names": [ "Catechol monomethyl ether", "Guaiacol", "o-Methoxyphenol" ] }, { "compound_id": "C01504", "inchi": "InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2", "name": "Indanone", "names": [ "1-Indanone", "1H-Inden-1-one, 2,3-dihydro-", "Hydrindone", "Indanone" ] }, { "compound_id": "C01505", "inchi": "InChI=1S/C56H85N17O12/c57-24-8-7-18-36(58)46(76)67-37(19-9-25-63-55(59)60)51(81)73-29-13-23-44(73)53(83)72-28-11-21-42(72)49(79)65-32-45(75)66-39(30-34-14-3-1-4-15-34)47(77)70-41(33-74)52(82)71-27-12-22-43(71)50(80)69-40(31-35-16-5-2-6-17-35)48(78)68-38(54(84)85)20-10-26-64-56(61)62/h1-6,14-17,36-44,74H,7-13,18-33,57-58H2,(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,80)(H,70,77)(H,84,85)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1", "name": "Kallidin", "names": [ "Kallidin", "Lysyl-bradykinin", "Lysylbradykinin" ] }, { "compound_id": "C01506", "inchi": null, "name": "L-Glycol", "names": [ "L-Glycol" ] }, { "compound_id": "C01507", "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1", "name": "L-Iditol", "names": [ "L-Iditol" ] }, { "compound_id": "C01508", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5?/m0/s1", "name": "L-Lyxose", "names": [ "L-Lyxose", "Lyxose", "lyxose" ] }, { "compound_id": "C01510", "inchi": "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5?/m0/s1", "name": "L-Xylose", "names": [ "L-Xylofuranose", "L-Xylose" ] }, { "compound_id": "C01512", "inchi": "InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1", "name": "Loganate", "names": [ "Loganate", "Loganic acid" ] }, { "compound_id": "C01513", "inchi": "InChI=1S/C13H18N6O3/c1-8(5-20)2-3-15-11-10-12(17-6-16-11)19(7-18-10)4-9(14)13(21)22/h2,6-7,9,20H,3-5,14H2,1H3,(H,21,22)(H,15,16,17)/b8-2+/t9-/m1/s1", "name": "Lupinate", "names": [ "(S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid", "3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine", "Lupinate", "Lupinic acid" ] }, { "compound_id": "C01514", "inchi": "InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H", "name": "Luteolin", "names": [ "3',4',5,7-Tetrahydroxyflavone", "5,7,3',4'-Tetrahydroxyflavone", "Luteolin" ] }, { "compound_id": "C01516", "inchi": "InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1", "name": "Morphine", "names": [ "Morphine" ] }, { "compound_id": "C01517", "inchi": "InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)", "name": "Naproxen", "names": [ "Naproxen" ] }, { "compound_id": "C01518", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10?,11?,12?/m1/s1", "name": "Nigerose", "names": [ "3-O-alpha-D-Glucopyranosyl-D-glucose", "Nigerose", "Sakebiose" ] }, { "compound_id": "C01520", "inchi": null, "name": "Pachyman", "names": [ "Pachyman" ] }, { "compound_id": "C01523", "inchi": "InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1", "name": "Pregnane", "names": [ "5beta-Pregnane", "Pregnane" ] }, { "compound_id": "C01525", "inchi": null, "name": "R'C(R)SH", "names": [ "R'C(R)SH" ] }, { "compound_id": "C01526", "inchi": "InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3", "name": "Ricinine", "names": [ "Ricinine" ] }, { "compound_id": "C01527", "inchi": "InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1", "name": "Scopolin", "names": [ "Scopolin" ] }, { "compound_id": "C01528", "inchi": "InChI=1S/H2Se/h1H2", "name": "Hydrogen selenide", "names": [ "Hydrogen selenide", "Selenide" ] }, { "compound_id": "C01529", "inchi": "InChI=1/Se", "name": "Selenium", "names": [ "Selenium" ] }, { "compound_id": "C01530", "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)", "name": "Octadecanoic acid", "names": [ "Octadecanoic acid", "Stearate", "Stearic acid" ] }, { "compound_id": "C01531", "inchi": "InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+", "name": "Sulindac", "names": [ "Sulindac" ] }, { "compound_id": "C01533", "inchi": "InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1", "name": "Syringin", "names": [ "Eleutheroside B", "Syringin" ] }, { "compound_id": "C01536", "inchi": "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)", "name": "DL-Tyrosine", "names": [ "2-Amino-3-(p-hydroxyphenyl)propionic acid", "3-(p-Hydroxyphenyl)alanine", "DL-Tyrosine", "Tyrosine" ] }, { "compound_id": "C01537", "inchi": "InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)", "name": "Urethane", "names": [ "Ethyl carbamate", "Urethane" ] }, { "compound_id": "C01540", "inchi": "InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1", "name": "Viomycin", "names": [ "Viomycin" ] }, { "compound_id": "C01541", "inchi": "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3", "name": "Warfarin", "names": [ "Warfarin" ] }, { "compound_id": "C01542", "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3", "name": "o-Cresol", "names": [ "2-Hydroxytoluene", "o-Cresol", "o-Methylphenol" ] }, { "compound_id": "C01545", "inchi": "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3", "name": "1-Octanal", "names": [ "1-Caprylaldehyde", "1-Octaldehyde", "1-Octanal", "1-Octylaldehyde", "Octanal", "octanal" ] }, { "compound_id": "C01546", "inchi": "InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)", "name": "2-Furoate", "names": [ "2-Furancarboxylic acid", "2-Furoate", "2-Furoic acid", "Pyromucic acid" ] }, { "compound_id": "C01547", "inchi": null, "name": "ADP-aldose", "names": [ "ADP-aldose" ] }, { "compound_id": "C01548", "inchi": "InChI=1S/C2H2/c1-2/h1-2H", "name": "Acetylene", "names": [ "Acetylene", "Ethyne" ] }, { "compound_id": "C01550", "inchi": "InChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1", "name": "Agaritine", "names": [ "Agaritine" ] }, { "compound_id": "C01551", "inchi": "InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)", "name": "Allantoin", "names": [ "5-Ureidohydantoin", "Allantoin", "Glyoxyldiureide" ] }, { "compound_id": "C01552", "inchi": "InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m1/s1", "name": "Amastatin", "names": [ "Amastatin" ] }, { "compound_id": "C01553", "inchi": "InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)", "name": "Amsacrine", "names": [ "4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide", "Amsacrine", "mAMSA" ] }, { "compound_id": "C01554", "inchi": "InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1", "name": "5alpha-Androstane", "names": [ "5alpha-Androstane" ] }, { "compound_id": "C01555", "inchi": "InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1", "name": "Apramycin", "names": [ "Apramycin" ] }, { "compound_id": "C01557", "inchi": "InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3", "name": "Bergapten", "names": [ "5-Methoxyfuranocoumarin", "5-Methoxypsoralen", "Bergapten", "O-Methylbergaptol" ] }, { "compound_id": "C01558", "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16?,17?,18?,19+,20-,22?,23?,24?/m0/s1", "name": "Bile salt", "names": [ "Bile acid", "Bile salt" ] }, { "compound_id": "C01559", "inchi": null, "name": "Butirosin", "names": [ "Butirosin" ] }, { "compound_id": "C01561", "inchi": "InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1", "name": "Calcidiol", "names": [ "25-Hydroxyvitamin D3", "Calcidiol", "Calcifediol", "Calcifediol anhydrous" ] }, { "compound_id": "C01562", "inchi": "InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3", "name": "Calycosin", "names": [ "Calycosin" ] }, { "compound_id": "C01563", "inchi": "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)", "name": "Carbamate", "names": [ "Aminoformic acid", "Ammonium carbamate", "Carbamate", "Carbamic acid", "ammonium carbamate" ] }, { "compound_id": "C01564", "inchi": "InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13-,14-", "name": "Cetraxate", "names": [ "Cetraxate" ] }, { "compound_id": "C01566", "inchi": "InChI=1S/CH2N2/c2-1-3/h2H2", "name": "Cyanamide", "names": [ "Carbodiimide", "Cyanamide" ] }, { "compound_id": "C01567", "inchi": "InChI=1S/C17H23N7O5/c1-23-6-4-9(20-16(23)19)8-12(25)21-10-2-3-13(29-14(10)15(26)27)24-7-5-11(18)22-17(24)28/h2-3,5,7,9-10,13-14H,4,6,8H2,1H3,(H2,19,20)(H,21,25)(H,26,27)(H2,18,22,28)", "name": "Cytomycin", "names": [ "Cytomycin" ] }, { "compound_id": "C01569", "inchi": "InChI=1S/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2/t4-/m0/s1", "name": "D-Apiitol", "names": [ "3-(Hydroxymethyl)erythritol", "D-Apiitol" ] }, { "compound_id": "C01570", "inchi": "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1", "name": "D-Leucine", "names": [ "D-2-Amino-4-methylvaleric acid", "D-Leucine" ] }, { "compound_id": "C01571", "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)", "name": "Decanoic acid", "names": [ "1-decanoic acid", "Decanoate", "Decanoic acid", "Decylic acid", "n-Capric acid", "n-Decanoic acid", "n-decanoic acid" ] }, { "compound_id": "C01572", "inchi": "InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)", "name": "Digallate", "names": [ "Digallate", "Digallic acid" ] }, { "compound_id": "C01573", "inchi": null, "name": "Peptide diphthine", "names": [ "Diphthine", "EF-2 diphthine", "Elongation factor 2 diphthine", "Peptide diphthine" ] }, { "compound_id": "C01574", "inchi": null, "name": "Dynorphin", "names": [ "Dynorphin", "Dynorphin A" ] }, { "compound_id": "C01575", "inchi": "InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1", "name": "Ephedrine", "names": [ "(-)-Ephedrine", "Ephedrine", "L-Ephedrine" ] }, { "compound_id": "C01576", "inchi": "InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26?,27-,29?/m1/s1", "name": "Etoposide", "names": [ "Etoposide", "VP-16" ] }, { "compound_id": "C01579", "inchi": null, "name": "Flavonoid", "names": [ "Flavonoid" ] }, { "compound_id": "C01581", "inchi": "InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4?,5-,7?,8-,9?,10-,11?,14-,15-/m1/s1", "name": "GDPhexose", "names": [ "GDPhexose" ] }, { "compound_id": "C01582", "inchi": "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6-/m0/s1", "name": "Galactose", "names": [ "Galactose" ] }, { "compound_id": "C01585", "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)", "name": "Hexanoic acid", "names": [ "Hexanoate", "Hexanoic acid", "Hexylic acid", "n-Caproic acid" ] }, { "compound_id": "C01586", "inchi": "InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)", "name": "Hippurate", "names": [ "Benzoylaminoacetic acid", "Hippurate", "Hippuric acid", "N-Benzoylglycine" ] }, { "compound_id": "C01588", "inchi": "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)", "name": "Ibuprofen", "names": [ "Ibuprofen" ] }, { "compound_id": "C01589", "inchi": "InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)", "name": "Imidazole", "names": [ "1,3-Diazole", "Glyoxaline", "Imidazole" ] }, { "compound_id": "C01590", "inchi": "InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3", "name": "Kievitone", "names": [ "Kievitone" ] }, { "compound_id": "C01591", "inchi": "InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15?,16-,17-/m0/s1", "name": "Leupeptin", "names": [ "Leupeptin" ] }, { "compound_id": "C01592", "inchi": "InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-7,16-17,19H,8H2", "name": "Licodione", "names": [ "Licodione" ] }, { "compound_id": "C01593", "inchi": "InChI=1S/C26H34O10/c1-22(2)15-9-16(28)24(4)14(25(15,12-27)17(35-22)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,27,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1", "name": "Limonoate", "names": [ "Limonoate" ] }, { "compound_id": "C01594", "inchi": "InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1", "name": "Linamarin", "names": [ "Linamarin", "Phaseolunatin" ] }, { "compound_id": "C01595", "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-", "name": "Linoleate", "names": [ "(9Z,12Z)-Octadecadienoic acid", "9-cis,12-cis-Octadecadienoate", "9-cis,12-cis-Octadecadienoic acid", "Linoleate", "Linoleic acid" ] }, { "compound_id": "C01596", "inchi": "InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1-", "name": "Maleamate", "names": [ "Maleamate", "Maleamic acid" ] }, { "compound_id": "C01598", "inchi": "InChI=1S/C13H16N2O2/c1-9(16)14-6-5-11-7-10-8-12(17-2)3-4-13(10)15-11/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)", "name": "Melatonin", "names": [ "Melatonin", "N-Acetyl-5-methoxytryptamine" ] }, { "compound_id": "C01599", "inchi": null, "name": "NDP-aldose", "names": [ "NDP-aldose" ] }, { "compound_id": "C01600", "inchi": null, "name": "NDP-hexose", "names": [ "NDP-hexose" ] }, { "compound_id": "C01601", "inchi": "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)", "name": "Nonanoic acid", "names": [ "Nonanoate", "Nonanoic acid", "Pelargonic acid" ] }, { "compound_id": "C01602", "inchi": "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)", "name": "Ornithine", "names": [ "2,5-Diaminopentanoate", "2,5-Diaminopentanoic acid", "2,5-Diaminovaleric acid", "Ornithine" ] }, { "compound_id": "C01604", "inchi": "InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1", "name": "Phlorizin", "names": [ "Phlorhizin", "Phloridzin", "Phlorizin" ] }, { "compound_id": "C01606", "inchi": "InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)", "name": "Phthalate", "names": [ "1,2-Benzenedicarboxylic acid", "Phthalate", "o-Phthalic acid" ] }, { "compound_id": "C01607", "inchi": "InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)", "name": "Phytanate", "names": [ "3,7,11,15-Tetramethylhexadecanoic acid", "Phytanate", "Phytanic acid" ] }, { "compound_id": "C01608", "inchi": "InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)", "name": "Piroxicam", "names": [ "Piroxicam" ] }, { "compound_id": "C01609", "inchi": null, "name": "Protamine", "names": [ "Protamine" ] }, { "compound_id": "C01610", "inchi": "InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1", "name": "Puromycin", "names": [ "Puromycin" ] }, { "compound_id": "C01612", "inchi": null, "name": "Secondary alcohol", "names": [ "R-CHOH-R'", "Secondary alcohol" ] }, { "compound_id": "C01613", "inchi": "InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1", "name": "Stachyose", "names": [ "Stachyose" ] }, { "compound_id": "C01614", "inchi": null, "name": "Sulfamate", "names": [ "Amidosulfuric acid", "Aminosulfonic acid", "Sulfamate", "Sulfamic acid", "Sulfamidic acid" ] }, { "compound_id": "C01615", "inchi": null, "name": "Sulfinate", "names": [ "Sulfinate", "Sulfinic acid" ] }, { "compound_id": "C01616", "inchi": "InChI=1S/C5H11NO5S/c1-4(5(7)8)6-2-3-12(9,10)11/h4,6H,2-3H2,1H3,(H,7,8)(H,9,10,11)/t4-/m1/s1", "name": "Tauropine", "names": [ "N2-(D-1-Carboxyethyl)taurine", "Tauropine" ] }, { "compound_id": "C01617", "inchi": "InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1", "name": "Taxifolin", "names": [ "(+)-Dihydroquercetin", "(+)-Taxifolin", "Dihydroquercetin", "Taxifolin", "trans-Dihydroquercetin" ] }, { "compound_id": "C01618", "inchi": "InChI=1S/C19H28O4/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2,23)16(14)5-6-17(21)22/h11,14-16,23H,3-10H2,1-2H3,(H,21,22)/t14-,15+,16+,18+,19+/m1/s1", "name": "Testolate", "names": [ "Testolate" ] }, { "compound_id": "C01619", "inchi": "InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)", "name": "Thiorphan", "names": [ "Thiorphan" ] }, { "compound_id": "C01620", "inchi": "InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1", "name": "Threonate", "names": [ "(2R,3S)-2,3,4-trihydroxy-Butanoic acid", "L-Threonate", "Threonate" ] }, { "compound_id": "C01621", "inchi": "InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)", "name": "Tolrestat", "names": [ "Tolrestat" ] }, { "compound_id": "C01623", "inchi": "InChI=1S/C14H22N2O16P2/c17-4-14(23)5-28-12(10(14)21)31-34(26,27)32-33(24,25)29-3-6-8(19)9(20)11(30-6)16-2-1-7(18)15-13(16)22/h1-2,6,8-12,17,19-21,23H,3-5H2,(H,24,25)(H,26,27)(H,15,18,22)/t6-,8-,9-,10+,11-,12-,14-/m1/s1", "name": "UDP-apiose", "names": [ "UDP-D-apiose", "UDP-apiose" ] }, { "compound_id": "C01624", "inchi": "InChI=1S/C10H10O3/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-3,7,11-12H,4-5H2", "name": "Vermelone", "names": [ "3,4-Dihydro-3,8-dihydroxy-1(2H)-naphthalenone", "Vermelone" ] }, { "compound_id": "C01625", "inchi": "InChI=1S/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2/t3-,4+,5-,6+,7-,8+,9+,10?,11-/m0/s1", "name": "Vicianose", "names": [ "O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose", "Vicianose" ] }, { "compound_id": "C01626", "inchi": "InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1", "name": "Vindoline", "names": [ "Vindoline" ] }, { "compound_id": "C01628", "inchi": null, "name": "Vitamin K", "names": [ "Vitamin K" ] }, { "compound_id": "C01629", "inchi": null, "name": "Wax ester", "names": [ "Wax ester" ] }, { "compound_id": "C01630", "inchi": "InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4?,5+,6+,7-,8-,9?,10?/m1/s1", "name": "Xylobiose", "names": [ "Xylobiose" ] }, { "compound_id": "C01632", "inchi": "InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1", "name": "N-Carbobenzoxyglycylproline", "names": [ "N-Carbobenzoxyglycylproline", "Z-Gly-Pro", "Z-Gly-Pro-OH" ] }, { "compound_id": "C01633", "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3", "name": "1-Decanol", "names": [ "1-Decanol", "Decyl alcohol", "n-Decanol" ] }, { "compound_id": "C01635", "inchi": null, "name": "tRNA(Ala)", "names": [ "tRNA(Ala)" ] }, { "compound_id": "C01636", "inchi": null, "name": "tRNA(Arg)", "names": [ "tRNA(Arg)", "tRNA-arg", "trna-arg" ] }, { "compound_id": "C01637", "inchi": null, "name": "tRNA(Asn)", "names": [ "tRNA(Asn)" ] }, { "compound_id": "C01638", "inchi": null, "name": "tRNA(Asp)", "names": [ "tRNA(Asp)" ] }, { "compound_id": "C01639", "inchi": null, "name": "tRNA(Cys)", "names": [ "tRNA(Cys)" ] }, { "compound_id": "C01640", "inchi": null, "name": "tRNA(Gln)", "names": [ "tRNA(Gln)" ] }, { "compound_id": "C01641", "inchi": null, "name": "tRNA(Glu)", "names": [ "tRNA(Glu)" ] }, { "compound_id": "C01642", "inchi": null, "name": "tRNA(Gly)", "names": [ "tRNA(Gly)" ] }, { "compound_id": "C01643", "inchi": null, "name": "tRNA(His)", "names": [ "tRNA(His)", "tRNA-his", "trna-his" ] }, { "compound_id": "C01644", "inchi": null, "name": "tRNA(Ile)", "names": [ "tRNA(Ile)", "tRNA-ile", "trna-ile" ] }, { "compound_id": "C01645", "inchi": null, "name": "tRNA(Leu)", "names": [ "tRNA(Leu)" ] }, { "compound_id": "C01646", "inchi": null, "name": "tRNA(Lys)", "names": [ "tRNA(Lys)", "tRNA-lys", "trna-lys" ] }, { "compound_id": "C01647", "inchi": null, "name": "tRNA(Met)", "names": [ "tRNA(Met)" ] }, { "compound_id": "C01648", "inchi": null, "name": "tRNA(Phe)", "names": [ "tRNA(Phe)", "tRNA-phe", "trna-phe" ] }, { "compound_id": "C01649", "inchi": null, "name": "tRNA(Pro)", "names": [ "tRNA(Pro)" ] }, { "compound_id": "C01650", "inchi": null, "name": "tRNA(Ser)", "names": [ "tRNA(Ser)", "tRNA-ser", "trna-ser" ] }, { "compound_id": "C01651", "inchi": null, "name": "tRNA(Thr)", "names": [ "tRNA(Thr)", "tRNA-thr", "trna-thr" ] }, { "compound_id": "C01652", "inchi": null, "name": "tRNA(Trp)", "names": [ "tRNA(Trp)" ] }, { "compound_id": "C01653", "inchi": null, "name": "tRNA(Val)", "names": [ "tRNA(Val)", "tRNA-val", "trna-val" ] }, { "compound_id": "C01654", "inchi": null, "name": "1,6-Mannan", "names": [ "1,6-Mannan" ] }, { "compound_id": "C01655", "inchi": "InChI=1S/C10H15N6O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1", "name": "2-AminoAMP", "names": [ "2-AminoAMP" ] }, { "compound_id": "C01656", "inchi": null, "name": "3-Oxo acid", "names": [ "3-Keto acid", "3-Oxo acid" ] }, { "compound_id": "C01657", "inchi": "InChI=1S/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1", "name": "Ac-Tyr-OEt", "names": [ "Ac-Tyr-OEt", "Ethyl N-alpha-acetyl-tyrosinate", "N-Acetyl-L-tyrosine ethyl ester" ] }, { "compound_id": "C01658", "inchi": null, "name": "Acid amide", "names": [ "Acid amide" ] }, { "compound_id": "C01659", "inchi": "InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)", "name": "Acrylamide", "names": [ "2-Propenamide", "Acrylamide" ] }, { "compound_id": "C01661", "inchi": "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1", "name": "Doxorubicin", "names": [ "Adriamycin", "Doxorubicin" ] }, { "compound_id": "C01663", "inchi": null, "name": "Alkylamide", "names": [ "Alkylamide" ] }, { "compound_id": "C01664", "inchi": null, "name": "Alkylamine", "names": [ "Alkylamine" ] }, { "compound_id": "C01667", "inchi": null, "name": "Bacitracin", "names": [ "Bacitracin" ] }, { "compound_id": "C01670", "inchi": "InChI=1S/C15H22N4O3/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18)/t12-/m1/s1", "name": "Bz-Arg-OEt", "names": [ "Bz-Arg-OEt" ] }, { "compound_id": "C01672", "inchi": "InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2", "name": "Cadaverine", "names": [ "1,5-Diaminopentane", "1,5-Pentanediamine", "Cadaverine", "Pentamethylenediamine" ] }, { "compound_id": "C01673", "inchi": "InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1", "name": "Calcitriol", "names": [ "1-alpha-25-Dihydroxyvitamin D3", "Calcitriol" ] }, { "compound_id": "C01674", "inchi": "InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14?,15?,16?/m1/s1", "name": "Chitobiose", "names": [ "Chitobiose", "Diacetylchitobiose", "N,N'-Diacetylchitobiose" ] }, { "compound_id": "C01675", "inchi": "InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1", "name": "Cilastatin", "names": [ "Cilastatin" ] }, { "compound_id": "C01677", "inchi": "InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1", "name": "Coformycin", "names": [ "Coformycin" ] }, { "compound_id": "C01678", "inchi": "InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2", "name": "Cysteamine", "names": [ "2-Aminoethanethiol", "Cysteamine", "Mercaptamine", "Thioethanolamine", "beta-Aminoethanethiol", "beta-Mercaptoethylamine" ] }, { "compound_id": "C01680", "inchi": "InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m1/s1", "name": "D-Fuconate", "names": [ "D-Fuconate" ] }, { "compound_id": "C01682", "inchi": "InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1", "name": "Nopaline", "names": [ "D-Nopaline", "N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid", "N2-(D-1,3-Dicarboxypropyl)-L-arginine", "Nopaline" ] }, { "compound_id": "C01683", "inchi": "InChI=1S/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18)", "name": "Ornaline", "names": [ "Nopalinic acid", "Ornaline" ] }, { "compound_id": "C01684", "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m1/s1", "name": "D-Rhamnose", "names": [ "6-Deoxy-D-mannose", "D-Mannomethylose", "D-Rhamnose" ] }, { "compound_id": "C01685", "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4-/m1/s1", "name": "D-Ribonate", "names": [ "D-Ribonate", "D-Ribonic acid" ] }, { "compound_id": "C01687", "inchi": "InChI=1S/C39H65NO14/c1-11-29-26(19-50-39-37(49-10)36(48-9)33(46)24(6)52-39)16-20(2)12-13-27(42)21(3)17-25(14-15-41)35(22(4)28(43)18-30(44)53-29)54-38-34(47)31(40(7)8)32(45)23(5)51-38/h12-13,15-16,21-26,28-29,31-39,43,45-47H,11,14,17-19H2,1-10H3/b13-12+,20-16+/t21-,22+,23-,24-,25+,26-,28-,29-,31+,32-,33-,34-,35?,36-,37-,38?,39-/m1/s1", "name": "Tylosin B", "names": [ "Desmycosin", "Tylosin B" ] }, { "compound_id": "C01688", "inchi": "InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6-,7+,8+,9+,10-,11-,12+,13-,14+,15-,16-,17-,18+,19-,20?/m0/s1", "name": "Destomysin", "names": [ "Destomycin A", "Destomysin" ] }, { "compound_id": "C01690", "inchi": "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)", "name": "Diclofenac", "names": [ "Diclofenac" ] }, { "compound_id": "C01691", "inchi": "InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)", "name": "Diflunisal", "names": [ "Diflunisal" ] }, { "compound_id": "C01692", "inchi": "InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3", "name": "Disulfiram", "names": [ "Disulfiram", "Tetraethylthiuram disulfide" ] }, { "compound_id": "C01693", "inchi": "InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)/t6-/m0/s1", "name": "L-Dopachrome", "names": [ "2-L-Carboxy-2,3-dihydroindole-5,6-quinone", "L-Dopachrome" ] }, { "compound_id": "C01694", "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1", "name": "Ergosterol", "names": [ "Ergosterol", "Provitamin D2" ] }, { "compound_id": "C01695", "inchi": null, "name": "Ferredoxin", "names": [ "Ferredoxin" ] }, { "compound_id": "C01697", "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-", "name": "Galactitol", "names": [ "Dulcitol", "Dulcose", "Galactitol" ] }, { "compound_id": "C01698", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(21)10(24)12(26)17(32-4)30-3-6-9(23)15(14(28)16(29)31-6)34-18-13(27)11(25)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12-,13-,14-,15+,16-,17-,18+/m1/s1", "name": "Galactogen", "names": [ "Galactogen" ] }, { "compound_id": "C01699", "inchi": "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1", "name": "Gibberellin A3", "names": [ "Gibberellic acid", "Gibberellin", "Gibberellin A3" ] }, { "compound_id": "C01700", "inchi": "InChI=1S/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)", "name": "Globomycin", "names": [ "Globomycin" ] }, { "compound_id": "C01701", "inchi": "InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1", "name": "(-)-Glyceollin I", "names": [ "(-)-Glyceollin I", "Glyceollin" ] }, { "compound_id": "C01702", "inchi": null, "name": "Glycogenin", "names": [ "Glycogenin" ] }, { "compound_id": "C01705", "inchi": "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)", "name": "Glyphosate", "names": [ "Glyphosate" ] }, { "compound_id": "C01706", "inchi": null, "name": "Haloalkene", "names": [ "Haloalkene" ] }, { "compound_id": "C01707", "inchi": null, "name": "Hemiacetal", "names": [ "Hemiacetal" ] }, { "compound_id": "C01708", "inchi": null, "name": "Hemoglobin", "names": [ "Hemoglobin" ] }, { "compound_id": "C01709", "inchi": "InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1", "name": "Hesperetin", "names": [ "3',5,7-Trihydroxy-4'-methoxyflavanone", "Hesperetin" ] }, { "compound_id": "C01710", "inchi": "InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2", "name": "Indan-1-ol", "names": [ "Indan-1-ol" ] }, { "compound_id": "C01711", "inchi": "InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11?,12-/m1/s1", "name": "Inulobiose", "names": [ "1-O-beta-D-Fructo-furanosyl-D-fructose", "Inulobiose" ] }, { "compound_id": "C01712", "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+", "name": "(9E)-Octadecenoic acid", "names": [ "(9E)-Octadecenoic acid", "(E)-Oleic acid", "9-Octadecenoic acid, (E)-", "9-trans-Octadecenoic acid", "Acide elaidique", "D9-trans-Octadecenoic acid", "Elaidic acid", "Elaidinsaure", "trans-9-Octadecenoic acid", "trans-D9-Octadecenoic acid", "trans-Elaidic acid", "trans-Oleic acid" ] }, { "compound_id": "C01714", "inchi": "InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1", "name": "Isovitexin", "names": [ "6-C-Glucosylapigenin", "Apigenin 6-C-glucoside", "Apigenin-6-C-glucoside", "Isovitexin", "Saponaretin" ] }, { "compound_id": "C01715", "inchi": null, "name": "Kallikrein", "names": [ "Kallikrein", "Kininogenase", "Kininogenin" ] }, { "compound_id": "C01716", "inchi": "InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)", "name": "Ketoprofen", "names": [ "Ketoprofen" ] }, { "compound_id": "C01717", "inchi": "InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)", "name": "4-Hydroxy-2-quinolinecarboxylic acid", "names": [ "4-Hydroxy-2-quinolinecarboxylic acid", "Kynurenate", "Kynurenic acid" ] }, { "compound_id": "C01718", "inchi": "InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)", "name": "Kynurenine", "names": [ "3-Anthraniloylalanine", "Kynurenine" ] }, { "compound_id": "C01719", "inchi": "InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m0/s1", "name": "L-Fructose", "names": [ "L-Fructose", "L-arabino-Hexulose" ] }, { "compound_id": "C01720", "inchi": "InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m0/s1", "name": "L-Fuconate", "names": [ "L-Fuconate" ] }, { "compound_id": "C01721", "inchi": "InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1", "name": "L-Fuculose", "names": [ "6-Deoxy-L-tagatose", "L-Fuculose" ] }, { "compound_id": "C01722", "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m0/s1", "name": "L-Glucitol", "names": [ "D-Gulitol", "L-Glucitol", "L-Sorbitol" ] }, { "compound_id": "C01723", "inchi": null, "name": "Lactenocin", "names": [ "Demycarosylmacrocin", "Lactenocin" ] }, { "compound_id": "C01724", "inchi": "InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1", "name": "Lanosterol", "names": [ "4,4',14alpha-Trimethyl-5alpha-cholesta-8,24-dien-3beta-ol", "Lanosterol" ] }, { "compound_id": "C01725", "inchi": "InChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,23-5)21-2-6-8(17)9(18)11(20,3-14)22-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1", "name": "Levanbiose", "names": [ "Levanbiose" ] }, { "compound_id": "C01726", "inchi": "InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m1/s1", "name": "D-Lombricine", "names": [ "D-Lombricine" ] }, { "compound_id": "C01727", "inchi": "InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)", "name": "Lumichrome", "names": [ "7,8-Dimethylalloxazine", "Lumichrome" ] }, { "compound_id": "C01728", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12+/m1/s1", "name": "Mannobiose", "names": [ "Mannobiose" ] }, { "compound_id": "C01729", "inchi": "InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m1/s1", "name": "(+)-Medicarpin", "names": [ "(+)-Medicarpin", "3-Hydroxy-9-methoxypterocarpan" ] }, { "compound_id": "C01731", "inchi": null, "name": "Mercury mercaptide", "names": [ "Mercury mercaptide" ] }, { "compound_id": "C01732", "inchi": "InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+", "name": "Mesaconate", "names": [ "(E)-2-Methyl-2-butenedioic acid", "2-Methylfumarate", "Mesaconate", "Mesaconic acid", "Methylfumaric acid" ] }, { "compound_id": "C01733", "inchi": "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)", "name": "Methionine", "names": [ "2-Amino-4-(methylthio)butyric acid", "Methionine" ] }, { "compound_id": "C01735", "inchi": "InChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/t10-,11+,16-,17-/m0/s1", "name": "Morphinone", "names": [ "Morphinone" ] }, { "compound_id": "C01736", "inchi": "InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1", "name": "Nebularine", "names": [ "N-D-Ribosylpurine", "Nebularine", "Purine riboside" ] }, { "compound_id": "C01737", "inchi": "InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", "name": "Neomycin B", "names": [ "Fradiomycin B", "Framycetin", "Neomycin B" ] }, { "compound_id": "C01739", "inchi": "InChI=1S/C19H17N3O7/c23-12-5-1-10(2-6-12)15(21-29)17(25)20-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14,16,23-24,29H,9H2,(H,20,25)(H,27,28)/b21-15-/t14-,16+/m0/s1", "name": "Nocardicin E", "names": [ "Nocardicin E" ] }, { "compound_id": "C01740", "inchi": "InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3", "name": "Octylamine", "names": [ "Monoctylamine", "N-Octylamine", "Octylamine" ] }, { "compound_id": "C01742", "inchi": "InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1", "name": "Palatinose", "names": [ "6-O-alpha-D-Glucopyranosyl-D-fructofuranose", "Isomaltulose", "Palatinose" ] }, { "compound_id": "C01743", "inchi": "InChI=1S/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1", "name": "Paromamine", "names": [ "Neomycin D", "Paromamine" ] }, { "compound_id": "C01744", "inchi": "InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)", "name": "Phloretate", "names": [ "3-(4-Hydroxyphenyl)propionic acid", "Phloretate", "Phloretic acid" ] }, { "compound_id": "C01745", "inchi": "InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+", "name": "Pinosylvin", "names": [ "3,5-Stilbenediol", "Pinosylvin" ] }, { "compound_id": "C01746", "inchi": "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2", "name": "Piperidine", "names": [ "Azacyclohexane", "Hexahydropyridine", "Piperidine" ] }, { "compound_id": "C01747", "inchi": "InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1", "name": "Psychosine", "names": [ "Galactosylsphingosine", "O-Galactosylsphingosine", "Psychosine" ] }, { "compound_id": "C01748", "inchi": "InChI=1S/C13H12N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8,14,16H,1H3", "name": "Pyocyanine", "names": [ "Pyocyanine", "Reduced pyocyanine" ] }, { "compound_id": "C01750", "inchi": "InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1", "name": "Quercitrin", "names": [ "Quercetin 3-L-rhamnoside", "Quercetin 3-O-alpha-L-rhamnopyranoside", "Quercitrin" ] }, { "compound_id": "C01751", "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H", "name": "Resorcinol", "names": [ "1,3-Benzenediol", "1,3-Dihydroxybenzene", "Resorcin", "Resorcinol", "m-Hydroquinone" ] }, { "compound_id": "C01752", "inchi": "InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3", "name": "Scopoletin", "names": [ "Scopoletin" ] }, { "compound_id": "C01753", "inchi": "InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1", "name": "beta-Sitosterol", "names": [ "Sitosterol", "beta-Sitosterol" ] }, { "compound_id": "C01754", "inchi": null, "name": "Spiramycin", "names": [ "Spiramycin" ] }, { "compound_id": "C01755", "inchi": "InChI=1S/CHNS/c2-1-3/h3H", "name": "Thiocyanate", "names": [ "Thiocyanate", "Thiocyanic acid" ] }, { "compound_id": "C01756", "inchi": "InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)", "name": "Thiopurine", "names": [ "Thiopurine" ] }, { "compound_id": "C01757", "inchi": "InChI=1S/C6H8O4/c1-4(7)2-5(8)3-6(9)10/h2-3H2,1H3,(H,9,10)", "name": "Triacetate", "names": [ "3,5-Dioxo-hexanoic acid", "Triacetate" ] }, { "compound_id": "C01759", "inchi": "InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1", "name": "Ribostamycin", "names": [ "Ribostamycin", "Vistamycin" ] }, { "compound_id": "C01760", "inchi": "InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1", "name": "(6S,9R)-Vomifoliol", "names": [ "(6S,9R)-6-Hydroxy-3-oxo-alpha-ionol", "(6S,9R)-Vomifoliol" ] }, { "compound_id": "C01761", "inchi": "InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12?,15-,16-,17-,19+,20+,21+/m0/s1", "name": "Vomilenine", "names": [ "Vomilenine" ] }, { "compound_id": "C01762", "inchi": "InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1", "name": "Xanthosine", "names": [ "Xanthosine" ] }, { "compound_id": "C01764", "inchi": null, "name": "tRNA containing uridine at position 54", "names": [ "tRNA UpsiC", "tRNA containing uridine at position 54" ] }, { "compound_id": "C01765", "inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m0/s1", "name": "(+)-Borneol", "names": [ "(+)-Borneol", "(1R,2S,4R)-(+)-Borneol", "Borneocamphor", "Sumatra camphor", "d-Borneol", "endo-2-Bornanol" ] }, { "compound_id": "C01766", "inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m1/s1", "name": "(-)-Borneol", "names": [ "(-)-Borneol", "(1S,2R,4S)-(-)-Borneol", "L-Borneol", "Linderol" ] }, { "compound_id": "C01767", "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1", "name": "(-)-Carvone", "names": [ "(-)-Carvone", "(4R)-Carvone" ] }, { "compound_id": "C01768", "inchi": null, "name": "(Alginate)n", "names": [ "(Alginate)n", "(Alginate)n+1", "Alginate", "Alginic acid" ] }, { "compound_id": "C01769", "inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3", "name": "(S)-Acetoin", "names": [ "(S)-2-Acetoin", "(S)-Acetoin" ] }, { "compound_id": "C01770", "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2", "name": "gamma-Butyrolactone", "names": [ "1,4-Lactone", "gamma-Butyrolactone" ] }, { "compound_id": "C01771", "inchi": "InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+", "name": "2-Butenoate", "names": [ "2-Butenoate", "2-Butenoic acid", "Crotonic acid" ] }, { "compound_id": "C01772", "inchi": "InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+", "name": "trans-2-Hydroxycinnamate", "names": [ "2-Coumarate", "2-Coumaric acid", "2-Hydroxycinnamate", "o-Coumaric acid", "trans-2-Hydroxycinnamate", "trans-2-Hydroxycinnamic acid" ] }, { "compound_id": "C01775", "inchi": null, "name": "Actinomycin", "names": [ "Actinomycin" ] }, { "compound_id": "C01776", "inchi": "InChI=1S/C51H82N8O17/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-32-23-35(64)47(72)57-49(74)41-42(67)27(2)25-59(41)51(76)39(34(63)24-36(52)65)55-48(73)40(44(69)43(68)29-18-20-30(61)21-19-29)56-46(71)33-22-31(62)26-58(33)50(75)38(28(3)60)54-45(32)70/h18-21,27-28,31-35,38-44,47,60-64,67-69,72H,4-17,22-26H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t27-,28+,31+,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1", "name": "Aculeacin A", "names": [ "Aculeacin A" ] }, { "compound_id": "C01777", "inchi": null, "name": "Acylcholine", "names": [ "Acylcholine" ] }, { "compound_id": "C01779", "inchi": "InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)", "name": "Albendazole", "names": [ "Albendazole" ] }, { "compound_id": "C01780", "inchi": "InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1", "name": "Aldosterone", "names": [ "11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al", "Aldosterone" ] }, { "compound_id": "C01782", "inchi": "InChI=1S/C6H6O/c1-2-4-6-5(3-1)7-6/h1-6H", "name": "Arene oxide", "names": [ "Arene oxide" ] }, { "compound_id": "C01783", "inchi": "InChI=1S/C6H5.Hg/c1-2-4-6-5-3-1;/h1-5H;/q;+1", "name": "Arylmercury", "names": [ "Arylmercury" ] }, { "compound_id": "C01784", "inchi": "InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)", "name": "Benzamidine", "names": [ "Benzamidine", "Benzenecarboxamidine" ] }, { "compound_id": "C01785", "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H", "name": "Benzenediol", "names": [ "Benzenediol" ] }, { "compound_id": "C01788", "inchi": "InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7-,8-,9-,11-,12-,13-,14-/m1/s1", "name": "CDP-abequose", "names": [ "CDP-abequose" ] }, { "compound_id": "C01789", "inchi": "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1", "name": "Campesterol", "names": [ "Campesterol" ] }, { "compound_id": "C01790", "inchi": null, "name": "Capreomycin", "names": [ "Capreomycin" ] }, { "compound_id": "C01792", "inchi": "InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20", "name": "Chlordecone", "names": [ "Chlordecone", "Kepone" ] }, { "compound_id": "C01793", "inchi": null, "name": "Chlorophyll", "names": [ "Chlorophyll" ] }, { "compound_id": "C01794", "inchi": "InChI=1S/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t23?,24?,25-,26?,27+,28+,29-,30-,31+,34?,36-,37-,38?,42-,44?,45?/m1/s1", "name": "Choloyl-CoA", "names": [ "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-one-CoA", "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl-CoA", "Choloyl-CoA" ] }, { "compound_id": "C01795", "inchi": "InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1", "name": "Columbamine", "names": [ "Columbamine" ] }, { "compound_id": "C01796", "inchi": "InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4?/m1/s1", "name": "D-Erythrose", "names": [ "D-Erythrose" ] }, { "compound_id": "C01798", "inchi": null, "name": "D-Glucoside", "names": [ "D-Glucoside" ] }, { "compound_id": "C01799", "inchi": "InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1", "name": "D-Norvaline", "names": [ "D-2-Aminopentanoic acid", "D-2-Aminovaleric acid", "D-Norvaline" ] }, { "compound_id": "C01800", "inchi": "InChI=1S/C11H7N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)13-11(16)14-10/h1-5H,(H2,12,13,14,15,16)", "name": "Deazaflavin", "names": [ "5-Deazaflavin", "Deazaflavin" ] }, { "compound_id": "C01801", "inchi": "InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1", "name": "Deoxyribose", "names": [ "2-Deoxy-D-erythro-pentose", "2-Deoxy-D-ribose", "Deoxyribose", "Thyminose" ] }, { "compound_id": "C01802", "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "Desmosterol", "names": [ "24-Dehydrocholesterol", "Cholesta-5,24-dien-3beta-ol", "Desmosterol" ] }, { "compound_id": "C01804", "inchi": "InChI=1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10,16H,4-6,15H2,1-2H3,(H,21,22)", "name": "Discadenine", "names": [ "3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine", "Discadenine" ] }, { "compound_id": "C01806", "inchi": "InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1", "name": "GTP-gamma-S", "names": [ "GTP-gamma-S" ] }, { "compound_id": "C01810", "inchi": "InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,19?,20?,21-,22?,23+,24?/m1/s1", "name": "Glucomannan", "names": [ "Glucomannan", "Glucomannoglycan" ] }, { "compound_id": "C01812", "inchi": null, "name": "Haloacetate", "names": [ "Haloacetate" ] }, { "compound_id": "C01813", "inchi": null, "name": "Haloalcohol", "names": [ "Haloalcohol" ] }, { "compound_id": "C01814", "inchi": "InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2", "name": "Haloperidol", "names": [ "Haloperidol" ] }, { "compound_id": "C01816", "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3", "name": "Heptadecane", "names": [ "Heptadecane" ] }, { "compound_id": "C01817", "inchi": "InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)", "name": "Homocystine", "names": [ "4,4'-Dithiobis(2-aminobutyric acid)", "Homocystine" ] }, { "compound_id": "C01818", "inchi": "InChI=1S/H2N2O2/c3-1-2-4/h(H,1,4)(H,2,3)", "name": "Hyponitrite", "names": [ "Hyponitrite", "Hyponitrous acid" ] }, { "compound_id": "C01819", "inchi": "InChI=1S/C8H8N2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,9H2", "name": "Indoleamine", "names": [ "Indolamine", "Indoleamine" ] }, { "compound_id": "C01821", "inchi": "InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1", "name": "Isoorientin", "names": [ "Homoorientin", "Isoorientin" ] }, { "compound_id": "C01822", "inchi": "InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1", "name": "Kanamycin A", "names": [ "Kanamycin A" ] }, { "compound_id": "C01823", "inchi": "InChI=1S/C18H36N4O11/c19-4-1-5(20)16(33-18-13(28)8(21)10(25)6(2-23)31-18)14(29)15(4)32-17-9(22)12(27)11(26)7(3-24)30-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1", "name": "Kanamycin C", "names": [ "Kanamycin C" ] }, { "compound_id": "C01825", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m0/s1", "name": "L-Galactose", "names": [ "L-Galactose" ] }, { "compound_id": "C01826", "inchi": "InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1", "name": "L-Norvaline", "names": [ "(S)-2-Aminopentanoic acid", "L-2-Aminopentanoic acid", "L-2-Aminovaleric acid", "L-Norvaline" ] }, { "compound_id": "C01829", "inchi": "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1", "name": "O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine", "names": [ "3,5,3'5'-Tetraiodo-L-thyronine", "L-Thyroxine", "Levothyroxin", "O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine", "T4" ] }, { "compound_id": "C01832", "inchi": "InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28?,32-/m1/s1", "name": "Lauroyl-CoA", "names": [ "Dodecanoyl-CoA", "Lauroyl coenzyme A", "Lauroyl-CoA" ] }, { "compound_id": "C01833", "inchi": "InChI=1S/C13H23N3O4/c1-8(2)6-9(14)12(18)15-7-11(17)16-5-3-4-10(16)13(19)20/h8-10H,3-7,14H2,1-2H3,(H,15,18)(H,19,20)/t9-,10-/m0/s1", "name": "Leu-Gly-Pro", "names": [ "Leu-Gly-Pro" ] }, { "compound_id": "C01834", "inchi": null, "name": "Lipoprotein", "names": [ "Lipoprotein" ] }, { "compound_id": "C01835", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1", "name": "Maltotriose", "names": [ "Amylotriose", "Maltotriose" ] }, { "compound_id": "C01836", "inchi": null, "name": "Neurotensin", "names": [ "Neurotensin" ] }, { "compound_id": "C01837", "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3", "name": "Nitroethane", "names": [ "Nitroethane" ] }, { "compound_id": "C01838", "inchi": "InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3", "name": "Octadecanal", "names": [ "Octadecanal" ] }, { "compound_id": "C01839", "inchi": "InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)", "name": "Orsellinate", "names": [ "2,4-Dihydroxy-6-methylbenzoate", "2,4-Dihydroxy-6-methylbenzoic acid", "4,6-Dihydroxy-o-toluic acid", "Orsellinate", "o-Orsellinic acid" ] }, { "compound_id": "C01841", "inchi": "InChI=1S/C15H24/c1-10-7-12-8-14(3,4)9-15(12)11(2)5-6-13(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15?/m1/s1", "name": "Pentalenene", "names": [ "Pentalenene" ] }, { "compound_id": "C01842", "inchi": "InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)", "name": "Pentanamide", "names": [ "Pentanamide", "Valeramide" ] }, { "compound_id": "C01843", "inchi": "InChI=1S/C15H23N3O4/c19-13(10-4-1-7-16-10)17-8-2-5-11(17)14(20)18-9-3-6-12(18)15(21)22/h10-12,16H,1-9H2,(H,21,22)/t10-,11-,12-/m0/s1", "name": "Polyproline", "names": [ "Polyproline" ] }, { "compound_id": "C01844", "inchi": "InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1", "name": "Pravastatin", "names": [ "Pravastatin" ] }, { "compound_id": "C01845", "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3", "name": "Propan-2-ol", "names": [ "2-Propanol", "Isopropanol", "Isopropyl alcohol", "Propan-2-ol" ] }, { "compound_id": "C01847", "inchi": "InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)", "name": "Reduced FMN", "names": [ "FMNH2", "Reduced FMN", "fmn(reduced)" ] }, { "compound_id": "C01848", "inchi": "InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1", "name": "Rifamycin B", "names": [ "Rifamycin B" ] }, { "compound_id": "C01849", "inchi": "InChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39?/m0/s1", "name": "Rifamycin O", "names": [ "Rifamycin O" ] }, { "compound_id": "C01850", "inchi": "InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1", "name": "Rosmarinate", "names": [ "Rosmarinate", "Rosmarinic acid" ] }, { "compound_id": "C01851", "inchi": "InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15?,16?/m1/s1", "name": "Scopolamine", "names": [ "(-)-Hyoscine", "Scopolamine" ] }, { "compound_id": "C01852", "inchi": "InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1", "name": "Secologanin", "names": [ "(-)-Secologanin", "Secologanin" ] }, { "compound_id": "C01853", "inchi": "InChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,9H,(H,10,11)(H,12,13)", "name": "Stipitatate", "names": [ "3,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid", "Stipitatate", "Stipitatic acid" ] }, { "compound_id": "C01854", "inchi": "InChI=1S/C6H14N2O4/c7-1-3(9)2(8)5(11)6(12)4(1)10/h1-6,9-12H,7-8H2/t1-,2+,3-,4+,5-,6-", "name": "Streptamine", "names": [ "Streptamine" ] }, { "compound_id": "C01855", "inchi": "InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1", "name": "Taxiphyllin", "names": [ "(R)-4-Hydroxymandelonitrile beta-D-glucoside", "Taxiphyllin" ] }, { "compound_id": "C01857", "inchi": "InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)", "name": "Thioacetate", "names": [ "Thioacetate", "Thioacetic acid" ] }, { "compound_id": "C01860", "inchi": "InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15+/m1/s1", "name": "Trichodiene", "names": [ "Trichodiene" ] }, { "compound_id": "C01861", "inchi": "InChI=1S/H2O6S3/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2", "name": "Trithionate", "names": [ "(O3S.S.SO3)2-", "Trithionate" ] }, { "compound_id": "C01863", "inchi": "InChI=1S/C30H26O10/c1-7-13-21-19-17-15(25(13)33)11(31)5-30(36)24(17)20-18-16(26(34)14-8(2)38-10(4)28(40-30)22(14)20)12(32)6-29(35,23(18)19)39-27(21)9(3)37-7/h7-10,27-28,33-36H,5-6H2,1-4H3/t7-,8-,9-,10-,27-,28-,29+,30+/m1/s1", "name": "Xanthoaphin", "names": [ "Xanthoaphin", "Xanthoaphin fb" ] }, { "compound_id": "C01864", "inchi": "InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3", "name": "Xanthotoxin", "names": [ "8-Methoxyfuranocoumarin", "8-Methoxypsoralen", "Methoxsalen", "O-Methylxanthotoxol", "Xanthotoxin" ] }, { "compound_id": "C01865", "inchi": "InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)", "name": "Zopolrestat", "names": [ "Zopolrestat" ] }, { "compound_id": "C01866", "inchi": null, "name": "beta-Lactam", "names": [ "beta-Lactam" ] }, { "compound_id": "C01867", "inchi": null, "name": "tau-Protein", "names": [ "tau-Protein" ] }, { "compound_id": "C01868", "inchi": "InChI=1S/C10H14O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8H,3-5H2,1-2H3/t8-,10+/m0/s1", "name": "(+)-Sabinone", "names": [ "(+)-Sabinone" ] }, { "compound_id": "C01869", "inchi": "InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1", "name": "(-)-Sympatol", "names": [ "(-)-Sympatol", "(-)-Synephrine" ] }, { "compound_id": "C01870", "inchi": "InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2/t10-,11?,12+,13-,14+,15-,16+,17+,18-,19?/m0/s1", "name": "(R)-Vicianin", "names": [ "(R)-Vicianin" ] }, { "compound_id": "C01871", "inchi": "InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2", "name": "1,4-Dithiane", "names": [ "1,4-Dithiane" ] }, { "compound_id": "C01872", "inchi": null, "name": "1-Haloalkane", "names": [ "1-Haloalkane" ] }, { "compound_id": "C01874", "inchi": "InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H", "name": "2-Iodophenol", "names": [ "2-Iodophenol" ] }, { "compound_id": "C01875", "inchi": "InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3", "name": "2-Undecanone", "names": [ "2-Hendecanone", "2-Undecanone", "Methyl nonyl ketone", "Undecan-2-one" ] }, { "compound_id": "C01876", "inchi": "InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3", "name": "3-Oxosteroid", "names": [ "3-Oxosteroid" ] }, { "compound_id": "C01877", "inchi": "InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/t4-/m0/s1", "name": "4-Oxoproline", "names": [ "4-Oxo-L-proline", "4-Oxoproline" ] }, { "compound_id": "C01879", "inchi": "InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1", "name": "Pidolic acid", "names": [ "5-Oxo-L-proline", "5-Oxoproline", "5-Pyrrolidone-2-carboxylic acid", "L-5-Pyrrolidone-2-carboxylic acid", "L-Pyroglutamic acid", "Pidolic acid", "Pyroglutamate", "Pyroglutamic acid" ] }, { "compound_id": "C01880", "inchi": "InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2", "name": "epsilon-Caprolactone", "names": [ "1-Oxa-2-oxocycloheptane", "2-Oxepanone", "6-Hexanolide", "Hexano-6-lactone", "epsilon-Caprolactone" ] }, { "compound_id": "C01881", "inchi": "InChI=1S/C19H30O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h13-15,17H,3-12H2,1-2H3", "name": "7-Oxosteroid", "names": [ "7-Oxosteroid" ] }, { "compound_id": "C01882", "inchi": "InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(24)9(23)6(31-14)2-30-35(26,27)34-36(28,29)33-15-11(25)8(22)5(1-21)32-15/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", "name": "ADP-D-ribose", "names": [ "ADP-D-ribose", "adpribose" ] }, { "compound_id": "C01883", "inchi": null, "name": "Acetic ester", "names": [ "Acetic ester", "Acetyl ester" ] }, { "compound_id": "C01884", "inchi": null, "name": "Acyldolichol", "names": [ "Acyldolichol" ] }, { "compound_id": "C01885", "inchi": null, "name": "1-Acylglycerol", "names": [ "1-Acylglycerol", "1-Monoacylglycerol", "Glyceride", "Monoacylglycerol", "Monoglyceride" ] }, { "compound_id": "C01887", "inchi": null, "name": "Alkylnitrile", "names": [ "Alkylnitrile" ] }, { "compound_id": "C01888", "inchi": "InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3", "name": "Aminoacetone", "names": [ "1-Amino-2-propanone", "Aminoacetone" ] }, { "compound_id": "C01889", "inchi": null, "name": "Arabinoxylan", "names": [ "Arabinoxylan" ] }, { "compound_id": "C01890", "inchi": null, "name": "Arylalkylamine", "names": [ "Aralkylamine", "Arylalkylamine" ] }, { "compound_id": "C01892", "inchi": "InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)", "name": "Asparagusate", "names": [ "Asparagusate", "Asparagusic acid" ] }, { "compound_id": "C01893", "inchi": "InChI=1S/C10H17N3O2S/c11-8(14)4-2-1-3-7-9-6(5-16-7)12-10(15)13-9/h6-7,9H,1-5H2,(H2,11,14)(H2,12,13,15)/t6-,7-,9-/m0/s1", "name": "Biotin amide", "names": [ "Biotin amide" ] }, { "compound_id": "C01894", "inchi": "InChI=1S/C31H50N9O18P3S2/c1-31(2,25(44)28(45)34-8-7-19(41)33-9-10-62-20(42)6-4-3-5-18-21-16(12-63-18)38-30(46)39-21)13-55-61(52,53)58-60(50,51)54-11-17-24(57-59(47,48)49)23(43)29(56-17)40-15-37-22-26(32)35-14-36-27(22)40/h14-18,21,23-25,29,43-44H,3-13H2,1-2H3,(H,33,41)(H,34,45)(H,50,51)(H,52,53)(H2,32,35,36)(H2,38,39,46)(H2,47,48,49)/t16-,17+,18-,21-,23+,24+,25?,29+/m0/s1", "name": "Biotinyl-CoA", "names": [ "Biotinyl-CoA" ] }, { "compound_id": "C01895", "inchi": "InChI=1S/C55H84N20O21S2/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61/h13,16-18,20-24,28-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66)/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40?,41-,42?,52?,53?/m0/s1", "name": "Bleomycin B2", "names": [ "Bleomycin B2" ] }, { "compound_id": "C01897", "inchi": "InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1", "name": "Camptothecin", "names": [ "Camptothecin" ] }, { "compound_id": "C01898", "inchi": null, "name": "Cellodextrin", "names": [ "Cellodextrin" ] }, { "compound_id": "C01901", "inchi": null, "name": "Cucurbitacin", "names": [ "Cucurbitacin" ] }, { "compound_id": "C01902", "inchi": "InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1", "name": "Cycloartenol", "names": [ "9beta,19-Cyclo-24-lanosten-3beta-ol", "Cycloartenol" ] }, { "compound_id": "C01904", "inchi": "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1", "name": "D-Arabitol", "names": [ "D-Arabinitol", "D-Arabinol", "D-Arabitol", "D-Lyxitol" ] }, { "compound_id": "C01905", "inchi": "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1", "name": "D-Asparagine", "names": [ "D-Asparagine" ] }, { "compound_id": "C01906", "inchi": "InChI=1S/C6H12O6/c7-2-6(11)4(9)3(8)1-12-5(6)10/h3-5,7-11H,1-2H2/t3-,4-,5?,6-/m1/s1", "name": "D-Hamamelose", "names": [ "D-Hamamelose" ] }, { "compound_id": "C01907", "inchi": "InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1", "name": "Daunorubicin", "names": [ "Daunomycin", "Daunorubicin" ] }, { "compound_id": "C01909", "inchi": "InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)", "name": "Dethiobiotin", "names": [ "Desthiobiotin", "Dethiobiotin" ] }, { "compound_id": "C01910", "inchi": null, "name": "Dinucleotide", "names": [ "Dinucleotide" ] }, { "compound_id": "C01912", "inchi": "InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1", "name": "Erythromycin", "names": [ "Abomacetin", "Erythromycin", "Erythromycin A" ] }, { "compound_id": "C01913", "inchi": "InChI=1S/6CN.Fe/c6*1-2;/q;;;;;;-4", "name": "Ferrocyanide", "names": [ "Ferrocyanide", "Hexacyanoferrate(II)" ] }, { "compound_id": "C01915", "inchi": null, "name": "Galactolipid", "names": [ "Galactolipid" ] }, { "compound_id": "C01917", "inchi": "InChI=1S/C18H36N4O10/c1-22-10-7(24)4-29-18(13(10)27)32-16-6(20)2-5(19)15(14(16)28)31-17-9(21)12(26)11(25)8(3-23)30-17/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1", "name": "Gentamicin A", "names": [ "Gentamicin A" ] }, { "compound_id": "C01918", "inchi": null, "name": "Gentamicin C", "names": [ "Gentamicin C" ] }, { "compound_id": "C01920", "inchi": "InChI=1S/C31H50N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,13,16-17,20,24-26,30,41-42H,6,8-12,14-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-13-/t20-,24-,25-,26?,30-/m1/s1", "name": "Geranoyl-CoA", "names": [ "Geranoyl-CoA", "cis-Geranyl-CoA" ] }, { "compound_id": "C01921", "inchi": "InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1", "name": "Glycocholate", "names": [ "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine", "Glycocholate", "Glycocholic acid" ] }, { "compound_id": "C01923", "inchi": null, "name": "Heteroglycan", "names": [ "Heteroglycan", "Heteropolysaccharide" ] }, { "compound_id": "C01924", "inchi": "InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1", "name": "Homoarginine", "names": [ "Homoarginine", "L-Homoarginine" ] }, { "compound_id": "C01925", "inchi": "InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14-,15-,16+,17+,18-,19?,20?/m1/s1", "name": "Hygromycin B", "names": [ "Antibiotic A-396-II", "Hygromycin B" ] }, { "compound_id": "C01926", "inchi": "InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)", "name": "Indomethacin", "names": [ "Indometacin", "Indomethacin" ] }, { "compound_id": "C01927", "inchi": "InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2", "name": "Isoflavanone", "names": [ "Isoflavanone" ] }, { "compound_id": "C01928", "inchi": null, "name": "Ketoaldehyde", "names": [ "Ketoaldehyde" ] }, { "compound_id": "C01929", "inchi": "InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/t5-/m0/s1", "name": "L-Histidinal", "names": [ "L-Histidinal" ] }, { "compound_id": "C01930", "inchi": "InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1", "name": "L-Lysinamide", "names": [ "L-Lysinamide" ] }, { "compound_id": "C01931", "inchi": null, "name": "L-Lysyl-tRNA", "names": [ "L-Lysyl-tRNA", "L-Lysyl-tRNA(Lys)", "L-lysyl-tRNA-lys", "l-lysyl-trna-lys" ] }, { "compound_id": "C01933", "inchi": "InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1", "name": "L-Norleucine", "names": [ "(S)-2-Aminohexanoic acid", "L-2-Aminohexanoate", "L-2-Aminohexanoic acid", "L-Aminohexanoate", "L-Aminohexanoic acid", "L-Norleucine" ] }, { "compound_id": "C01934", "inchi": "InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5+/m0/s1", "name": "L-Rhamnonate", "names": [ "6-Deoxy-L-mannonic acid", "L-Rhamnonate" ] }, { "compound_id": "C01935", "inchi": null, "name": "Maltodextrin", "names": [ "Linear maltodextrin", "Maltodextrin", "Maltodextrin(n)", "Maltodextrin(n-2)", "n+2 Maltodextrin" ] }, { "compound_id": "C01936", "inchi": "InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32-,33-,34-,35-,36-/m1/s1", "name": "Maltohexaose", "names": [ "Maltohexaose" ] }, { "compound_id": "C01937", "inchi": "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1", "name": "Methotrexate", "names": [ "Methotrexate" ] }, { "compound_id": "C01938", "inchi": "InChI=1S/C10H8O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-2,11-12H,3-4H2", "name": "Naphthazarin", "names": [ "5,8-Dihydroxy-1,4-naphthoquinone", "Naphthazarin" ] }, { "compound_id": "C01941", "inchi": "InChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/b26-18-/t16-,17+,19-/m1/s1", "name": "Nocardicin A", "names": [ "Nocardicin A" ] }, { "compound_id": "C01942", "inchi": "InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25?,29-/m1/s1", "name": "Nonanoyl-CoA", "names": [ "Nonanoyl-CoA" ] }, { "compound_id": "C01943", "inchi": "InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1", "name": "Obtusifoliol", "names": [ "4alpha,14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol", "4alpha,14alpha-Dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol", "Obtusifoliol" ] }, { "compound_id": "C01944", "inchi": "InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24?,28-/m1/s1", "name": "Octanoyl-CoA", "names": [ "Octanoyl-CoA" ] }, { "compound_id": "C01945", "inchi": "InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31?,32+,33-,34+,35-,36-,37?,38+,39?,41-,42+,43-,44?/m1/s1", "name": "Okadaic acid", "names": [ "Okadaic acid" ] }, { "compound_id": "C01946", "inchi": "InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30?,31-,34?,35+/m0/s1", "name": "Oleandomycin", "names": [ "Amimycin", "Landomycin", "Matromycin", "Oleandomycin", "Romicil" ] }, { "compound_id": "C01948", "inchi": "InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3", "name": "Pentadecanal", "names": [ "Pentadecanal" ] }, { "compound_id": "C01949", "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3", "name": "Pentan-2-one", "names": [ "2-Pentanone", "Methyl propyl ketone", "Pentan-2-one" ] }, { "compound_id": "C01950", "inchi": "InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)", "name": "Picolinamide", "names": [ "Picolinamide" ] }, { "compound_id": "C01951", "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3", "name": "Piperitenone", "names": [ "Piperitenone" ] }, { "compound_id": "C01952", "inchi": "InChI=1S/C18H38N12O4/c19-10(4-1-7-26-16(20)21)13(31)29-11(5-2-8-27-17(22)23)14(32)30-12(15(33)34)6-3-9-28-18(24)25/h10-12H,1-9,19H2,(H,29,31)(H,30,32)(H,33,34)(H4,20,21,26)(H4,22,23,27)(H4,24,25,28)/t10-,11-,12-/m0/s1", "name": "Polyarginine", "names": [ "Polyarginine" ] }, { "compound_id": "C01953", "inchi": "InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1", "name": "Pregnenolone", "names": [ "3beta-Hydroxypregn-5-en-20-one", "5-Pregnen-3beta-ol-20-one", "Pregnenolone" ] }, { "compound_id": "C01956", "inchi": "InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)", "name": "Pyrazinamide", "names": [ "Pyrazinamide", "Pyrazinoic acid amide" ] }, { "compound_id": "C01957", "inchi": "InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1", "name": "Secologanate", "names": [ "Secologanate" ] }, { "compound_id": "C01958", "inchi": null, "name": "Steryl ester", "names": [ "Sterol ester", "Steryl ester" ] }, { "compound_id": "C01959", "inchi": "InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)", "name": "Taurocyamine", "names": [ "Taurocyamine" ] }, { "compound_id": "C01960", "inchi": null, "name": "Tetrapeptide", "names": [ "Tetrapeptide" ] }, { "compound_id": "C01961", "inchi": "InChI=1S/C8H19N4O6P/c1-12(2)6(7(13)14)5-18-19(15,16)17-4-3-11-8(9)10/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H4,9,10,11)/t6-/m0/s1", "name": "Thalassemine", "names": [ "L-Thalassemine", "Thalassemine" ] }, { "compound_id": "C01962", "inchi": "InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1", "name": "Thiocysteine", "names": [ "S-Mercapto-L-cysteine", "Thiocysteine" ] }, { "compound_id": "C01963", "inchi": "InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3", "name": "Tolylacetate", "names": [ "Tolylacetate", "p-Cresyl acetate", "p-Tolyacetate" ] }, { "compound_id": "C01964", "inchi": "InChI=1S/C14H13ClO2S/c1-11-2-6-13(7-3-11)18(16,17)14-8-4-12(10-15)5-9-14/h2-9H,10H2,1H3", "name": "Tos-Ph-CH2Cl", "names": [ "Tos-Ph-CH2Cl" ] }, { "compound_id": "C01965", "inchi": "InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)", "name": "Trimethoprim", "names": [ "Trimethoprim" ] }, { "compound_id": "C01967", "inchi": "InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+", "name": "Ubiquinone-9", "names": [ "Coenzyme Q(9)", "Ubiquinone-45", "Ubiquinone-9" ] }, { "compound_id": "C01968", "inchi": "InChI=1S/C56H92/c1-14-25-47(4)28-16-29-49(6)32-18-33-51(8)36-20-37-53(10)40-22-41-55(12)44-24-45-56(13)43-23-42-54(11)39-21-38-52(9)35-19-34-50(7)31-17-30-48(5)27-15-26-46(2)3/h25-26,29-30,33-34,37-38,41-42,45H,14-24,27-28,31-32,35-36,39-40,43-44H2,1-13H3/b47-25+,48-30+,49-29+,50-34+,51-33+,52-38+,53-37+,54-42+,55-41+,56-45+", "name": "Undecaprenol", "names": [ "Undecaprenol" ] }, { "compound_id": "C01969", "inchi": "InChI=1S/C20H13N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8H,4,21H2,(H,22,25)(H,27,28)(H,29,30)", "name": "Xanthommatin", "names": [ "Xanthommatin" ] }, { "compound_id": "C01970", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10?,11-,12?/m1/s1", "name": "beta-Lactose", "names": [ "beta-D-Lactose", "beta-Lactose" ] }, { "compound_id": "C01971", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1", "name": "beta-Maltose", "names": [ "beta-Maltose" ] }, { "compound_id": "C01972", "inchi": null, "name": "m7G(5')pppAm", "names": [ "m7G(5')pppAm" ] }, { "compound_id": "C01977", "inchi": null, "name": "tRNA guanine", "names": [ "tRNA guanine" ] }, { "compound_id": "C01978", "inchi": null, "name": "tRNA queuine", "names": [ "tRNA queuine" ] }, { "compound_id": "C01983", "inchi": "InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1", "name": "(R)-Mandelate", "names": [ "(R)-2-Hydroxy-2-phenylacetate", "(R)-2-Hydroxy-2-phenylacetic acid", "(R)-Mandelate", "(R)-Mandelic acid", "d-mandelic acid" ] }, { "compound_id": "C01984", "inchi": "InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1", "name": "(S)-Mandelate", "names": [ "(S)-2-Hydroxy-2-phenylacetate", "(S)-2-Hydroxy-2-phenylacetic acid", "(S)-Mandelate", "(S)-Mandelic acid" ] }, { "compound_id": "C01985", "inchi": null, "name": "11-Oxosteroid", "names": [ "11-Oxosteroid" ] }, { "compound_id": "C01986", "inchi": "InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-13,15-17,20H,3-11H2,1-2H3", "name": "16-Oxosteroid", "names": [ "16-Oxosteroid" ] }, { "compound_id": "C01987", "inchi": "InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2", "name": "2-Aminophenol", "names": [ "2-Aminobenzenol", "2-Aminophenol", "2-Hydroxyaniline", "o-Aminophenol" ] }, { "compound_id": "C01988", "inchi": "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H", "name": "2-Nitrophenol", "names": [ "2-Nitrophenol" ] }, { "compound_id": "C01989", "inchi": "InChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)", "name": "3-Ethylmalate", "names": [ "3-Ethylmalate" ] }, { "compound_id": "C01990", "inchi": "InChI=1S/C6H6O8/c7-2(5(11)12)1(4(9)10)3(8)6(13)14/h1-2,7H,(H,9,10)(H,11,12)(H,13,14)", "name": "3-Oxalomalate", "names": [ "3-Oxalomalate", "3-Oxalomalic acid" ] }, { "compound_id": "C01991", "inchi": "InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)", "name": "4-Hydroxyacid", "names": [ "4-Hydroxyacid", "4-Hydroxyalkanoic acid", "4-Hydroxycarboxylic acid" ] }, { "compound_id": "C01992", "inchi": null, "name": "5'-Nucleotide", "names": [ "5'-Nucleotide" ] }, { "compound_id": "C01993", "inchi": "InChI=1S/C10H10N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h1-4,6-7,10,16-17H,(H,11,12,18)/t4-,6-,7-,10-/m1/s1", "name": "5'-Oxoinosine", "names": [ "5'-Dehydroinosine", "5'-Oxoinosine" ] }, { "compound_id": "C01995", "inchi": "InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3", "name": "Acetone oxime", "names": [ "Acetone oxime", "Acetoxime" ] }, { "compound_id": "C01996", "inchi": "InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1", "name": "Acetylcholine", "names": [ "Acetylcholine", "O-Acetylcholine" ] }, { "compound_id": "C01997", "inchi": null, "name": "Histone N6-acetyl-L-lysine", "names": [ "Acetylhistone", "Histone N6-acetyl-L-lysine" ] }, { "compound_id": "C01998", "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2", "name": "Acrylonitrile", "names": [ "Acrylonitrile", "Propenenitrile", "Vinyl cyanide" ] }, { "compound_id": "C02000", "inchi": null, "name": "Alkyl sulfate", "names": [ "Alkyl sulfate" ] }, { "compound_id": "C02001", "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2", "name": "Allyl alcohol", "names": [ "2-Propen-1-ol", "Allyl alcohol" ] }, { "compound_id": "C02002", "inchi": null, "name": "C3a anaphylatoxin", "names": [ "C3a anaphylatoxin" ] }, { "compound_id": "C02003", "inchi": null, "name": "Anthocyanidin", "names": [ "Anthocyanidin" ] }, { "compound_id": "C02004", "inchi": "InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1", "name": "Aristolochene", "names": [ "(+)-Aristolochene", "Aristolochene" ] }, { "compound_id": "C02006", "inchi": "InChI=1S/C17H12O5/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,18-20H/b14-9-", "name": "Aspulvinone E", "names": [ "(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylene]-2(5H)-furanone", "Aspulvinone E" ] }, { "compound_id": "C02007", "inchi": "InChI=1S/C17H12O6/c18-10-3-1-9(2-4-10)7-14-16(21)15(17(22)23-14)12-6-5-11(19)8-13(12)20/h1-8,18-21H/b14-7-", "name": "Aspulvinone G", "names": [ "Aspulvinone G" ] }, { "compound_id": "C02008", "inchi": "InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3/b24-14-", "name": "Aspulvinone H", "names": [ "Aspulvinone H" ] }, { "compound_id": "C02009", "inchi": "InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)", "name": "Benzimidazole", "names": [ "Benzimidazole" ] }, { "compound_id": "C02010", "inchi": "InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9?,10-,13+,14-/m0/s1", "name": "Blasticidin S", "names": [ "Blasticidin S" ] }, { "compound_id": "C02012", "inchi": null, "name": "Catecholamine", "names": [ "Catecholamine" ] }, { "compound_id": "C02013", "inchi": "InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18?,19?,20?,21?,22?,23?,24?/m1/s1", "name": "Cellotetraose", "names": [ "Cellotetraose" ] }, { "compound_id": "C02014", "inchi": null, "name": "Choline ester", "names": [ "Choline ester" ] }, { "compound_id": "C02015", "inchi": "InChI=1S/C42H70N14O32P6S2/c1-41(2,15-81-93(75,76)87-91(71,72)79-13-21-29(85-89(65,66)67)27(59)39(83-21)55-19-53-25-33(43)49-17-51-35(25)55)31(61)37(63)47-7-5-23(57)45-9-11-95-96-12-10-46-24(58)6-8-48-38(64)32(62)42(3,4)16-82-94(77,78)88-92(73,74)80-14-22-30(86-90(68,69)70)28(60)40(84-22)56-20-54-26-34(44)50-18-52-36(26)56/h17-22,27-32,39-40,59-62H,5-16H2,1-4H3,(H,45,57)(H,46,58)(H,47,63)(H,48,64)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H2,43,49,51)(H2,44,50,52)(H2,65,66,67)(H2,68,69,70)/t21-,22-,27-,28-,29-,30-,31?,32?,39-,40-/m1/s1", "name": "CoA-disulfide", "names": [ "CoA-disulfide" ] }, { "compound_id": "C02017", "inchi": null, "name": "Corticotropin", "names": [ "ACTH", "Adrenocorticotropic hormone", "Corticotropin" ] }, { "compound_id": "C02018", "inchi": "InChI=1S/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H", "name": "Cyanopyrazine", "names": [ "2-Cyanopyrazine", "Cyanopyrazine" ] }, { "compound_id": "C02020", "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2", "name": "Cyclopentanol", "names": [ "Cyclopentanol", "Cyclopentyl alcohol" ] }, { "compound_id": "C02021", "inchi": null, "name": "Cytochrome c1", "names": [ "Cytochrome c1" ] }, { "compound_id": "C02022", "inchi": "InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m1/s1", "name": "D-Erythrulose", "names": [ "D-Erythrulose" ] }, { "compound_id": "C02023", "inchi": null, "name": "D-Galactoside", "names": [ "D-Galactoside" ] }, { "compound_id": "C02024", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6?/m0/s1", "name": "D-Mannuronate", "names": [ "D-Mannuronate", "D-Mannuronic acid" ] }, { "compound_id": "C02026", "inchi": "InChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h1-2,6H,3H2,(H2,5,7)", "name": "Deoxycytosine", "names": [ "2'-Deoxycytosine", "Deoxycytosine" ] }, { "compound_id": "C02027", "inchi": "InChI=1S/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)/t16-,18-,19-,23-,25+,26+/m0/s1", "name": "Deoxylimonate", "names": [ "Deoxylimonate", "Deoxylimonic acid" ] }, { "compound_id": "C02028", "inchi": "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)", "name": "Dicarboxylate", "names": [ "Dicarboxylate", "Dicarboxylic acid" ] }, { "compound_id": "C02029", "inchi": "InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m0/s1", "name": "Dihydrozeatin", "names": [ "2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol", "Dihydrozeatin", "N6-(4-Hydroxyisopentanyl)adenine" ] }, { "compound_id": "C02030", "inchi": "InChI=1S/C36H58N7O17P3S/c1-22(2)9-7-10-23(3)11-8-12-24(4)17-27(45)64-16-15-38-26(44)13-14-39-34(48)31(47)36(5,6)19-57-63(54,55)60-62(52,53)56-18-25-30(59-61(49,50)51)29(46)35(58-25)43-21-42-28-32(37)40-20-41-33(28)43/h9,11,17,20-21,25,29-31,35,46-47H,7-8,10,12-16,18-19H2,1-6H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/b23-11+,24-17+/t25-,29-,30-,31?,35-/m1/s1", "name": "Farnesoyl-CoA", "names": [ "Farnesoyl-CoA" ] }, { "compound_id": "C02031", "inchi": null, "name": "G(5')pppR-RNA", "names": [ "G(5')pppPur-mRNA", "G(5')pppR-RNA" ] }, { "compound_id": "C02033", "inchi": "InChI=1S/C20H41N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h8-19,25-28H,4-7,21-24H2,1-3H3/t8-,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+/m1/s1", "name": "Gentamicin C2", "names": [ "Gentamicin C2" ] }, { "compound_id": "C02034", "inchi": "InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14?,17+,18+,19-,20-/m0/s1", "name": "Gibberellin A19", "names": [ "Gibberellin 19", "Gibberellin A19" ] }, { "compound_id": "C02035", "inchi": "InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1", "name": "Gibberellin A20", "names": [ "Gibberellin 20", "Gibberellin A20" ] }, { "compound_id": "C02037", "inchi": "InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)", "name": "Glycylglycine", "names": [ "Glycylglycine", "N-Glycylglycine" ] }, { "compound_id": "C02038", "inchi": null, "name": "Glycylpeptide", "names": [ "Glycylpeptide" ] }, { "compound_id": "C02040", "inchi": "InChI=1S/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H", "name": "Hydroxyindole", "names": [ "4-Hydroxyindole", "Hydroxyindole" ] }, { "compound_id": "C02041", "inchi": "InChI=1S/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t30-,34-,35-,36?,40-/m1/s1", "name": "Eicosanoyl-CoA", "names": [ "Arachidoyl-CoA", "Eicosanoyl-CoA", "Icosanoyl-CoA" ] }, { "compound_id": "C02043", "inchi": "InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)", "name": "Indolelactate", "names": [ "Indolelactate", "indole-3-lactate" ] }, { "compound_id": "C02045", "inchi": "InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1", "name": "L-Erythrulose", "names": [ "L-Erythrulose" ] }, { "compound_id": "C02046", "inchi": "InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1", "name": "L-Hyoscyamine", "names": [ "Daturine", "Duboisine", "L-Hyoscyamine", "L-Tropine tropate" ] }, { "compound_id": "C02047", "inchi": null, "name": "L-Leucyl-tRNA", "names": [ "L-Leucyl-tRNA", "L-Leucyl-tRNA(Leu)" ] }, { "compound_id": "C02048", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11?,12+/m1/s1", "name": "Laminaribiose", "names": [ "3-beta-D-Glucosyl-D-glucose", "Laminariaceae", "Laminaribiose" ] }, { "compound_id": "C02049", "inchi": null, "name": "Limit dextrin", "names": [ "Limit dextrin", "alpha- and beta-Limit dextrin" ] }, { "compound_id": "C02050", "inchi": "InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-/t28-,32-,33-,34?,38-/m1/s1", "name": "Linoleoyl-CoA", "names": [ "(9Z,12Z)-Octadecadienoyl-CoA", "Linoleoyl-CoA" ] }, { "compound_id": "C02051", "inchi": null, "name": "Lipoylprotein", "names": [ "H-Protein-lipoyllysine", "Lipoylprotein" ] }, { "compound_id": "C02052", "inchi": "InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23-,24-/m1/s1", "name": "Maltotetraose", "names": [ "Maltotetraose" ] }, { "compound_id": "C02055", "inchi": null, "name": "N-Acylglycine", "names": [ "N-Acylglycine" ] }, { "compound_id": "C02056", "inchi": null, "name": "Peptidyl-tRNA", "names": [ "Peptidyl-tRNA" ] }, { "compound_id": "C02057", "inchi": "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)", "name": "Phenylalanine", "names": [ "DL-Phenylalanine", "Phenylalanine", "alpha-Amino-beta-phenylpropionic acid" ] }, { "compound_id": "C02058", "inchi": null, "name": "Phosphoramide", "names": [ "Phosphoramide" ] }, { "compound_id": "C02059", "inchi": "InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+", "name": "Phylloquinone", "names": [ "2-Methyl-3-phytyl-1,4-naphthoquinone", "Phylloquinone", "Phytonadione", "Vitamin K1" ] }, { "compound_id": "C02060", "inchi": "InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t27-,28-,29+,30-,34-,35-,36?,40-/m1/s1", "name": "Phytanoyl-CoA", "names": [ "Phytanoyl-CoA" ] }, { "compound_id": "C02061", "inchi": "", "name": "Plastoquinone", "names": [ "Plastoquinone" ] }, { "compound_id": "C02064", "inchi": "InChI=1S/C20H38O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/t18-,19-/m0/s1", "name": "Prostanoic acid", "names": [ "Prostanoic acid" ] }, { "compound_id": "C02065", "inchi": null, "name": "Protein alanine", "names": [ "Protein alanine" ] }, { "compound_id": "C02066", "inchi": "InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3", "name": "Pseudotropine", "names": [ "Pseudotropine" ] }, { "compound_id": "C02067", "inchi": "InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1", "name": "Pseudouridine", "names": [ "Pseudouridine" ] }, { "compound_id": "C02069", "inchi": null, "name": "Putidaredoxin", "names": [ "Putidaredoxin" ] }, { "compound_id": "C02072", "inchi": "InChI=1S/C27H37N9O19P2/c28-13-1-4-34(25(42)31-13)22-17(39)16(38)11(52-22)8-49-56(45,46)55-21-12(53-24(19(21)41)36-6-3-15(30)33-27(36)44)9-50-57(47,48)54-20-10(7-37)51-23(18(20)40)35-5-2-14(29)32-26(35)43/h1-6,10-12,16-24,37-41H,7-9H2,(H,45,46)(H,47,48)(H2,28,31,42)(H2,29,32,43)(H2,30,33,44)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1", "name": "RNA (poly(C))", "names": [ "RNA (poly(C))" ] }, { "compound_id": "C02073", "inchi": null, "name": "RNA(circular)", "names": [ "RNA(circular)" ] }, { "compound_id": "C02074", "inchi": "InChI=1S/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13?,16-,17-,18+,19-,20+,21-,22+,24+,25?,26?,27+/m0/s1", "name": "Raucaffricine", "names": [ "Raucaffricine", "Vomilenine beta-D-glucoside" ] }, { "compound_id": "C02075", "inchi": null, "name": "Retinyl ester", "names": [ "Retinyl ester", "all-trans-Retinyl ester" ] }, { "compound_id": "C02076", "inchi": "InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1", "name": "Sedoheptulose", "names": [ "D-Sedoheptulose", "D-altro-Heptulose", "Sedoheptulose", "Volemulose" ] }, { "compound_id": "C02077", "inchi": "InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)", "name": "Semicarbazide", "names": [ "Aminourea", "Carbamoylhydrazine", "Hydrazinecarboxamide", "Semicarbazide" ] }, { "compound_id": "C02078", "inchi": "InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13?,14+/m1/s1", "name": "Spectinomycin", "names": [ "Spectinomycin" ] }, { "compound_id": "C02079", "inchi": "InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28?/m1/s1", "name": "Staurosporine", "names": [ "STS", "Staurosporine" ] }, { "compound_id": "C02080", "inchi": "InChI=1S/C9H4O6/c10-4-1-3-7(6(12)2-5(4)11)9(14)15-8(3)13/h1-2,12H,(H,10,11)", "name": "Stipitatonate", "names": [ "Stipitatonate" ] }, { "compound_id": "C02081", "inchi": "InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)", "name": "Streptonigrin", "names": [ "Streptonigrin" ] }, { "compound_id": "C02083", "inchi": "InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2", "name": "Styrene oxide", "names": [ "Styrene oxide", "Styrene-7,8-oxide" ] }, { "compound_id": "C02084", "inchi": "InChI=1S/H2O6S4/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)", "name": "Tetrathionate", "names": [ "Tetrathionate", "Tetrathionic acid" ] }, { "compound_id": "C02085", "inchi": null, "name": "Thioglucoside", "names": [ "Thioglucoside" ] }, { "compound_id": "C02086", "inchi": "InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)", "name": "Thioglycolate", "names": [ "Mercaptoacetic acid", "Mercaptoethanoic acid", "Thioglycolate", "Thioglycolic acid" ] }, { "compound_id": "C02087", "inchi": "InChI=1S/C13H21ClN4O2S/c1-10-4-6-12(7-5-10)21(19,20)18-11(9-14)3-2-8-17-13(15)16/h4-7,11,18H,2-3,8-9H2,1H3,(H4,15,16,17)/t11-/m0/s1", "name": "Tos-Arg-CH2Cl", "names": [ "Tos-Arg-CH2Cl" ] }, { "compound_id": "C02088", "inchi": "InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1", "name": "Tos-Phe-CH2Cl", "names": [ "N-Tosyl-L-phenylalanyl chloromethyl ketone", "TPCK", "Tos-Phe-CH2Cl" ] }, { "compound_id": "C02089", "inchi": null, "name": "O-Acyltropine", "names": [ "O-Acyltropine" ] }, { "compound_id": "C02090", "inchi": "InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1", "name": "Trypanothione", "names": [ "N1,N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine", "N1,N8-Bis(glutathionyl)spermidine", "Reduced trypanothione", "Trypanothione" ] }, { "compound_id": "C02091", "inchi": "InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1", "name": "(S)-Ureidoglycine", "names": [ "(S)-Ureidoglycine" ] }, { "compound_id": "C02094", "inchi": "InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+", "name": "beta-Carotene", "names": [ "beta-Carotene" ] }, { "compound_id": "C02095", "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1", "name": "beta-D-Fucose", "names": [ "beta-D-Fucose" ] }, { "compound_id": "C02096", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1", "name": "beta-D-Xylose", "names": [ "beta-D-Xylose" ] }, { "compound_id": "C02097", "inchi": "InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11-,12-,13+,15+/m0/s1", "name": "dTDP-galactose", "names": [ "dTDP-D-galactose", "dTDP-galactose" ] }, { "compound_id": "C02099", "inchi": "InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2/t15-/m0/s1", "name": "(2S)-Flavanone", "names": [ "(2S)-Flavanone" ] }, { "compound_id": "C02100", "inchi": null, "name": "(5')ppPur-mRNA", "names": [ "(5')ppPur-mRNA" ] }, { "compound_id": "C02101", "inchi": "InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17+,18+,19+,20+,21-,22+,23?,24?,25?,26-,27?,28+,29?,30?/m1/s1", "name": "Glucomannan longer by one mannose unit", "names": [ "Glucomannan longer by one mannose unit" ] }, { "compound_id": "C02103", "inchi": null, "name": "(S)-2-Haloacid", "names": [ "(S)-2-Haloacid" ] }, { "compound_id": "C02104", "inchi": "InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m0/s1", "name": "(S)-Mevalonate", "names": [ "(S)-3,5-Dihydroxy-3-methylvaleric acid", "(S)-Mevalonate", "(S)-Mevalonic acid" ] }, { "compound_id": "C02105", "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1", "name": "(S)-Reticuline", "names": [ "(+)-Reticuline", "(S)-Reticuline" ] }, { "compound_id": "C02106", "inchi": "InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1", "name": "(S)-Scoulerine", "names": [ "(13aS)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol", "(S)-Scoulerine" ] }, { "compound_id": "C02107", "inchi": "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1", "name": "(S,S)-Tartaric acid", "names": [ "(-)-Tartaric acid", "(2S,3S)-Tartaric acid", "(S,S)-Tartaric acid", "(S,S)-Tartrate", "D-Tartaric acid", "D-Tartrate" ] }, { "compound_id": "C02108", "inchi": "InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3", "name": "1,2-Campholide", "names": [ "1,2-Campholide" ] }, { "compound_id": "C02110", "inchi": "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+", "name": "11-cis-Retinal", "names": [ "11-cis-Retinal", "11-cis-Retinene", "11-cis-Vitamin A aldehyde" ] }, { "compound_id": "C02111", "inchi": null, "name": "2,4-Dioxo acid", "names": [ "2,4-Dioxo acid" ] }, { "compound_id": "C02112", "inchi": null, "name": "2-Acylglycerol", "names": [ "2-Acylglycerol", "2-Glyceride", "2-Monoacylglycerol" ] }, { "compound_id": "C02115", "inchi": "InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)", "name": "2-Methylserine", "names": [ "2-Methylserine" ] }, { "compound_id": "C02116", "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3", "name": "2-Nitropropane", "names": [ "2-Nitropropane" ] }, { "compound_id": "C02117", "inchi": "InChI=1S/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)/t16-,17-,18+/m1/s1", "name": "2-Oxophytanate", "names": [ "2-Oxophytanate", "2-Oxophytanic acid" ] }, { "compound_id": "C02118", "inchi": null, "name": "3,5-Dioxo acid", "names": [ "3,5-Dioxo acid" ] }, { "compound_id": "C02119", "inchi": null, "name": "3-Acylpyruvate", "names": [ "3-Acylpyruvate" ] }, { "compound_id": "C02122", "inchi": "InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)", "name": "3-Oxohexanoic acid", "names": [ "3-Oxohexanoate", "3-Oxohexanoic acid" ] }, { "compound_id": "C02123", "inchi": "InChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m0/s1", "name": "3-Propylmalate", "names": [ "3-Propylmalate" ] }, { "compound_id": "C02124", "inchi": "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H", "name": "4-Chlorophenol", "names": [ "4-Chlorophenol", "Parachlorophenol", "p-Chlorophenol" ] }, { "compound_id": "C02125", "inchi": null, "name": "4-Nitroanilide", "names": [ "4-Nitroanilide" ] }, { "compound_id": "C02126", "inchi": "InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2", "name": "4-Nitroaniline", "names": [ "4-Nitroaniline", "4-Nitrobenzeneamine", "p-Nitroaniline" ] }, { "compound_id": "C02128", "inchi": null, "name": "5'-Phospho-DNA", "names": [ "5'-Phospho-DNA", "DNA 5'-phosphate" ] }, { "compound_id": "C02129", "inchi": "InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)", "name": "5-Oxohexanoic acid", "names": [ "4-Acetylbutyric acid", "5-Oxohexanoate", "5-Oxohexanoic acid" ] }, { "compound_id": "C02130", "inchi": "InChI=1S/C14H24O12/c1-4(16)23-3-6-7(17)8(18)11(21)14(25-6)26-12-5(2-15)24-13(22)10(20)9(12)19/h5-15,17-22H,2-3H2,1H3/t5-,6-,7-,8+,9-,10-,11-,12-,13?,14-/m1/s1", "name": "Acetyl-maltose", "names": [ "6-O-Acetyl-alpha-D-glucopyranosyl-(1->4)-D-glucose", "Acetyl-maltose" ] }, { "compound_id": "C02131", "inchi": "InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11)", "name": "Acetylagmatine", "names": [ "Acetylagmatine" ] }, { "compound_id": "C02132", "inchi": "InChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9)", "name": "Acetylpyruvate", "names": [ "2,4-Dioxopentanoate", "Acetylpyruvate", "Acetylpyruvic acid" ] }, { "compound_id": "C02133", "inchi": null, "name": "Acyl phosphate", "names": [ "Acyl phosphate" ] }, { "compound_id": "C02134", "inchi": "InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3", "name": "Allocryptopine", "names": [ "Allocryptopine" ] }, { "compound_id": "C02135", "inchi": "InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1", "name": "Angiotensin II", "names": [ "Angiotensin", "Angiotensin II", "Angiotonin", "Hypertensin" ] }, { "compound_id": "C02137", "inchi": "InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)", "name": "alpha-Oxo-benzeneacetic acid", "names": [ "2-Oxo-2-phenylacetate", "Benzoylformate", "Benzoylformic acid", "Phenylglyoxylate", "Phenylglyoxylic acid", "alpha-Oxo-benzeneacetic acid" ] }, { "compound_id": "C02138", "inchi": "InChI=1S/C15H19N3O7/c1-15(2,3)25-14(21)17-11(8-12(16)19)13(20)24-10-6-4-9(5-7-10)18(22)23/h4-7,11H,8H2,1-3H3,(H2,16,19)(H,17,21)/t11-/m0/s1", "name": "Boc-Asn-OPhNO2", "names": [ "Boc-Asn-OPhNO2" ] }, { "compound_id": "C02139", "inchi": "InChI=1S/C35H36N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1", "name": "Chlorophyllide", "names": [ "Chlorophyllide", "Chlorophyllide a" ] }, { "compound_id": "C02140", "inchi": "InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1", "name": "Corticosterone", "names": [ "11beta,21-Dihydroxy-4-pregnene-3,20-dione", "Corticosterone", "Kendall's compound B", "Reichstein's substance H" ] }, { "compound_id": "C02141", "inchi": "InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,25+,26+,27-,28+,29-,30+/m1/s1", "name": "Cycloeucalenol", "names": [ "Cycloeucalenol" ] }, { "compound_id": "C02142", "inchi": null, "name": "D-Ribosyl-base", "names": [ "D-Ribosyl-base", "D-Ribosyl-base1", "D-Ribosyl-base2" ] }, { "compound_id": "C02143", "inchi": null, "name": "D-threo-Aldose", "names": [ "(2S,3R)-Aldose", "D-threo-Aldose" ] }, { "compound_id": "C02144", "inchi": null, "name": "Dehydropeptide", "names": [ "Dehydropeptide" ] }, { "compound_id": "C02146", "inchi": null, "name": "Dialkyl ketone", "names": [ "Dialkyl ketone" ] }, { "compound_id": "C02147", "inchi": "InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)", "name": "Dihydrolipoate", "names": [ "Dihydro--lipoate", "Dihydrolipoate", "Dihydrolipoic acid", "Dihydrothioctic acid", "dihydro--lipoate" ] }, { "compound_id": "C02150", "inchi": "InChI=1S/C4H4O4/c5-2-1-3(6)4(7)8/h2H,1H2,(H,7,8)", "name": "Formylpyruvate", "names": [ "Formylpyruvate" ] }, { "compound_id": "C02151", "inchi": "InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,12,16-17,19,22H,8-11H2,1-2H3/b13-3-/t16-,17-,19-/m0/s1", "name": "Geissoschizine", "names": [ "Geissoschizine" ] }, { "compound_id": "C02153", "inchi": "InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1", "name": "Glucotropaeolin", "names": [ "Benzyl glucosinolate", "Glucotropaeolin", "Glucotropeolin" ] }, { "compound_id": "C02154", "inchi": "InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2", "name": "Glyceraldehyde", "names": [ "2,3-Dihydroxypropanal", "2,3-Dihydroxypropionaldehyde", "Aldotriose", "Glyceraldehyde", "Glycerose" ] }, { "compound_id": "C02155", "inchi": "InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1", "name": "Glycyl-leucine", "names": [ "Glycyl-L-leucine", "Glycyl-leucine" ] }, { "compound_id": "C02159", "inchi": "InChI=1S/C19H32O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-17,20-21H,3-11H2,1-2H3", "name": "Hydroxysteroid", "names": [ "Hydroxysteroid" ] }, { "compound_id": "C02160", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16?,17+,18+/m1/s1", "name": "Isomaltotriose", "names": [ "Isomaltotriose" ] }, { "compound_id": "C02161", "inchi": "InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2", "name": "2-Aminophenoxazin-3-one", "names": [ "2-Aminophenoxazin-3-one", "3-Aminophenoxazone", "Isophenoxazine" ] }, { "compound_id": "C02162", "inchi": "InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3", "name": "Isopimpinellin", "names": [ "5,8-Dimethoxypsoralen", "Isopimpinellin" ] }, { "compound_id": "C02163", "inchi": null, "name": "L-Arginyl-tRNA(Arg)", "names": [ "L-Arginyl-tRNA", "L-Arginyl-tRNA(Arg)", "L-arginyl-tRNA-arg", "l-arginyl-trna-arg" ] }, { "compound_id": "C02165", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1", "name": "Leukotriene B4", "names": [ "(6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate", "(6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoate", "LTB4", "Leukotriene B4" ] }, { "compound_id": "C02166", "inchi": "InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1", "name": "Leukotriene C4", "names": [ "LTC4", "Leukotriene C4" ] }, { "compound_id": "C02167", "inchi": "InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1-", "name": "Maleylpyruvate", "names": [ "3-Maleylpyruvate", "Maleylpyruvate", "Maleylpyruvic acid" ] }, { "compound_id": "C02168", "inchi": "InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)", "name": "Mefenamic acid", "names": [ "Mefenamic acid" ] }, { "compound_id": "C02170", "inchi": "InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)", "name": "Methylmalonate", "names": [ "Methylmalonate", "Methylmalonic acid" ] }, { "compound_id": "C02171", "inchi": null, "name": "Mononucleotide", "names": [ "Mononucleotide" ] }, { "compound_id": "C02172", "inchi": "InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3", "name": "N-Acetylisatin", "names": [ "1-Acetylisatin", "N-Acetylisatin" ] }, { "compound_id": "C02173", "inchi": null, "name": "N-Acylmuramate", "names": [ "N-Acylmuramate" ] }, { "compound_id": "C02174", "inchi": "InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)", "name": "Oligophosphate", "names": [ "Oligophosphate" ] }, { "compound_id": "C02179", "inchi": null, "name": "Peptidyl amide", "names": [ "Peptidyl amide" ] }, { "compound_id": "C02180", "inchi": "InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)", "name": "Phenylsulfate", "names": [ "Phenol sulfate", "Phenylsulfate" ] }, { "compound_id": "C02181", "inchi": "InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)", "name": "Phenoxyacetate", "names": [ "Phenoxyacetate", "Phenoxyacetic acid" ] }, { "compound_id": "C02183", "inchi": "InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H", "name": "Phloroglucinol", "names": [ "1,3,5-Benzenetriol", "1,3,5-Trihydroxybenzene", "Phloroglucinol" ] }, { "compound_id": "C02185", "inchi": "InChI=1S/C13H18O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7,14-15H,6H2,1-4H3", "name": "Plastoquinol-1", "names": [ "Plastoquinol-1" ] }, { "compound_id": "C02186", "inchi": null, "name": "Prolyl-peptide", "names": [ "Prolyl-peptide" ] }, { "compound_id": "C02188", "inchi": null, "name": "Protein lysine", "names": [ "Peptidyl-L-lysine", "Protein lysine" ] }, { "compound_id": "C02189", "inchi": null, "name": "Protein serine", "names": [ "Protein L-serine", "Protein serine" ] }, { "compound_id": "C02191", "inchi": "InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-", "name": "Protoporphyrin", "names": [ "Porphyrinogen IX", "Protoporphyrin", "Protoporphyrin IX" ] }, { "compound_id": "C02193", "inchi": "InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2-", "name": "Pyruvate oxime", "names": [ "Pyruvate oxime" ] }, { "compound_id": "C02195", "inchi": "InChI=1S/C17H28O4S/c18-22(19,20)21-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-17H,1-10H2,(H,18,19,20)", "name": "Steryl sulfate", "names": [ "Steryl sulfate" ] }, { "compound_id": "C02196", "inchi": null, "name": "Tertiary amine", "names": [ "Tertiary amine" ] }, { "compound_id": "C02197", "inchi": "InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1", "name": "Testolactone", "names": [ "Testolactone" ] }, { "compound_id": "C02198", "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1", "name": "Thromboxane A2", "names": [ "(5Z,13E)-(15S)-9alpha,11alpha-Epoxy-15-hydroxythromboxa-5,13-dienoate", "(5Z,9alpha,11alpha,13E,15S)-9,11-Epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid", "TXA2", "Thromboxane A2" ] }, { "compound_id": "C02199", "inchi": "InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13?,14+/m0/s1", "name": "UDP-L-rhamnose", "names": [ "UDP-L-rhamnose" ] }, { "compound_id": "C02200", "inchi": "InChI=1S/C15H25N3O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1", "name": "UDP-glucosamine", "names": [ "UDP-glucosamine" ] }, { "compound_id": "C02201", "inchi": "InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3", "name": "Veratraldehyde", "names": [ "3,4-Dimethoxybenzaldehyde", "Veratraldehyde", "Veratric aldehyde" ] }, { "compound_id": "C02202", "inchi": "InChI=1S/C25H27N4O/c26-28-19-23(16-20-10-4-1-5-11-20)29-25(30)24(17-21-12-6-2-7-13-21)27-18-22-14-8-3-9-15-22/h1-15,23-24,27H,16-19H2,(H,29,30)/t23-,24+/m1/s1", "name": "Z-Phe-Phe-CHN2", "names": [ "Z-Phe-Phe-CHN2" ] }, { "compound_id": "C02203", "inchi": "InChI=1S/C23H29N3O6/c1-15(2)12-19(22(29)26-31)24-21(28)20(13-16-8-10-18(27)11-9-16)25-23(30)32-14-17-6-4-3-5-7-17/h3-11,15,19-20,27,31H,12-14H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)/t19-,20+/m1/s1", "name": "Z-Tyr-Leu-NHOH", "names": [ "Benzyloxycarbonyl-Tyr-Leu-NHOH", "Cbz-Tyr-Leu-NHOH", "Z-Tyr-Leu-NHOH" ] }, { "compound_id": "C02204", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5+/m1/s1", "name": "alpha-D-Lyxose", "names": [ "alpha-D-Lyxose" ] }, { "compound_id": "C02205", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1", "name": "alpha-D-Xylose", "names": [ "alpha-D-Xylose" ] }, { "compound_id": "C02206", "inchi": "InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1", "name": "alpha-Santonin", "names": [ "alpha-Santonin" ] }, { "compound_id": "C02207", "inchi": "InChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1", "name": "beta-Alanopine", "names": [ "N-(D-1-Carboxyethyl)-beta-alanine", "beta-Alanopine" ] }, { "compound_id": "C02209", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1", "name": "beta-D-Mannose", "names": [ "beta-D-Mannose" ] }, { "compound_id": "C02210", "inchi": null, "name": "beta-Endorphin", "names": [ "beta-Endorphin" ] }, { "compound_id": "C02211", "inchi": null, "name": "tRNA precursor", "names": [ "tRNA precursor" ] }, { "compound_id": "C02213", "inchi": "InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9+,10+/m0/s1", "name": "(+)-trans-Sabinol", "names": [ "(+)-trans-Sabinol", "Sabinol" ] }, { "compound_id": "C02214", "inchi": "InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+", "name": "(E)-Glutaconate", "names": [ "(E)-Glutaconate", "Glutaconic acid", "trans-Glutaconate", "trans-Glutaconic acid" ] }, { "compound_id": "C02216", "inchi": "InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9)", "name": "1-Methyladenine", "names": [ "1-Methyladenine" ] }, { "compound_id": "C02217", "inchi": "InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h9H,1-8H2,(H,12,13)", "name": "10-Oxodecanoate", "names": [ "10-Oxodecanoate" ] }, { "compound_id": "C02218", "inchi": "InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)", "name": "Dehydroalanine", "names": [ "2-Aminoacrylate", "Dehydroalanine" ] }, { "compound_id": "C02220", "inchi": "InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1+,4-2-", "name": "2-Aminomuconate", "names": [ "2-Aminomuconate", "2-Aminomuconic acid", "o-Aminomuconate" ] }, { "compound_id": "C02221", "inchi": "InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H", "name": "2-Cyanopyridine", "names": [ "2-Cyanopyridine" ] }, { "compound_id": "C02222", "inchi": "InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/b2-1-", "name": "2-Maleylacetate", "names": [ "2-Maleylacetate", "4-Oxohex-2-enedioate", "Maleylacetate" ] }, { "compound_id": "C02223", "inchi": "InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3", "name": "2-Methylbutanal", "names": [ "2-Methylbutanal", "2-Methylbutyraldehyde" ] }, { "compound_id": "C02224", "inchi": "InChI=1S/C6H16NO/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/q+1", "name": "2-Methylcholine", "names": [ "2-Methylcholine" ] }, { "compound_id": "C02225", "inchi": "InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1", "name": "2-Methylcitrate", "names": [ "(2R,3S)-2-Hydroxybutane-1,2,3-tricarboxylate", "2-Hydroxybutane-1,2,3-tricarboxylate", "2-Methylcitrate" ] }, { "compound_id": "C02226", "inchi": "InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-", "name": "2-Methylmaleate", "names": [ "2-Methylmaleate", "Citraconate", "Citraconic acid", "Methylmaleic acid" ] }, { "compound_id": "C02227", "inchi": "InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2", "name": "2-Naphthylamine", "names": [ "2-Aminonaphthalene", "2-Naphthalenamine", "2-Naphthylamine", "beta-Naphthylamine" ] }, { "compound_id": "C02229", "inchi": "InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2", "name": "3-aminopropanal", "names": [ "3-aminopropanal" ] }, { "compound_id": "C02230", "inchi": "InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)", "name": "3-Methylguanine", "names": [ "2-Amino-3,7-dihydro-3-methyl-6H-purin-6-one", "3-Methylguanine" ] }, { "compound_id": "C02231", "inchi": "InChI=1S/C3H3NO4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)/b2-1+", "name": "3-Nitroacrylate", "names": [ "3-Nitroacrylate" ] }, { "compound_id": "C02232", "inchi": "InChI=1S/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15,20-22,26,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t15-,20-,21-,22+,26-/m1/s1", "name": "3-oxoadipyl-CoA", "names": [ "3-oxoadipyl-CoA" ] }, { "compound_id": "C02233", "inchi": "InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2-3H2,1H3,(H,7,8)", "name": "3-Oxopentanoic acid", "names": [ "3-Oxopentanoate", "3-Oxopentanoic acid" ] }, { "compound_id": "C02234", "inchi": "InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H", "name": "4-Cyanopyridine", "names": [ "4-Cyanopyridine" ] }, { "compound_id": "C02235", "inchi": "InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H", "name": "4-Nitrocatechol", "names": [ "4-Nitrocatechol" ] }, { "compound_id": "C02236", "inchi": "InChI=1S/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)", "name": "4-Sulfobenzoate", "names": [ "4-Sulfobenzoate", "4-Sulfobenzoic acid" ] }, { "compound_id": "C02237", "inchi": "InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1", "name": "5-Oxo-D-proline", "names": [ "5-Oxo-D-proline", "D-5-Pyrrolidone-2-carboxylic acid", "D-Pyroglutamic acid" ] }, { "compound_id": "C02240", "inchi": "InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2", "name": "5-Valerolactone", "names": [ "5-Valerolactone", "delta-Valerolactone", "gamma-Valerolactone" ] }, { "compound_id": "C02241", "inchi": "InChI=1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)", "name": "7-Methyladenine", "names": [ "7-Methyladenine" ] }, { "compound_id": "C02242", "inchi": "InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)", "name": "7-Methylguanine", "names": [ "7-Methylguanine" ] }, { "compound_id": "C02243", "inchi": "InChI=1S/C11H14N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-4,6,8-9,11,16,18-19H,1-2H2,(H,12,13)/t6-,8-,9-,11-/m1/s1", "name": "8-Oxocoformycin", "names": [ "8-Oxocoformycin" ] }, { "compound_id": "C02244", "inchi": null, "name": "Aliphatic amide", "names": [ "Aliphatic amide" ] }, { "compound_id": "C02245", "inchi": null, "name": "Alkyl sulfenate", "names": [ "Alkyl sulfenate" ] }, { "compound_id": "C02246", "inchi": null, "name": "Angiotensinogen", "names": [ "Angiotensinogen", "Proangiotensin" ] }, { "compound_id": "C02247", "inchi": "InChI=1S/C28H41N8O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12,29H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", "name": "Anthranilyl-CoA", "names": [ "2-Aminobenzoyl-CoA", "Anthranilyl-CoA" ] }, { "compound_id": "C02248", "inchi": null, "name": "Apocytochrome c", "names": [ "Apocytochrome c" ] }, { "compound_id": "C02249", "inchi": "InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36?,40-/m1/s1", "name": "Arachidonyl-CoA", "names": [ "(5Z,8Z,11Z,14Z)-Icosatetraenoyl-CoA", "Arachidonoyl-CoA", "Arachidonyl-CoA" ] }, { "compound_id": "C02252", "inchi": null, "name": "Arylhydroxamate", "names": [ "Arylhydroxamate" ] }, { "compound_id": "C02253", "inchi": "InChI=1S/C12H18N4O/c13-12(14)16-9-5-4-8-15-11(17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,17)(H4,13,14,16)", "name": "Benzoylagmatine", "names": [ "Benzoylagmatine" ] }, { "compound_id": "C02255", "inchi": null, "name": "CDP-acylglycerol", "names": [ "1-Acyl-sn-glycero-3-cytidine-5'-diphosphate", "CDP-acylglycerol" ] }, { "compound_id": "C02256", "inchi": "InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1", "name": "Castanospermine", "names": [ "Castanospermine" ] }, { "compound_id": "C02257", "inchi": null, "name": "Cereal D-glucan", "names": [ "Cereal D-glucan" ] }, { "compound_id": "C02261", "inchi": "InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1", "name": "D-2-Aminobutyrate", "names": [ "(R)-2-Aminobutanoic acid", "D-2-Aminobutanoic acid", "D-2-Aminobutyrate", "D-2-Aminobutyric acid" ] }, { "compound_id": "C02262", "inchi": "InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1", "name": "D-Galactosamine", "names": [ "2-Amino-2-deoxy-D-galactose", "D-Chondrosamine", "D-Galactosamine" ] }, { "compound_id": "C02264", "inchi": "InChI=1S/C6H13NO6/c8-2-4(10)6(12)5(11)3(9)1-7-13/h1,3-6,8-13H,2H2/b7-1+/t3-,4+,5+,6+/m0/s1", "name": "D-Glucose oxime", "names": [ "D-Glucose oxime" ] }, { "compound_id": "C02265", "inchi": "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1", "name": "D-Phenylalanine", "names": [ "D-Phenylalanine", "D-alpha-Amino-beta-phenylpropionic acid" ] }, { "compound_id": "C02266", "inchi": "InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1", "name": "D-Xylonolactone", "names": [ "D-Xylono-1,5-lactone", "D-Xylonolactone" ] }, { "compound_id": "C02267", "inchi": "InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1", "name": "Deoxycoformycin", "names": [ "Deoxycoformycin", "Pentostatin" ] }, { "compound_id": "C02269", "inchi": null, "name": "Deoxynucleoside", "names": [ "2'-Deoxynucleoside", "2-Deoxy-D-ribosyl-base", "2-Deoxy-D-ribosyl-base1", "2-Deoxy-D-ribosyl-base2", "Deoxynucleoside" ] }, { "compound_id": "C02270", "inchi": null, "name": "Depurinated DNA", "names": [ "Apurinic site in DNA", "Depurinated DNA" ] }, { "compound_id": "C02271", "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2", "name": "Dichloromethane", "names": [ "Dichloromethane", "Methylene chloride", "Methylene dichloride" ] }, { "compound_id": "C02272", "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3", "name": "Diethyl sulfide", "names": [ "Diethyl sulfide", "Diethyl thioether", "Ethyl sulfide", "Ethyl thioether" ] }, { "compound_id": "C02273", "inchi": "InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6?,7-,8-,11?,12?/m0/s1", "name": "Digalacturonate", "names": [ "Digalacturonate", "Digalacturonic acid" ] }, { "compound_id": "C02274", "inchi": "InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2", "name": "Dihydrocoumarin", "names": [ "3,4-Dihydrocoumarin", "Dihydrocoumarin" ] }, { "compound_id": "C02277", "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3", "name": "1-Dodecanol", "names": [ "1-Dodecanol", "Dodecyl alcohol", "Dodecylalcohol", "Lauryl alcohol" ] }, { "compound_id": "C02278", "inchi": "InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3", "name": "Dodecylaldehyde", "names": [ "Dodecanal", "Dodecyl aldehyde", "Dodecylaldehyde", "Lauraldehyde" ] }, { "compound_id": "C02280", "inchi": "InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1", "name": "GDP-L-galactose", "names": [ "GDP-L-galactose" ] }, { "compound_id": "C02282", "inchi": null, "name": "Glutaminyl-tRNA", "names": [ "Gln-tRNA(Gln)", "Glutaminyl-tRNA", "Glutaminyl-tRNA(Gln)", "L-Glutaminyl-tRNA(Gln)" ] }, { "compound_id": "C02283", "inchi": "InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1", "name": "Glycyrrhetinate", "names": [ "Enoxolone", "Glycyrrhetinate", "Glycyrrhetinic acid" ] }, { "compound_id": "C02284", "inchi": "InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22?,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35?,38+,39-,40-,41+,42+/m0/s1", "name": "Glycyrrhizinate", "names": [ "(3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid", "Glycyrrhizic acid", "Glycyrrhizin", "Glycyrrhizinate" ] }, { "compound_id": "C02287", "inchi": "InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)", "name": "Hydroxymalonate", "names": [ "2-Hydroxymalonate", "2-Hydroxymalonic acid", "2-Tartronic acid", "Hydroxymalonate", "Hydroxymalonic acid", "Tartronic acid" ] }, { "compound_id": "C02288", "inchi": null, "name": "Reduced insulin", "names": [ "Reduced insulin" ] }, { "compound_id": "C02289", "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m0/s1", "name": "Isopiperitenone", "names": [ "Isopiperitenone" ] }, { "compound_id": "C02290", "inchi": "InChI=1S/C7H16N2O2/c1-9(2,3)5-6(10)4-7(8)11/h6,10H,4-5H2,1-3H3,(H-,8,11)/p+1/t6-/m1/s1", "name": "L-Carnitinamide", "names": [ "L-Carnitinamide" ] }, { "compound_id": "C02291", "inchi": "InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1", "name": "L-Cystathionine", "names": [ "L-Cystathionine" ] }, { "compound_id": "C02293", "inchi": "InChI=1S/C15H24O2/c1-12(10-17-11-16)7-8-14-13(2)6-5-9-15(14,3)4/h10-11H,5-9H2,1-4H3/b12-10+", "name": "Latia luciferin", "names": [ "Latia luciferin" ] }, { "compound_id": "C02294", "inchi": "InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)", "name": "Methylguanidine", "names": [ "Methylguanidine" ] }, { "compound_id": "C02295", "inchi": "InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h4H,1H2,2H3,(H,7,8)(H,9,10)", "name": "Methylitaconate", "names": [ "2-Methylene-3-methylsuccinate", "Methylitaconate" ] }, { "compound_id": "C02297", "inchi": "InChI=1S/C3H8N2O/c1-3(6)5-2-4/h2,4H2,1H3,(H,5,6)", "name": "N-Acetyldiamine", "names": [ "N-Acetyldiamine" ] }, { "compound_id": "C02298", "inchi": "InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-6,13H,1H3", "name": "N-Acetylindoxyl", "names": [ "Acetylindoxyl", "N-Acetylindoxyl" ] }, { "compound_id": "C02299", "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3", "name": "N-Methylaniline", "names": [ "N-Methylaniline", "N-Methylbenzenamine" ] }, { "compound_id": "C02301", "inchi": null, "name": "O-Acylcarnitine", "names": [ "O-Acylcarnitine" ] }, { "compound_id": "C02303", "inchi": null, "name": "Peptidylglycine", "names": [ "Peptidylglycine" ] }, { "compound_id": "C02304", "inchi": "InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2", "name": "Phenylhydrazine", "names": [ "Hydrazinobenzene", "Phenyldiazane", "Phenylhydrazine" ] }, { "compound_id": "C02305", "inchi": "InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)", "name": "Phosphocreatine", "names": [ "Creatine phosphate", "N-Phosphocreatine", "Phosphocreatine" ] }, { "compound_id": "C02306", "inchi": "InChI=1S/H4NO3P/c1-5(2,3)4/h(H4,1,2,3,4)", "name": "Phosphoramidate", "names": [ "Amidophosphoric acid", "Phosphoramidate", "Phosphoramide", "Phosphoramidic acid" ] }, { "compound_id": "C02307", "inchi": null, "name": "Phosphorylase a", "names": [ "Phosphorylase a", "[Phosphorylase a]" ] }, { "compound_id": "C02308", "inchi": null, "name": "Phosphorylase b", "names": [ "Phosphorylase b", "[Phosphorylase b]" ] }, { "compound_id": "C02311", "inchi": "InChI=1S/CH6N2/c2-1-3/h1-3H2", "name": "Primary diamine", "names": [ "Primary diamine" ] }, { "compound_id": "C02314", "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1", "name": "Prostaglandin F2beta", "names": [ "5-Heptenoic acid, 7-[3,5-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl]-, stereoisomer", "9beta,11alpha-PGF2a", "9beta,11alpha-PGF2alpha", "PGF2b", "PGF2beta", "Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-,(5Z,9beta,11alpha,13E,15S)-", "Prostaglandin F2b", "Prostaglandin F2beta" ] }, { "compound_id": "C02315", "inchi": null, "name": "Protein dithiol", "names": [ "Protein dithiol" ] }, { "compound_id": "C02318", "inchi": null, "name": "R'C(R)S-S(R)CR'", "names": [ "R'C(R)S-S(R)CR'" ] }, { "compound_id": "C02319", "inchi": null, "name": "R-CHOH-CO-CH2OH", "names": [ "R-CHOH-CO-CH2OH" ] }, { "compound_id": "C02320", "inchi": null, "name": "R-S-Glutathione", "names": [ "R-S-Glutathione" ] }, { "compound_id": "C02321", "inchi": null, "name": "Rubber particle", "names": [ "Rubber", "Rubber (all-cis)", "Rubber particle" ] }, { "compound_id": "C02323", "inchi": "InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2", "name": "Salicyl alcohol", "names": [ "2-(Hydroxymethyl)phenol", "2-Hydroxybenzyl alcohol", "Salicyl alcohol", "Saligenin" ] }, { "compound_id": "C02324", "inchi": null, "name": "Secondary amine", "names": [ "Secondary amine" ] }, { "compound_id": "C02325", "inchi": "InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+", "name": "Sinapyl alcohol", "names": [ "Sinapoyl alcohol", "Sinapyl alcohol" ] }, { "compound_id": "C02327", "inchi": null, "name": "Thiogalactoside", "names": [ "Thiogalactoside" ] }, { "compound_id": "C02328", "inchi": "InChI=1S/C15H15NO3.Na/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;/h3-8H,9H2,1-2H3,(H,17,18);/q;+1/p-1", "name": "Tolmetin sodium", "names": [ "Tolmetin sodium" ] }, { "compound_id": "C02330", "inchi": "InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11-,12-,14-/m1/s1", "name": "UDP-L-iduronate", "names": [ "UDP-L-iduronate" ] }, { "compound_id": "C02331", "inchi": "InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4,12-14,18-20,24,35-36H,1,5-11H2,2-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20?,24-/m1/s1", "name": "Vinylacetyl-CoA", "names": [ "3-Butenoyl-CoA", "But-3-enoyl-CoA", "Vinylacetyl-CoA" ] }, { "compound_id": "C02332", "inchi": null, "name": "Vitamin A ester", "names": [ "Vitamin A ester" ] }, { "compound_id": "C02333", "inchi": "InChI=1S/C9H10N4O4/c1-3(14)6(15)4-2-10-7-5(11-4)8(16)13-9(17)12-7/h3,14H,2H2,1H3,(H3,10,12,13,16,17)", "name": "Xanthopterin-B2", "names": [ "1-(7,8-Dihydro-2,4-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one", "Xanthopterin-B2" ] }, { "compound_id": "C02334", "inchi": "InChI=1S/C30H39N9O6/c1-18-15-25(40)45-24-16-20(11-12-21(18)24)37-22(9-5-13-35-28(31)32)26(41)39-27(42)23(10-6-14-36-29(33)34)38-30(43)44-17-19-7-3-2-4-8-19/h2-4,7-8,11-12,15-16,22-23,37H,5-6,9-10,13-14,17H2,1H3,(H,38,43)(H4,31,32,35)(H4,33,34,36)(H,39,41,42)/t22-,23-/m0/s1", "name": "Z-Arg-Arg-NHMec", "names": [ "Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide", "Z-Arg-Arg-NHMec" ] }, { "compound_id": "C02335", "inchi": "InChI=1S/C24H41N8O17P3S/c1-24(2,19(36)22(37)28-6-4-14(33)27-7-8-53-15(34)3-5-25)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)32-12-31-16-20(26)29-11-30-21(16)32/h11-13,17-19,23,35-36H,3-10,25H2,1-2H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1", "name": "beta-Alanyl-CoA", "names": [ "beta-Alanyl-CoA" ] }, { "compound_id": "C02336", "inchi": "InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1", "name": "beta-D-Fructose", "names": [ "Fructose", "beta-D-Fructose", "beta-D-arabino-Hexulose", "beta-Fruit sugar", "beta-Levulose" ] }, { "compound_id": "C02337", "inchi": null, "name": "beta-D-Xyloside", "names": [ "beta-D-Xyloside" ] }, { "compound_id": "C02338", "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m0/s1", "name": "beta-L-Rhamnose", "names": [ "beta-6-Deoxy-L-mannose", "beta-L-Mannomethylose", "beta-L-Rhamnose" ] }, { "compound_id": "C02339", "inchi": null, "name": "m7G(5')pppR-RNA", "names": [ "m7G(5')pppR-RNA", "mRNA containing an N7-methylguanine cap" ] }, { "compound_id": "C02341", "inchi": "InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+", "name": "trans-Aconitate", "names": [ "trans-Aconitate", "trans-Aconitic acid" ] }, { "compound_id": "C02342", "inchi": null, "name": "'Activated' tRNA", "names": [ "'Activated' tRNA" ] }, { "compound_id": "C02343", "inchi": "InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1", "name": "(+)-Norephedrine", "names": [ "(+)-Norephedrine", "Norephedrine", "d-Norephedrine" ] }, { "compound_id": "C02344", "inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3", "name": "Fenchyl alcohol", "names": [ "(-)-endo-Fenchol", "2-Fenchanol", "Fenchyl alcohol" ] }, { "compound_id": "C02345", "inchi": "InChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/t13?,15-/m0/s1", "name": "(2S)-Flavan-4-ol", "names": [ "(2S)-Flavan-4-ol" ] }, { "compound_id": "C02347", "inchi": "InChI=1S/C42H73O39P/c43-1-8-15(48)23(56)29(62)37(71-8)77-32-21(54)12(5-47)73-39(31(32)64)78-34-26(59)18(51)11(4-46)75-41(34)80-33-25(58)17(50)10(3-45)74-40(33)68-6-13-20(53)27(60)35(79-38-30(63)24(57)16(49)9(2-44)72-38)42(76-13)81-82(66,67)69-7-14-19(52)22(55)28(61)36(65)70-14/h8-65H,1-7H2,(H,66,67)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32?,33?,34?,35?,36+,37?,38?,39?,40+,41?,42-/m1/s1", "name": "Phosphomannan", "names": [ "Phosphomannan", "Phosphomannan backbone" ] }, { "compound_id": "C02348", "inchi": "InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m1/s1", "name": "(R)(-)-Allantoin", "names": [ "(R)(-)-Allantoin", "(R)-Allantoin" ] }, { "compound_id": "C02350", "inchi": "InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m0/s1", "name": "(S)(+)-Allantoin", "names": [ "(S)(+)-Allantoin", "(S)-Allantoin" ] }, { "compound_id": "C02351", "inchi": "InChI=1S/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H", "name": "o-Benzoquinone", "names": [ "1,2-Benzoquinone", "o-Benzoquinone" ] }, { "compound_id": "C02352", "inchi": null, "name": "1,4-beta-D-Xylan", "names": [ "(1,4-beta-D-Xylan)n", "(1,4-beta-D-Xylan)n+1", "1,4-beta-D-Xylan" ] }, { "compound_id": "C02353", "inchi": "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1", "name": "2',3'-Cyclic AMP", "names": [ "2',3'-Cyclic AMP" ] }, { "compound_id": "C02354", "inchi": "InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1", "name": "2',3'-Cyclic CMP", "names": [ "2',3'-Cyclic CMP" ] }, { "compound_id": "C02355", "inchi": "InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/t4-,6-,7-,8-/m1/s1", "name": "2',3'-Cyclic UMP", "names": [ "2',3'-Cyclic UMP" ] }, { "compound_id": "C02356", "inchi": "InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1", "name": "(S)-2-Aminobutanoate", "names": [ "(S)-2-Aminobutanoate", "(S)-2-Aminobutanoic acid", "(S)-2-Aminobutyric acid", "l--amino-n-butyrate" ] }, { "compound_id": "C02357", "inchi": "InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)", "name": "2-Chlorobenzoate", "names": [ "2-Chlorobenzoate", "2-Chlorobenzoic acid", "o-Chlorobenzoic acid" ] }, { "compound_id": "C02359", "inchi": "InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)", "name": "2-Fluorobenzoate", "names": [ "2-Fluorobenzoate", "2-Fluorobenzoic acid" ] }, { "compound_id": "C02360", "inchi": "InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)", "name": "2-Hydroxyadipate", "names": [ "2-Hydroxyadipate", "2-Hydroxyadipic acid" ] }, { "compound_id": "C02362", "inchi": "InChI=1S/C4H5NO4/c5-3(7)1-2(6)4(8)9/h1H2,(H2,5,7)(H,8,9)", "name": "2-Oxosuccinamate", "names": [ "2-Oxosuccinamate", "2-Oxosuccinamic acid", "Oxaloacetamid", "gamma-Aminooxaloacetate" ] }, { "compound_id": "C02363", "inchi": "InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)", "name": "3-Ethoxybenzoate", "names": [ "3-Ethoxybenzoate", "3-Ethoxybenzoic acid" ] }, { "compound_id": "C02364", "inchi": "InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)", "name": "3-Fluorobenzoate", "names": [ "3-Fluorobenzoate", "3-Fluorobenzoic acid" ] }, { "compound_id": "C02366", "inchi": "InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)", "name": "3-Methyloxindole", "names": [ "1,3-Dihydro-3-methyl-2H-indol-2-one", "3-Methyloxindole" ] }, { "compound_id": "C02367", "inchi": "InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)", "name": "3-Oxododecanoic acid", "names": [ "3-Oxododecanoate", "3-Oxododecanoic acid" ] }, { "compound_id": "C02370", "inchi": "InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)", "name": "4-Chlorobenzoate", "names": [ "4-Chlorobenzoate", "4-Chlorobenzoic acid" ] }, { "compound_id": "C02371", "inchi": "InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)", "name": "4-Fluorobenzoate", "names": [ "4-Fluorobenzoate", "4-Fluorobenzoic acid" ] }, { "compound_id": "C02372", "inchi": "InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2", "name": "4-Hydroxyaniline", "names": [ "4-Aminobenzenol", "4-Aminophenol", "4-Hydroxyaniline", "p-Aminophenol" ] }, { "compound_id": "C02373", "inchi": "InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3", "name": "4-Methylpentanal", "names": [ "4-Methylpentanal", "Isocaproaldehyde", "Isohexanal" ] }, { "compound_id": "C02374", "inchi": null, "name": "5'-Dephospho-DNA", "names": [ "5'-Dephospho-DNA" ] }, { "compound_id": "C02375", "inchi": "InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H", "name": "4-Chlorocatechol", "names": [ "4-Chlorocatechol" ] }, { "compound_id": "C02376", "inchi": "InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)", "name": "5-Methylcytosine", "names": [ "5-Methylcytosine" ] }, { "compound_id": "C02377", "inchi": null, "name": "5-Oxoprolyl-tRNA", "names": [ "5-Oxoprolyl-tRNA" ] }, { "compound_id": "C02378", "inchi": "InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)", "name": "6-Aminohexanoate", "names": [ "6-Aminocaproic acid", "6-Aminohexanoate", "6-Aminohexanoic acid", "Epsilcapramine" ] }, { "compound_id": "C02379", "inchi": "InChI=1S/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3/t5-/m1/s1", "name": "6-Hydroxymellein", "names": [ "6-Hydroxymellein" ] }, { "compound_id": "C02380", "inchi": "InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)", "name": "6-Mercaptopurine", "names": [ "6-Mercaptopurine", "Mercaptopurine" ] }, { "compound_id": "C02381", "inchi": "InChI=1S/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3/t6-/m1/s1", "name": "6-Methoxymellein", "names": [ "6-Methoxymellein" ] }, { "compound_id": "C02385", "inchi": "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)", "name": "Amino acid(Arg-)", "names": [ "2-Amino-5-guanidinovaleric acid", "Amino acid(Arg-)", "Arginine" ] }, { "compound_id": "C02389", "inchi": "InChI=1S/C6H5O2/c7-5-1-2-6(8)4-3-5/h1-4,7H", "name": "p-Benzosemiquinone", "names": [ "4-Hydroxyphenoxy radical", "p-Benzosemiquinone" ] }, { "compound_id": "C02390", "inchi": "InChI=1S/C2H6N2O2/c1-4(6)3-2-5/h5H,2H2,1H3/b4-3-", "name": "Methylazoxymethanol", "names": [ "CH3-N(O)=N-CH2OH", "Methylazoxymethanol" ] }, { "compound_id": "C02391", "inchi": null, "name": "Carboxylic ester", "names": [ "Carboxylic ester" ] }, { "compound_id": "C02394", "inchi": "InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+", "name": "Cinnamyl alcohol", "names": [ "3-Phenyl-2-propen-1-ol", "Cinnamyl alcohol", "Styrylcarbinol" ] }, { "compound_id": "C02395", "inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2", "name": "Cyclohex-2-enone", "names": [ "2-Cyclohexen-1-one", "Cyclohex-2-enone" ] }, { "compound_id": "C02399", "inchi": null, "name": "D-Xylosylprotein", "names": [ "D-Xylosylprotein", "O-beta-D-Xylosylprotein", "Protein O-D-xyloside" ] }, { "compound_id": "C02400", "inchi": "InChI=1S/C44H73NO17/c1-11-31-28(20-56-42-38(53)37(52)35(50)24(5)58-42)16-21(2)12-13-29(47)22(3)17-27(14-15-46)39(23(4)30(48)18-32(49)60-31)62-43-36(51)34(45(9)10)40(25(6)59-43)61-33-19-44(8,55)41(54)26(7)57-33/h12-13,15-16,22-28,30-31,33-43,48,50-55H,11,14,17-20H2,1-10H3/b13-12+,21-16+/t22-,23+,24-,25-,26+,27+,28-,30-,31-,33?,34-,35-,36-,37-,38-,39?,40-,41+,42-,43?,44-/m1/s1", "name": "Demethylmacrocin", "names": [ "2'''-O-Demethyllactenocin", "Demethylmacrocin" ] }, { "compound_id": "C02401", "inchi": null, "name": "Dialkylarylamine", "names": [ "Dialkylarylamine" ] }, { "compound_id": "C02403", "inchi": null, "name": "Fatty acid anion", "names": [ "Alkanate", "Alkane acid", "Fatty acid anion" ] }, { "compound_id": "C02404", "inchi": null, "name": "Fibrinopeptide B", "names": [ "Fibrinopeptide B" ] }, { "compound_id": "C02405", "inchi": "InChI=1S/CH3O5P/c2-1-6-7(3,4)5/h1H,(H2,3,4,5)", "name": "Formyl phosphate", "names": [ "Formyl phosphate" ] }, { "compound_id": "C02410", "inchi": null, "name": "Glucosylated DNA", "names": [ "Glucosylated DNA" ] }, { "compound_id": "C02411", "inchi": "InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b5-3+/t14-,19-,20-,21?,25-/m1/s1", "name": "Glutaconyl-1-CoA", "names": [ "4-Carboxybut-2-enoyl-CoA", "Glutaconyl-1-CoA" ] }, { "compound_id": "C02412", "inchi": null, "name": "Glycyl-tRNA(Gly)", "names": [ "Glycyl-tRNA(Gly)" ] }, { "compound_id": "C02413", "inchi": "InChI=1S/C13H24O7/c1-2-3-4-5-6-9(15)20-13-12(18)11(17)10(16)8(7-14)19-13/h8,10-14,16-18H,2-7H2,1H3/t8-,10-,11+,12-,13+/m1/s1", "name": "Heptopyranosides", "names": [ "Heptopyranosides" ] }, { "compound_id": "C02415", "inchi": null, "name": "Histone-L-lysine", "names": [ "Histone-L-lysine" ] }, { "compound_id": "C02419", "inchi": "InChI=1S/C3H9N3O2S/c4-3(5)6-1-2-9(7)8/h1-2H2,(H,7,8)(H4,4,5,6)", "name": "Hypotaurocyamine", "names": [ "Hypotaurocyamine" ] }, { "compound_id": "C02420", "inchi": "InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3", "name": "Isobutyronitrile", "names": [ "Isobutyronitrile" ] }, { "compound_id": "C02421", "inchi": "InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)", "name": "Isonicotineamide", "names": [ "Isonicotinamide", "Isonicotineamide" ] }, { "compound_id": "C02424", "inchi": null, "name": "L-Arginine ester", "names": [ "L-Arginine ester" ] }, { "compound_id": "C02426", "inchi": "InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m1/s1", "name": "L-Glyceraldehyde", "names": [ "L-2,3-Dihydroxypropanal", "L-2,3-Dihydroxypropionaldehyde", "L-Aldotriose", "L-Glyceraldehyde", "L-Glycerose" ] }, { "compound_id": "C02427", "inchi": "InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1", "name": "L-Homocitrulline", "names": [ "L-Homocitrulline" ] }, { "compound_id": "C02429", "inchi": null, "name": "L-Leucyl-protein", "names": [ "L-Leucyl-protein" ] }, { "compound_id": "C02430", "inchi": null, "name": "L-Methionyl-tRNA", "names": [ "L-Methionyl-tRNA", "L-Methionyl-tRNA(Met)" ] }, { "compound_id": "C02431", "inchi": "InChI=1S/C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-10H,1H3/t2-,3-,4+,5-,6?/m0/s1", "name": "L-Rhamnofuranose", "names": [ "L-Rhamnofuranose" ] }, { "compound_id": "C02434", "inchi": null, "name": "Long-chain ester", "names": [ "Long-chain ester" ] }, { "compound_id": "C02436", "inchi": null, "name": "Methylated amine", "names": [ "Methylated amine" ] }, { "compound_id": "C02440", "inchi": null, "name": "N-Desulfoheparin", "names": [ "Heparamine", "N-Desulfoheparin" ] }, { "compound_id": "C02441", "inchi": "InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3", "name": "N-Ethylmaleimide", "names": [ "N-Ethylmaleimide" ] }, { "compound_id": "C02442", "inchi": "InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3", "name": "N-Methyltyramine", "names": [ "N-Methyltyramine" ] }, { "compound_id": "C02444", "inchi": null, "name": "N6-Acyl-L-lysine", "names": [ "N6-Acyl-L-lysine" ] }, { "compound_id": "C02445", "inchi": "InChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-7H2,1-2H3", "name": "Nonane-4,6-dione", "names": [ "Nonane-4,6-dione" ] }, { "compound_id": "C02446", "inchi": null, "name": "O-Alkylglycerone", "names": [ "O-Alkylglycerone" ] }, { "compound_id": "C02447", "inchi": null, "name": "O-Methylated RNA", "names": [ "O-Methylated RNA" ] }, { "compound_id": "C02451", "inchi": "InChI=1S/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b6-5+/t15-,19-,20-,21?,25-/m1/s1", "name": "Pent-2-enoyl-CoA", "names": [ "Pent-2-enoyl-CoA" ] }, { "compound_id": "C02452", "inchi": "InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1", "name": "Perillyl alcohol", "names": [ "(-)-Perillyl alcohol", "(-)-Perillylalcohol", "Perillyl alcohol", "p-Mentha-1,8-dien-7-ol" ] }, { "compound_id": "C02453", "inchi": "InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3", "name": "Phenolic steroid", "names": [ "Phenolic steroid" ] }, { "compound_id": "C02454", "inchi": "InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2", "name": "Phenylenediamine", "names": [ "1,3-Benzenediamine", "Benzenediamine", "Diaminobenzene", "Phenylenediamine", "m-Diaminobenzene", "m-Phenylenediamine", "meta-Phenylenediamine" ] }, { "compound_id": "C02455", "inchi": "InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3", "name": "1-Phenylethylamine", "names": [ "1-Phenylethylamine", "alpha-Methylbenzylamine", "alpha-Phenylethylamine" ] }, { "compound_id": "C02456", "inchi": null, "name": "Phosphorhodopsin", "names": [ "Phosphorhodopsin" ] }, { "compound_id": "C02457", "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2", "name": "Propane-1,3-diol", "names": [ "1,3-Propanediol", "Propane-1,3-diol", "Trimethylene glycol" ] }, { "compound_id": "C02461", "inchi": null, "name": "Protein Cys-Cys", "names": [ "Protein Cys-Cys" ] }, { "compound_id": "C02462", "inchi": "InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1", "name": "Sabinene hydrate", "names": [ "Sabinene hydrate" ] }, { "compound_id": "C02463", "inchi": "InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,30-16-,31-15-/t23-,24-,41+,42+/m1/s1", "name": "Precorrin 2", "names": [ "Dihydrosirohydrochlorin", "Precorrin 2" ] }, { "compound_id": "C02465", "inchi": "InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1", "name": "Triiodothyronine", "names": [ "3,3'5-Triiodo-L-thyronine", "3,5,3'-Triiodo-L-thyronine", "3,5,3'-Triiodothyronine", "L-3,5,3'-Triiodothyronine", "Liothyronine", "T3", "Triiodothyronine" ] }, { "compound_id": "C02466", "inchi": "InChI=1S/H3O9P3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h(H,1,2)(H,3,4)(H,5,6)", "name": "Trimetaphosphoric acid", "names": [ "Trimetaphosphate", "Trimetaphosphoric acid", "cyclo-Triphosphoric acid" ] }, { "compound_id": "C02467", "inchi": "InChI=1S/C15H25N3O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9+,10-,11-,12-,13-,14-/m1/s1", "name": "UDP-galactosamine", "names": [ "UDP-galactosamine" ] }, { "compound_id": "C02469", "inchi": "InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-", "name": "Uroporphyrin III", "names": [ "Uroporphyrin III" ] }, { "compound_id": "C02470", "inchi": "InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)", "name": "Xanthurenic acid", "names": [ "Xanthurenate", "Xanthurenic acid" ] }, { "compound_id": "C02471", "inchi": "", "name": "[Glu(-Cys)]n-Gly", "names": [ "[Glu(-Cys)]n-Gly" ] }, { "compound_id": "C02472", "inchi": null, "name": "alpha-D-Fucoside", "names": [ "alpha-D-Fucoside" ] }, { "compound_id": "C02473", "inchi": null, "name": "alpha-D-Lyxoside", "names": [ "alpha-D-Lyxoside" ] }, { "compound_id": "C02474", "inchi": null, "name": "Arabinan", "names": [ "Arabinan", "alpha-L-Araban", "alpha-L-Arabinan" ] }, { "compound_id": "C02475", "inchi": null, "name": "alpha-L-Fucoside", "names": [ "alpha-L-Fucoside" ] }, { "compound_id": "C02476", "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1", "name": "alpha-L-Rhamnose", "names": [ "alpha-6-Deoxy-L-mannose", "alpha-L-Mannomethylose", "alpha-L-Rhamnose" ] }, { "compound_id": "C02477", "inchi": "InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1", "name": "alpha-Tocopherol", "names": [ "Vitamin E", "alpha-Tocopherol" ] }, { "compound_id": "C02478", "inchi": null, "name": "beta-D-Mannoside", "names": [ "beta-D-Mannoside" ] }, { "compound_id": "C02479", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1", "name": "beta-L-Arabinose", "names": [ "beta-L-Arabinose" ] }, { "compound_id": "C02480", "inchi": "InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-", "name": "cis,cis-Muconate", "names": [ "cis,cis-2,4-Hexadienedioic acid", "cis,cis-Hexadienedioate", "cis,cis-Muconate", "cis-cis-Hexadienedioate", "cis-cis-hexadienedioate" ] }, { "compound_id": "C02483", "inchi": "InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1", "name": "gamma-Tocopherol", "names": [ "gamma-Tocopherol" ] }, { "compound_id": "C02484", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8,10-11H,4-6H2,1-3H3/t8-,10+/m1/s1", "name": "(+)-trans-Pulegol", "names": [ "(+)-trans-Pulegol" ] }, { "compound_id": "C02485", "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1", "name": "(-)-Isopiperitenone", "names": [ "(-)-(4R)-Isopiperitenone", "(-)-Isopiperitenone" ] }, { "compound_id": "C02486", "inchi": "InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1", "name": "(3R)-beta-Leucine", "names": [ "(3R)-3-Amino-4-methylpentanoic acid", "(3R)-3-Amino-4-methylvaleric acid", "(3R)-beta-Leucine" ] }, { "compound_id": "C02487", "inchi": "InChI=1S/C13H23N3O5/c1-8(13(20)21)15-12(19)11(16-10(3)18)6-4-5-7-14-9(2)17/h8,11H,4-7H2,1-3H3,(H,14,17)(H,15,19)(H,16,18)(H,20,21)/t8-,11+/m1/s1", "name": "(Ac)2-L-Lys-D-Ala", "names": [ "(Ac)2-L-Lys-D-Ala", "(Ac)2-L-lysyl-D-alanine" ] }, { "compound_id": "C02488", "inchi": "InChI=1S/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m1/s1", "name": "(R)-2-Ethylmalate", "names": [ "(R)-2-Ethylmalate" ] }, { "compound_id": "C02489", "inchi": null, "name": "(R)-2-Hydroxyacid", "names": [ "(R)-2-Hydroxyacid" ] }, { "compound_id": "C02490", "inchi": null, "name": "1,2-beta-D-Glucan", "names": [ "1,2-beta-D-Glucan" ] }, { "compound_id": "C02492", "inchi": null, "name": "1,4-beta-D-Mannan", "names": [ "1,4-beta-D-Mannan" ] }, { "compound_id": "C02493", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16-,17-,18-/m1/s1", "name": "1,6-beta-D-Glucan", "names": [ "1,6-beta-D-Glucan" ] }, { "compound_id": "C02494", "inchi": "InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1", "name": "1-Methyladenosine", "names": [ "1-Methyladenosine" ] }, { "compound_id": "C02495", "inchi": "InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H", "name": "2'-Hydroxydaidzein", "names": [ "2'-Hydroxydaidzein", "3-(2,4-Dihydroxyphenyl)-7-hydroxychromen-4-one" ] }, { "compound_id": "C02496", "inchi": "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H", "name": "2,4-Dinitrophenol", "names": [ "2,4-Dinitrophenol" ] }, { "compound_id": "C02497", "inchi": "InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2", "name": "2-Butyne-1,4-diol", "names": [ "1,4-Butynediol", "2-Butyne-1,4-diol" ] }, { "compound_id": "C02498", "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3", "name": "2-Ethylhexan-1-ol", "names": [ "2-Ethyl-1-hexanol", "2-Ethylhexan-1-ol" ] }, { "compound_id": "C02499", "inchi": "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H", "name": "2-Hydroxybiphenyl", "names": [ "2-Biphenylol", "2-Hydroxybiphenyl", "2-Phenylphenol", "Orthophenyl phenol" ] }, { "compound_id": "C02501", "inchi": "InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3,7H,(H,8,9)(H,10,11)/b3-1-,4-2+", "name": "2-Hydroxymuconate", "names": [ "2-Hydroxymuconate" ] }, { "compound_id": "C02502", "inchi": "InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)", "name": "2-Hydroxypyridine", "names": [ "2-Hydroxypyridine", "2-Pyridinol", "2-Pyridone" ] }, { "compound_id": "C02504", "inchi": "InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1", "name": "alpha-Isopropylmalate", "names": [ "(2S)-2-Hydroxy-2-isopropylsuccinic acid", "(2S)-2-Isopropylmalate", "2-Isopropylmalic acid", "3-Carboxy-3-hydroxy-4-methylpentanoate", "3-Carboxy-3-hydroxyisocaproate", "alpha-Isopropylmalate" ] }, { "compound_id": "C02505", "inchi": "InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)", "name": "2-Phenylacetamide", "names": [ "2-Phenylacetamide", "alpha-Phenylacetamide" ] }, { "compound_id": "C02506", "inchi": null, "name": "21-Hydroxysteroid", "names": [ "21-Hydroxysteroid" ] }, { "compound_id": "C02507", "inchi": "InChI=1S/C10H12N5O6P/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4-5(20-6)2-19-22(17,18)21-4/h3-6H,1-2H2,(H,17,18)(H3,11,13,14,16)/t4-,5+,6+/m0/s1", "name": "3',5'-Cyclic dGMP", "names": [ "3',5'-Cyclic dGMP" ] }, { "compound_id": "C02508", "inchi": null, "name": "3'-Ribonucleotide", "names": [ "3'-Nucleoside monophosphate", "3'-Phosphomononucleotides", "3'-Ribonucleotide" ] }, { "compound_id": "C02509", "inchi": "InChI=1S/C13H19N5O13P2/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(21)8(20)6(30-12)2-29-33(26,27)31-32(24,25)28-1-5(19)13(22)23/h3-6,8-9,12,19-21H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/t5?,6-,8-,9-,12-/m1/s1", "name": "3-(ADP)-glycerate", "names": [ "3-(ADP)-glycerate" ] }, { "compound_id": "C02512", "inchi": "InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1", "name": "3-Cyano-L-alanine", "names": [ "3-Cyano-L-alanine", "L-3-Cyanoalanine", "L-beta-Cyanoalanine" ] }, { "compound_id": "C02513", "inchi": "InChI=1S/C27H42O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,23,28,31-33H,6-11,13-14H2,1-5H3/t15-,16+,17?,19-,20?,23-,25+,26+,27+/m0/s1", "name": "3-Dehydroecdysone", "names": [ "3-Dehydroecdysone" ] }, { "compound_id": "C02514", "inchi": "InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1+", "name": "3-Fumarylpyruvate", "names": [ "3-Fumarylpyruvate" ] }, { "compound_id": "C02515", "inchi": "InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1", "name": "3-Iodo-L-tyrosine", "names": [ "3-Iodo-L-tyrosine" ] }, { "compound_id": "C02517", "inchi": "InChI=1S/C12H15N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6H,3-5,7H2,1-2H3/q+1", "name": "3-Oxohexobarbital", "names": [ "3-Oxohexobarbital" ] }, { "compound_id": "C02518", "inchi": "InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)", "name": "4-Aminosalicylate", "names": [ "4-Aminosalicylate", "4-Aminosalicylic acid" ] }, { "compound_id": "C02519", "inchi": "InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)", "name": "4-Methoxybenzoate", "names": [ "4-Anisic acid", "4-Methoxybenzoate", "4-Methoxybenzoic acid" ] }, { "compound_id": "C02520", "inchi": null, "name": "5'-Ribonucleotide", "names": [ "5'-Ribonucleotide" ] }, { "compound_id": "C02521", "inchi": null, "name": "5S-rRNA precursor", "names": [ "5S-rRNA precursor" ] }, { "compound_id": "C02522", "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6?/m1/s1", "name": "6-Deoxy-D-glucose", "names": [ "6-Deoxy-D-glucose", "D-Chinovose", "D-Epifucose", "D-Glucomethylose", "D-Quinovose", "Isorhamnose", "Isorhodeose" ] }, { "compound_id": "C02525", "inchi": null, "name": "Aliphatic alcohol", "names": [ "Aliphatic alcohol" ] }, { "compound_id": "C02526", "inchi": "InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H", "name": "Biphenyl-2,3-diol", "names": [ "2,3-Dihydroxybiphenyl", "3-Phenylcatechol", "Biphenyl-2,3-diol" ] }, { "compound_id": "C02527", "inchi": "InChI=1S/C4H9O5P/c1-2-3-4(5)9-10(6,7)8/h2-3H2,1H3,(H2,6,7,8)", "name": "Butanoylphosphate", "names": [ "Butanoyl phosphate", "Butanoylphosphate" ] }, { "compound_id": "C02528", "inchi": "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1", "name": "Chenodeoxycholate", "names": [ "3alpha,7alpha-Dihydroxy-5beta-cholanic acid", "Chenodeoxycholate", "Chenodeoxycholic acid", "Chenodiol" ] }, { "compound_id": "C02530", "inchi": null, "name": "Cholesterol ester", "names": [ "Cholesterol ester" ] }, { "compound_id": "C02532", "inchi": "InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1", "name": "O-Phospho-D-serine", "names": [ "D-O-Phosphoserine", "O-Phospho-D-serine" ] }, { "compound_id": "C02533", "inchi": "InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1", "name": "Dehydrovomifoliol", "names": [ "(6R)-6-Hydroxy-3-oxo-alpha-ionone", "Dehydrovomifoliol" ] }, { "compound_id": "C02534", "inchi": null, "name": "Dialkyl phosphate", "names": [ "Dialkyl phosphate" ] }, { "compound_id": "C02535", "inchi": "InChI=1S/C2H6Se/c1-3-2/h1-2H3", "name": "Dimethyl selenide", "names": [ "Dimethyl selenide" ] }, { "compound_id": "C02536", "inchi": "InChI=1S/C41H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-33-41(42)43-35-34-40(7)32-24-31-39(6)30-23-29-38(5)28-22-27-37(4)26-21-25-36(2)3/h25,27,29,31,40H,8-24,26,28,30,32-35H2,1-7H3/b37-27+,38-29+,39-31-", "name": "Dolichyl palmitate", "names": [ "Dolichyl palmitate" ] }, { "compound_id": "C02537", "inchi": "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1", "name": "Estradiol-17alpha", "names": [ "17alpha-Estradiol", "Estradiol-17alpha" ] }, { "compound_id": "C02538", "inchi": "InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1", "name": "Estrone 3-sulfate", "names": [ "Estrone 3-sulfate" ] }, { "compound_id": "C02539", "inchi": "InChI=1S/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2", "name": "Fenoprofen calcium", "names": [ "Fenoprofen calcium" ] }, { "compound_id": "C02543", "inchi": "InChI=1S/C3H6O6S/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H,6,7,8)", "name": "Glycerone sulfate", "names": [ "Dihydroxyacetone sulfate", "Glycerone sulfate" ] }, { "compound_id": "C02545", "inchi": null, "name": "Glycosaminoglycan", "names": [ "Glycosaminoglycan" ] }, { "compound_id": "C02546", "inchi": null, "name": "Glycyl amino acid", "names": [ "Glycyl amino acid" ] }, { "compound_id": "C02548", "inchi": "InChI=1S/C10H12N2/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,12H,5-6,11H2", "name": "2-(2-Aminoethyl)indole", "names": [ "2-(2-Aminoethyl)indole" ] }, { "compound_id": "C02549", "inchi": "InChI=1S/C20H22O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-8,13,21-24,26H,5-6,9H2,1-2H3", "name": "Kievitone hydrate", "names": [ "Kievitone hydrate" ] }, { "compound_id": "C02553", "inchi": null, "name": "L-Seryl-tRNA(Ser)", "names": [ "L-Seryl-tRNA(Ser)", "L-seryl-tRNA-ser", "l-seryl-trna-ser" ] }, { "compound_id": "C02554", "inchi": null, "name": "L-Valyl-tRNA(Val)", "names": [ "L-Valyl-tRNA(Val)", "l-valyl-trna-val" ] }, { "compound_id": "C02555", "inchi": "InChI=1S/C26H21N3O5S/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)34-35(31,32)33)16-19-9-5-2-6-10-19/h1-14,17,30H,15-16H2,(H,31,32,33)", "name": "Luciferyl sulfate", "names": [ "Luciferyl sulfate" ] }, { "compound_id": "C02557", "inchi": "InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18?,22-/m1/s1", "name": "Methylmalonyl-CoA", "names": [ "2-Methylmalonyl-CoA", "Methylmalonyl coenzyme A", "Methylmalonyl-CoA" ] }, { "compound_id": "C02560", "inchi": "InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3", "name": "N-Acetylimidazole", "names": [ "1-Acetyl-1H-imidazole", "N-Acetylimidazole" ] }, { "compound_id": "C02562", "inchi": null, "name": "N-Acyl-L-arginine", "names": [ "N-Acyl-L-arginine" ] }, { "compound_id": "C02564", "inchi": "InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+", "name": "N-Feruloylglycine", "names": [ "N-Feruloylglycine", "N-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]glycine" ] }, { "compound_id": "C02565", "inchi": "InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)", "name": "N-Methylhydantoin", "names": [ "N-Methylhydantoin", "N-Methylimidazolidine-2,4-dione" ] }, { "compound_id": "C02567", "inchi": "InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)", "name": "N1-Acetylspermine", "names": [ "N1-Acetylspermine" ] }, { "compound_id": "C02569", "inchi": "InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7-", "name": "Neryl diphosphate", "names": [ "Neryl diphosphate", "Neryl pyrophosphate" ] }, { "compound_id": "C02571", "inchi": "InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1/t8-/m1/s1", "name": "O-Acetylcarnitine", "names": [ "O-Acetyl-L-carnitine", "O-Acetylcarnitine", "l-acetylcarnitine" ] }, { "compound_id": "C02572", "inchi": "InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1", "name": "5-O-Feruloylquinic acid", "names": [ "3-O-Feruloylquinic acid", "5-O-Feruloylquinic acid", "O-Feruloylquinate" ] }, { "compound_id": "C02574", "inchi": "InChI=1S/C25H44N13O13P/c26-3-1-2-10(27)4-16(40)32-12-6-30-23(46)18(11-5-17(41)37-24(28)36-11)38-20(43)13(7-31-25(29)47)33-21(44)14(8-39)34-22(45)15(35-19(12)42)9-51-52(48,49)50/h7,10-12,14-15,17-18,39,41H,1-6,8-9,26-27H2,(H,30,46)(H,32,40)(H,33,44)(H,34,45)(H,35,42)(H,38,43)(H3,28,36,37)(H3,29,31,47)(H2,48,49,50)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1", "name": "O-Phosphoviomycin", "names": [ "O-Phosphoviomycin" ] }, { "compound_id": "C02575", "inchi": "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H", "name": "Pentachlorophenol", "names": [ "PCP", "Pentachlorophenol" ] }, { "compound_id": "C02576", "inchi": "InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3", "name": "Perillyl aldehyde", "names": [ "Perillaldehyde", "Perillyl aldehyde" ] }, { "compound_id": "C02577", "inchi": "InChI=1S/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-58-20(38)13-49-17-6-4-3-5-7-17)14-51-57(47,48)54-56(45,46)50-12-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24?,28-/m1/s1", "name": "Phenoxyacetyl-CoA", "names": [ "Phenoxyacetyl-CoA" ] }, { "compound_id": "C02578", "inchi": "InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1", "name": "Phenylgalactoside", "names": [ "Phenylgalactoside" ] }, { "compound_id": "C02579", "inchi": null, "name": "Polygalacturonide", "names": [ "Polygalacturonide" ] }, { "compound_id": "C02581", "inchi": "InChI=1S/C8H18N4O/c1-2-7(13)11-5-3-4-6-12-8(9)10/h2-6H2,1H3,(H,11,13)(H4,9,10,12)", "name": "Propanoylagmatine", "names": [ "Propanoylagmatine", "Propionylagmatine" ] }, { "compound_id": "C02582", "inchi": null, "name": "Protein disulfide", "names": [ "Protein disulfide" ] }, { "compound_id": "C02583", "inchi": null, "name": "Protein glutamine", "names": [ "Protein L-glutamine", "Protein glutamine" ] }, { "compound_id": "C02587", "inchi": "InChI=1S/C9H11N5O2/c1-4(15)5-2-3-11-7-6(12-5)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)", "name": "Pyrimidodiazepine", "names": [ "Pyrimidodiazepine" ] }, { "compound_id": "C02588", "inchi": "InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+", "name": "Retinyl palmitate", "names": [ "Retinol palmitate", "Retinyl palmitate", "Vitamin A palmitate", "all-trans-Retinyl palmitate" ] }, { "compound_id": "C02589", "inchi": null, "name": "S-Acylglutathione", "names": [ "S-Acylglutathione" ] }, { "compound_id": "C02590", "inchi": "InChI=1S/C18H24O4S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H,19,20,21)", "name": "Steroid O-sulfate", "names": [ "Phenolic steroid O-sulfate", "Steroid O-sulfate" ] }, { "compound_id": "C02591", "inchi": "InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1", "name": "Sucrose 6'-phosphate", "names": [ "Sucrose 6'-phosphate", "Sucrose 6F-phosphate" ] }, { "compound_id": "C02592", "inchi": "InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1", "name": "Taurolithocholate", "names": [ "Taurolithocholate", "Taurolithocholic acid" ] }, { "compound_id": "C02593", "inchi": "InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30?,34-/m1/s1", "name": "Tetradecanoyl-CoA", "names": [ "Myristoyl-CoA", "Tetradecanoyl-CoA" ] }, { "compound_id": "C02595", "inchi": "InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)", "name": "Thien-2-ylacetate", "names": [ "2-Thienylacetic acid", "2-Thiopheneacetic acid", "Thien-2-ylacetate" ] }, { "compound_id": "C02596", "inchi": "InChI=1S/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3", "name": "Tolylacetonitrile", "names": [ "2-Methylbezeneacetonitrile", "Tolylacetonitrile", "o-Methylbenzyl cyanide", "o-Tolylacetonitrile" ] }, { "compound_id": "C02601", "inchi": null, "name": "[Pyruvate kinase]", "names": [ "[Pyruvate kinase]" ] }, { "compound_id": "C02603", "inchi": null, "name": "alpha-D-Mannoside", "names": [ "alpha-D-Mannoside" ] }, { "compound_id": "C02604", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1", "name": "alpha-L-Arabinose", "names": [ "alpha-L-Arabinose" ] }, { "compound_id": "C02605", "inchi": null, "name": "beta-L-Rhamnoside", "names": [ "beta-L-Rhamnoside" ] }, { "compound_id": "C02607", "inchi": null, "name": "kappa-Carrageenan", "names": [ "kappa-Carrageenan" ] }, { "compound_id": "C02611", "inchi": "InChI=1S/C33H44N7O19P3S/c1-33(2,28(44)31(45)36-10-9-23(41)35-11-12-63-24(42)6-4-3-5-19-7-8-20-21(13-19)54-18-53-20)15-56-62(51,52)59-61(49,50)55-14-22-27(58-60(46,47)48)26(43)32(57-22)40-17-39-25-29(34)37-16-38-30(25)40/h3-8,13,16-17,22,26-28,32,43-44H,9-12,14-15,18H2,1-2H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b5-3+,6-4+/t22-,26-,27-,28?,32-/m1/s1", "name": "(E,E)-Piperoyl-CoA", "names": [ "(E,E)-Piperoyl-CoA" ] }, { "compound_id": "C02612", "inchi": "InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m1/s1", "name": "(R)-2-Methylmalate", "names": [ "(2R)-2-Hydroxy-2-methylbutanedioate", "(3R)-Citramalate", "(3R)-Citramalic acid", "(3R)-alpha-Hydroxypyrotartaric acid", "(R)-2-Methylmalate", "(R)-2-Methylmalic acid", "D-Citramalate", "D-Citramalic acid", "D-alpha-Hydroxypyrotartaric acid" ] }, { "compound_id": "C02614", "inchi": "InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m0/s1", "name": "(S)-2-Methylmalate", "names": [ "(2S)-2-Hydroxy-2-methylbutanedioate", "(3S)-Citramalate", "(3S)-Citramalic acid", "(3S)-alpha-Hydroxypyrotartaric acid", "(S)-2-Hydroxy-2-methylsuccinic acid", "(S)-2-Methylmalate", "(S)-2-Methylmalic acid", "(S)-Citramalic acid", "L-Citramalate", "L-Citramalic acid", "L-alpha-Hydroxypyrotartaric acid", "S-Citramalate", "S-Citramalic acid", "S-alpha-Hydroxypyrotartaric acid" ] }, { "compound_id": "C02615", "inchi": "InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m1/s1", "name": "(S)-Mandelonitrile", "names": [ "(S)-Benzaldehyde cyanohydrin", "(S)-Mandelonitrile" ] }, { "compound_id": "C02616", "inchi": null, "name": "1,3-alpha-D-Glucan", "names": [ "1,3-alpha-D-Glucan", "[alpha-D-Glucosyl-(1,3)]n", "[alpha-D-Glucosyl-(1,3)]n+1" ] }, { "compound_id": "C02617", "inchi": "InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H", "name": "1,4-Naphthoquinone", "names": [ "1,4-Naphthalenedione", "1,4-Naphthoquinone" ] }, { "compound_id": "C02621", "inchi": "InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10?,11?,12-,13+,14-/m0/s1", "name": "13-Hydroxylupanine", "names": [ "(+)-13alpha-Hydroxylupanine", "13-Hydroxylupanine", "13-Hydroxylupinine" ] }, { "compound_id": "C02623", "inchi": null, "name": "2,2-Dialkylglycine", "names": [ "2,2-Dialkylglycine" ] }, { "compound_id": "C02625", "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H", "name": "2,4-Dichlorophenol", "names": [ "2,4-Dichlorophenol" ] }, { "compound_id": "C02627", "inchi": "InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6-", "name": "2-Deoxystreptamine", "names": [ "2-Deoxystreptamine" ] }, { "compound_id": "C02628", "inchi": "InChI=1S/C8H18N6O3/c9-7(10)13-2-1-3(14-8(11)12)5(16)6(17)4(2)15/h2-6,15-17H,1H2,(H4,9,10,13)(H4,11,12,14)/t2-,3+,4+,5-,6-", "name": "2-Deoxystreptidine", "names": [ "2-Deoxystreptidine", "N,N'-Bis(aminoiminomethyl)-2-deoxy-streptamine" ] }, { "compound_id": "C02630", "inchi": "InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)", "name": "2-Hydroxyglutarate", "names": [ "2-Hydroxyglutarate", "alpha-Hydroxyglutarate" ] }, { "compound_id": "C02631", "inchi": "InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)/b5-3+", "name": "2-Isopropylmaleate", "names": [ "2-Isopropylmaleate", "beta-Isopropylmaleate" ] }, { "compound_id": "C02632", "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)", "name": "2-Methylpropanoate", "names": [ "2-Methylpropanoate", "2-Methylpropanoic acid", "Dimethylacetic acid", "Isobutanoate", "Isobutyrate", "Isobutyric acid" ] }, { "compound_id": "C02633", "inchi": "InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15?,17-,19+,20-,21-,22?,24+,25+,26?,27+/m0/s1", "name": "20-Hydroxyecdysone", "names": [ "20-Hydroxyecdysone", "Crustecdysone", "Ecdysterone" ] }, { "compound_id": "C02634", "inchi": "InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1", "name": "3-Chloro-D-alanine", "names": [ "3-Chloro-D-alanine" ] }, { "compound_id": "C02635", "inchi": "InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1", "name": "3-Chloro-L-alanine", "names": [ "3-Chloro-L-alanine" ] }, { "compound_id": "C02636", "inchi": "InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3/p+1", "name": "3-Dehydrocarnitine", "names": [ "3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium", "3-Dehydrocarnitine" ] }, { "compound_id": "C02637", "inchi": "InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1", "name": "3-Dehydroshikimate", "names": [ "3-Dehydroshikimate" ] }, { "compound_id": "C02638", "inchi": "InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1", "name": "3-Fluoro-D-alanine", "names": [ "(S)-3-Fluoroalanine", "3-Fluoro-D-alanine" ] }, { "compound_id": "C02639", "inchi": "InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(9)8(7)10/h2-5H,1H3,(H,9,10)", "name": "3-Methoxytropolone", "names": [ "3-Methoxytropolone" ] }, { "compound_id": "C02640", "inchi": "InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3", "name": "3-Methylbutanamine", "names": [ "3-Methylbutanamine", "Isoamylamine", "Isopentylamine" ] }, { "compound_id": "C02642", "inchi": "InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)", "name": "3-Ureidopropionate", "names": [ "3-Ureidopropanoate", "3-Ureidopropionate", "3-ureidopropanoic acid", "N-Carbamoyl-beta-alanine", "beta-Ureidopropionic acid" ] }, { "compound_id": "C02645", "inchi": "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(23-18)16-17-20(21)22/h6-7,9-14,18-19H,2-5,8,15-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,14-13+/t18-,19-/m1/s1", "name": "4,5-Leukotriene A4", "names": [ "4,5-Leukotriene A4" ] }, { "compound_id": "C02646", "inchi": "InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+", "name": "4-Coumaryl alcohol", "names": [ "4-Coumaryl alcohol", "4-Hydroxycinnamyl alcohol", "p-Coumaryl alcohol" ] }, { "compound_id": "C02647", "inchi": "InChI=1S/C5H11N3O/c6-5(7)8-3-1-2-4-9/h4H,1-3H2,(H4,6,7,8)", "name": "4-Guanidinobutanal", "names": [ "4-Guanidinobutanal" ] }, { "compound_id": "C02648", "inchi": "InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2", "name": "4-Hydroxy-2-butynal", "names": [ "4-Hydroxy-2-butynal", "4-Hydroxybut-2-ynal" ] }, { "compound_id": "C02652", "inchi": "InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4,6,8,10H,2H2,(H,11,12)/t4-,6-/m1/s1", "name": "5-Dehydroshikimate", "names": [ "5-Dehydroshikimate" ] }, { "compound_id": "C02654", "inchi": null, "name": "5-Substituted dCMP", "names": [ "5-Substituted dCMP" ] }, { "compound_id": "C02655", "inchi": "InChI=1S/C8H14O7/c1-3(9)14-2-4-5(10)6(11)7(12)8(13)15-4/h4-8,10-13H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1", "name": "6-Acetyl-D-glucose", "names": [ "6-Acetyl-D-glucose" ] }, { "compound_id": "C02656", "inchi": "InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)", "name": "6-Carboxyhexanoate", "names": [ "6-Carboxyhexanoate", "Heptanedioic acid", "Pimelate", "Pimelic acid" ] }, { "compound_id": "C02657", "inchi": "InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)", "name": "6-Methylsalicylate", "names": [ "2-Hydroxy-6-methylbenzoic acid", "6-Methyl-2-hydroxybenzenecarboxylate", "6-Methylsalicylate", "6-Methylsalicylic acid" ] }, { "compound_id": "C02658", "inchi": null, "name": "Aldoxime", "names": [ "Aldoxime", "Aliphatic aldoxime" ] }, { "compound_id": "C02659", "inchi": "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3", "name": "Acetone cyanohydrin", "names": [ "2-Hydroxy-2-methylpropanenitrile", "2-Hydroxyisobutyronitrile", "2-Methyllactonitrile", "Acetone cyanhydrin", "Acetone cyanohydrin", "alpha-Hydroxyisobutyronitrile" ] }, { "compound_id": "C02660", "inchi": "InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2", "name": "Benzyl thiocyanate", "names": [ "Benzyl thiocyanate" ] }, { "compound_id": "C02661", "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2", "name": "Bromochloromethane", "names": [ "Bromochloromethane", "Methylene chlorobromide" ] }, { "compound_id": "C02666", "inchi": "InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+", "name": "Coniferyl aldehyde", "names": [ "4-Hydroxy-3-methoxycinnamaldehyde", "Coniferaldehyde", "Coniferyl aldehyde", "Ferulaldehyde" ] }, { "compound_id": "C02669", "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1", "name": "D-Galactono-1,5-lactone", "names": [ "D-Galactono-1,5-lactone" ] }, { "compound_id": "C02670", "inchi": "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1", "name": "D-Glucuronolactone", "names": [ "D-Glucurone", "D-Glucurono-3,6-lactone", "D-Glucuronolactone", "Glucurone" ] }, { "compound_id": "C02671", "inchi": null, "name": "D-Glutamyl-peptide", "names": [ "D-Glutamyl-peptide", "gamma-D-Glutamyl-peptide" ] }, { "compound_id": "C02672", "inchi": null, "name": "D-Hexose phosphate", "names": [ "D-Hexose phosphate" ] }, { "compound_id": "C02673", "inchi": "InChI=1S/C23H30N2O4/c1-5-21-9-6-11-25-12-10-22(18(21)25)16-8-7-15(28-3)13-17(16)24(2)19(22)23(27,14-21)20(26)29-4/h6-9,13,18-19,27H,5,10-12,14H2,1-4H3/t18-,19+,21-,22+,23+/m0/s1", "name": "Desacetoxyvindoline", "names": [ "16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine", "Deacetoxyvindoline", "Desacetoxyvindoline" ] }, { "compound_id": "C02674", "inchi": "InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2/t3-,4+/m0/s1", "name": "Deoxyribonolactone", "names": [ "2-Deoxyribonolactone", "Deoxyribonolactone" ] }, { "compound_id": "C02675", "inchi": "InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-7,12,17-18H,8H2,1H3", "name": "Dihydrobiochanin A", "names": [ "2,3-Dihydrobiochanin A", "Dihydrobiochanin A" ] }, { "compound_id": "C02677", "inchi": "InChI=1S/C2H6Te/c1-3-2/h1-2H3", "name": "Dimethyl telluride", "names": [ "Dimethyl telluride" ] }, { "compound_id": "C02678", "inchi": "InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)", "name": "Dodecanedioic acid", "names": [ "Dodecanedioic acid" ] }, { "compound_id": "C02679", "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)", "name": "Dodecanoic acid", "names": [ "1-Dodecanoic acid", "1-dodecanoic acid", "Dodecanoate", "Dodecanoic acid", "Dodecylcarboxylate", "Lauric acid" ] }, { "compound_id": "C02681", "inchi": "InChI=1S/C43H74O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(47)50-38-28-34-36(45)27-33-32(41(34,5)29-37(38)46)21-25-42(6)31(22-26-43(33,42)49)30(2)35(44)23-24-40(3,4)48/h27,30-32,34-35,37-38,44,46,48-49H,7-26,28-29H2,1-6H3/t30-,31+,32?,34-,35?,37-,38+,41+,42+,43+/m0/s1", "name": "Ecdysone palmitate", "names": [ "Ecdysone 3-palmitate", "Ecdysone palmitate" ] }, { "compound_id": "C02682", "inchi": null, "name": "Ferricytochrome c3", "names": [ "Ferricytochrome c3" ] }, { "compound_id": "C02683", "inchi": null, "name": "Ferrileghemoglobin", "names": [ "Ferrileghemoglobin" ] }, { "compound_id": "C02684", "inchi": null, "name": "Ferrocytochrome c3", "names": [ "Ferrocytochrome c3", "Reduced cytochrome c3" ] }, { "compound_id": "C02685", "inchi": null, "name": "Ferroleghemoglobin", "names": [ "Ferroleghemoglobin" ] }, { "compound_id": "C02686", "inchi": null, "name": "Galactosylceramide", "names": [ "Cerebroside", "D-Galactosyl-N-acylsphingosine", "D-Galactosylceramide", "Galactocerebroside", "Galactosylceramide" ] }, { "compound_id": "C02687", "inchi": null, "name": "alpha-D-Glucosylglycogenin", "names": [ "alpha-D-Glucosylglycogenin" ] }, { "compound_id": "C02688", "inchi": null, "name": "Glycerol monoester", "names": [ "Glycerol monoester" ] }, { "compound_id": "C02691", "inchi": "InChI=1S/C11H13N4/c1-9-13-7-10(11(12)14-9)8-15-5-3-2-4-6-15/h2-7H,8H2,1H3,(H2,12,13,14)/q+1", "name": "Heteropyrithiamine", "names": [ "Heteropyrithiamine" ] }, { "compound_id": "C02692", "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3?,4?,5?/m1/s1", "name": "Hexose-1,5-lactone", "names": [ "Hexose-1,5-lactone" ] }, { "compound_id": "C02693", "inchi": "InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)", "name": "(Indol-3-yl)acetamide", "names": [ "(Indol-3-yl)acetamide", "Indole-3-acetamide" ] }, { "compound_id": "C02695", "inchi": null, "name": "Isomaltosaccharide", "names": [ "Isomaltosaccharide" ] }, { "compound_id": "C02699", "inchi": null, "name": "L-Citrulline ester", "names": [ "L-Citrulline ester" ] }, { "compound_id": "C02700", "inchi": "InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1", "name": "L-Formylkynurenine", "names": [ "L-Formylkynurenine", "N-Formyl-L-kynurenine", "N-Formylkynurenine" ] }, { "compound_id": "C02702", "inchi": null, "name": "L-Prolyl-tRNA(Pro)", "names": [ "L-Prolyl-tRNA(Pro)" ] }, { "compound_id": "C02703", "inchi": "InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1", "name": "L-Serine O-sulfate", "names": [ "L-Serine O-sulfate" ] }, { "compound_id": "C02704", "inchi": "InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)", "name": "Monomethyl sulfate", "names": [ "Methyl sulfate", "Monomethyl sulfate" ] }, { "compound_id": "C02705", "inchi": null, "name": "Mucus glycoprotein", "names": [ "Mucus glycoprotein" ] }, { "compound_id": "C02706", "inchi": null, "name": "Myelin proteolipid", "names": [ "Myelin proteolipid" ] }, { "compound_id": "C02707", "inchi": null, "name": "Myosin heavy chain", "names": [ "Myosin heavy chain" ] }, { "compound_id": "C02709", "inchi": "InChI=1S/C8H9NO2/c1-7(10)11-9-8-5-3-2-4-6-8/h2-6,9H,1H3", "name": "N-(Acetyloxy)benzenamine", "names": [ "N-(Acetyloxy)benzenamine" ] }, { "compound_id": "C02710", "inchi": "InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1", "name": "N-Acetyl-L-leucine", "names": [ "N-Acetyl-L-leucine" ] }, { "compound_id": "C02711", "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)", "name": "N-Acetylhexosamine", "names": [ "N-Acetylhexosamine" ] }, { "compound_id": "C02712", "inchi": "InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1", "name": "N-Acetylmethionine", "names": [ "N-Acetyl-L-methionine", "N-Acetylmethionine" ] }, { "compound_id": "C02713", "inchi": "InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4?,6-,7-,8-,9-,11?/m1/s1", "name": "N-Acetylmuramate", "names": [ "N-Acetyl-D-muramoate", "N-Acetylmuramate", "N-Acetylmuramic acid" ] }, { "compound_id": "C02714", "inchi": "InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)", "name": "N-Acetylputrescine", "names": [ "N-Acetylputrescine" ] }, { "compound_id": "C02715", "inchi": null, "name": "N-Acyl-L-aspartate", "names": [ "N-Acyl-L-aspartate" ] }, { "compound_id": "C02716", "inchi": null, "name": "N-Acyl-L-glutamine", "names": [ "N-Acyl-L-glutamine" ] }, { "compound_id": "C02717", "inchi": "InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+", "name": "N-Feruloyltyramine", "names": [ "N-Feruloyltyramine", "trans-N-Feruloyltyramine" ] }, { "compound_id": "C02718", "inchi": "InChI=1S/C3H6N2O2/c4-2-5-1-3(6)7/h2H,1H2,(H2,4,5)(H,6,7)", "name": "N-Formiminoglycine", "names": [ "Formiminoglycine", "N-Formimidoylglycine", "N-Formiminoglycine" ] }, { "compound_id": "C02720", "inchi": "InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H", "name": "Hydroxylaminobenzene", "names": [ "(Hydroxyamino)benzene", "Hydroxylaminobenzene" ] }, { "compound_id": "C02721", "inchi": "InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1", "name": "N-Methyl-L-alanine", "names": [ "N-Methyl-L-alanine" ] }, { "compound_id": "C02722", "inchi": "InChI=1S/C7H15NO/c1-3-4-5-6-7(9)8-2/h3-6H2,1-2H3,(H,8,9)", "name": "N-Methylhexanamide", "names": [ "N-Methylhexanamide" ] }, { "compound_id": "C02723", "inchi": "InChI=1S/C5H14N2/c1-7-5-3-2-4-6/h7H,2-6H2,1H3", "name": "N-Methylputrescine", "names": [ "N-Methylputrescine" ] }, { "compound_id": "C02724", "inchi": "InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1", "name": "N-Methylpyridinium", "names": [ "N-Methylpyridinium" ] }, { "compound_id": "C02725", "inchi": "InChI=1S/C25H48N6O14/c1-6(33)31-8-2-7(28)14(34)22(20(8)43-23-12(29)17(37)15(35)9(3-26)40-23)45-25-19(39)21(11(5-32)42-25)44-24-13(30)18(38)16(36)10(4-27)41-24/h7-25,32,34-39H,2-5,26-30H2,1H3,(H,31,33)/t7?,8?,9?,10?,11-,12?,13?,14?,15?,16?,17?,18?,19-,20?,21-,22-,23?,24-,25+/m1/s1", "name": "N3'-Acetylneomycin", "names": [ "N3'-Acetylneomycin" ] }, { "compound_id": "C02726", "inchi": "InChI=1S/C5H15N4O3P/c6-5(7)8-3-1-2-4-9-13(10,11)12/h1-4H2,(H4,6,7,8)(H3,9,10,11,12)", "name": "N4-Phosphoagmatine", "names": [ "N4-Phosphoagmatine" ] }, { "compound_id": "C02727", "inchi": "InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1", "name": "N6-Acetyl-L-lysine", "names": [ "N6-Acetyl-L-lysine" ] }, { "compound_id": "C02728", "inchi": "InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1", "name": "N6-Methyl-L-lysine", "names": [ "N6-Methyl-L-lysine" ] }, { "compound_id": "C02729", "inchi": null, "name": "O-Phosphoprotamine", "names": [ "O-Phosphoprotamine" ] }, { "compound_id": "C02730", "inchi": "InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)", "name": "2-Succinylbenzoate", "names": [ "2-Succinylbenzoate", "Succinylbenzoate", "o-Succinylbenzoate" ] }, { "compound_id": "C02732", "inchi": null, "name": "Peptide tryptophan", "names": [ "Peptide tryptophan" ] }, { "compound_id": "C02733", "inchi": null, "name": "Peptidyl-L-alanine", "names": [ "Peptidyl-L-alanine" ] }, { "compound_id": "C02734", "inchi": "InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)", "name": "Phenolic phosphate", "names": [ "Phenolic phosphate", "Phenylphosphate", "phenyl phosphate" ] }, { "compound_id": "C02735", "inchi": "InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2", "name": "Phenylethanolamine", "names": [ "2-Amino-1-phenylethanol", "Phenylethanolamine" ] }, { "compound_id": "C02736", "inchi": null, "name": "Phosphatidyl ester", "names": [ "Phosphatidyl ester" ] }, { "compound_id": "C02737", "inchi": null, "name": "Phosphatidylserine", "names": [ "1,2-Diacyl-sn-glycerol 3-phospho-L-serine", "3-O-sn-Phosphatidyl-L-serine", "L-1-Phosphatidylserine", "O3-Phosphatidyl-L-serine", "Phosphatidyl-L-serine", "Phosphatidylserine" ] }, { "compound_id": "C02739", "inchi": "InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", "name": "1-(5-Phospho-D-ribosyl)-ATP", "names": [ "1-(5-Phospho-D-ribosyl)-ATP", "1-(5-Phosphoribosyl)-ATP", "N1-(5-Phospho-D-ribosyl)-ATP", "Phosphoribosyl-ATP" ] }, { "compound_id": "C02740", "inchi": "InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1", "name": "Photinus luciferin", "names": [ "(S)-4,5-Dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxylic acid", "(S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid", "Firefly luciferin", "Photinus luciferin" ] }, { "compound_id": "C02741", "inchi": "InChI=1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", "name": "Phosphoribosyl-AMP", "names": [ "1-(5-Phosphoribosyl)-AMP", "N1-(5-Phospho-D-ribosyl)-AMP", "Phosphoribosyl-AMP" ] }, { "compound_id": "C02743", "inchi": null, "name": "Protein L-cysteine", "names": [ "Protein L-cysteine" ] }, { "compound_id": "C02744", "inchi": "InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1", "name": "Psychosine sulfate", "names": [ "Psychosine sulfate" ] }, { "compound_id": "C02745", "inchi": null, "name": "Reduced flavodoxin", "names": [ "Reduced flavodoxin" ] }, { "compound_id": "C02747", "inchi": "InChI=1S/C18H18O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,10-11,21-23H,1-4H3/t10?,11-,18?/m1/s1", "name": "Reduced-(S)-usnate", "names": [ "Reduced-(S)-usnate" ] }, { "compound_id": "C02749", "inchi": null, "name": "S-Alkyl-L-cysteine", "names": [ "S-Alkyl-L-cysteine" ] }, { "compound_id": "C02750", "inchi": "InChI=1S/C14H14O9/c1-21-8-5-7(6-9(22-2)11(8)16)3-4-10(15)23-12(13(17)18)14(19)20/h3-6,12,16H,1-2H3,(H,17,18)(H,19,20)/b4-3+", "name": "Sinapoyltartronate", "names": [ "Sinapoyltartronate" ] }, { "compound_id": "C02752", "inchi": "InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3", "name": "Triacetate lactone", "names": [ "4-Hydroxy-6-methyl-2-pyrone", "Triacetate lactone" ] }, { "compound_id": "C02753", "inchi": "InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1", "name": "D-Xylono-1,4-lactone", "names": [ "D-Xylono-1,4-lactone" ] }, { "compound_id": "C02755", "inchi": "InChI=1S/C18H29N5O10S2/c19-8(17(30)31)1-3-12(24)22-11(7-35)16(29)23-9(18(32)33)2-4-13(25)21-10(6-34)15(28)20-5-14(26)27/h8-11,34-35H,1-7,19H2,(H,20,28)(H,21,25)(H,22,24)(H,23,29)(H,26,27)(H,30,31)(H,32,33)/t8-,9-,10-,11-/m0/s1", "name": "[Glu(-Cys)]n+1-Gly", "names": [ "[Glu(-Cys)]n+1-Gly" ] }, { "compound_id": "C02756", "inchi": null, "name": "[Xanthine oxidase]", "names": [ "[Xanthine oxidase]" ] }, { "compound_id": "C02757", "inchi": null, "name": "alpha-L-Rhamnoside", "names": [ "alpha-L-Rhamnoside" ] }, { "compound_id": "C02758", "inchi": null, "name": "alpha-Melanotropin", "names": [ "alpha-Intermedin", "alpha-MSH", "alpha-Melanocyte-stimulating hormone", "alpha-Melanotropin" ] }, { "compound_id": "C02759", "inchi": "InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3/t6-,7-,8?,10?/m0/s1", "name": "alpha-Pinene-oxide", "names": [ "alpha-Pinene-oxide" ] }, { "compound_id": "C02761", "inchi": null, "name": "beta-L-Arabinoside", "names": [ "beta-L-Arabinoside" ] }, { "compound_id": "C02762", "inchi": null, "name": "beta-Limit dextrin", "names": [ "beta-Limit dextrin" ] }, { "compound_id": "C02763", "inchi": "InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6-", "name": "2-Hydroxy-3-phenylpropenoate", "names": [ "2-Hydroxy-3-phenylpropenoate", "enol-Phenylpyruvate", "enol-Phenylpyruvic acid", "enol-alpha-Ketohydrocinnamic acid" ] }, { "compound_id": "C02764", "inchi": null, "name": "tRNA pseudouridine", "names": [ "tRNA pseudouridine" ] }, { "compound_id": "C02765", "inchi": "InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1", "name": "(+)-Pseudoephedrine", "names": [ "(+)-Pseudoephedrine", "Pseudoephedrine" ] }, { "compound_id": "C02766", "inchi": "InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)", "name": "Ureidoglycolic acid", "names": [ "Ureidoglycolate", "Ureidoglycolic acid" ] }, { "compound_id": "C02768", "inchi": "InChI=1S/C6H16O11P2/c7-1-5(8)2-16-19(13,14)17-4-6(9)3-15-18(10,11)12/h5-9H,1-4H2,(H,13,14)(H2,10,11,12)", "name": "(Glycerophosphate)n", "names": [ "(Glycerophosphate)n", "(Glycerophosphate)n+1", "Poly(glycerol phosphate)" ] }, { "compound_id": "C02771", "inchi": "InChI=1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8,10,13H,4-7H2,1-3H3/t8-,10-,13-,15-/m0/s1", "name": "1,2-Dihydrosantonin", "names": [ "1,2-Dihydro-alpha-santonin", "1,2-Dihydrosantonin" ] }, { "compound_id": "C02773", "inchi": null, "name": "1-Alkyl-sn-glycerol", "names": [ "1-Alkyl-sn-glycerol", "1-O-Alkyl-sn-glycerol" ] }, { "compound_id": "C02774", "inchi": "InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)", "name": "10-Hydroxydecanoic acid", "names": [ "10-Hydroxydecanoate", "10-Hydroxydecanoic acid" ] }, { "compound_id": "C02775", "inchi": "InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,9-11H", "name": "2,3-Dihydroxyindole", "names": [ "2,3-Dihydroxyindole", "Dihydroxyindole" ] }, { "compound_id": "C02777", "inchi": "InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)", "name": "2,5-Dioxopiperazine", "names": [ "2,5-Diazacyclohexane-1,4-dione", "2,5-Dioxopiperazine", "2,5-Piperazinedione", "Diketopiperazine", "Glycine anhydride" ] }, { "compound_id": "C02778", "inchi": "InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)", "name": "2-Acetamidofluorene", "names": [ "2-Acetamidofluorene", "N-2-Fluorenylacetamide" ] }, { "compound_id": "C02779", "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,6-9,11H,1H2/t2-,3-,4+,6-/m1/s1", "name": "2-Dehydro-D-glucose", "names": [ "2-Dehydro-D-glucose" ] }, { "compound_id": "C02780", "inchi": "InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13)/t3-,4+/m1/s1", "name": "2,5-Didehydro-D-gluconate", "names": [ "2,5-Didehydro-D-gluconate", "2,5-Diketogluconic acid", "2,5-diketo-d-gluconate" ] }, { "compound_id": "C02781", "inchi": "InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6-/m1/s1", "name": "2-Deoxy-D-galactose", "names": [ "2-Deoxy-D-galactose" ] }, { "compound_id": "C02782", "inchi": "InChI=1S/C6H12O6/c7-2-4(9)6(12)3(8)1-5(10)11/h3-4,6-9,12H,1-2H2,(H,10,11)/t3-,4-,6+/m1/s1", "name": "2-Deoxy-D-gluconate", "names": [ "2-Deoxy-D-gluconate" ] }, { "compound_id": "C02783", "inchi": "InChI=1S/C5H10O4/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5+/m1/s1", "name": "2-Deoxy-L-arabinose", "names": [ "2-Deoxy-L-arabinose" ] }, { "compound_id": "C02784", "inchi": "InChI=1S/C28H39FN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", "name": "2-Fluorobenzoyl-CoA", "names": [ "2-Fluorobenzoyl-CoA" ] }, { "compound_id": "C02785", "inchi": "InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23-,24-,26?,31?/m1/s1", "name": "3-Hydroxy-vitamin K", "names": [ "3-Hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinone", "3-Hydroxy-vitamin K" ] }, { "compound_id": "C02787", "inchi": "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3", "name": "2-Methylpropanamine", "names": [ "2-Methyl-1-propanamine", "2-Methylpropanamine", "Isobutylamine" ] }, { "compound_id": "C02789", "inchi": null, "name": "3'-Extranucleotides", "names": [ "3'-Extranucleotides" ] }, { "compound_id": "C02790", "inchi": null, "name": "3'-Hydroxyflavonoid", "names": [ "3'-Hydroxyflavonoid" ] }, { "compound_id": "C02791", "inchi": "InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2", "name": "3,4-Dichloroaniline", "names": [ "3,4-Dichloroaniline" ] }, { "compound_id": "C02792", "inchi": "InChI=1S/C28H39FN7O17P3S/c1-28(2,22(39)25(40)32-7-6-18(37)31-8-9-57-27(41)15-4-3-5-16(29)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-5,10,13-14,17,20-22,26,38-39H,6-9,11-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", "name": "3-Fluorobenzoyl-CoA", "names": [ "3-Fluorobenzoyl-CoA" ] }, { "compound_id": "C02793", "inchi": "InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-28-29(32)26-18-7-8-19-27(26)30(33)31(28,6)34/h7-8,18-20,22-24,28,34H,9-17,21H2,1-6H3/b25-20+/t23-,24-,28?,31?/m1/s1", "name": "2-Hydroxy-vitamin K", "names": [ "2-Hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinone", "2-Hydroxy-vitamin K" ] }, { "compound_id": "C02794", "inchi": "InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)", "name": "3-Hydroxykynurenine", "names": [ "3-Hydroxy-DL-kynurenine", "3-Hydroxykynurenine" ] }, { "compound_id": "C02796", "inchi": "InChI=1S/C9H7NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-5H,1H2,(H,10,11)", "name": "3-Methyleneoxindole", "names": [ "3-Methyleneoxindole" ] }, { "compound_id": "C02797", "inchi": "InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15?,16?,17?,18?,19?/m1/s1", "name": "3-Oxo-5beta-steroid", "names": [ "3-Oxo-5beta-steroid" ] }, { "compound_id": "C02798", "inchi": "InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)", "name": "3-Phosphonopyruvate", "names": [ "3-Phosphonopyruvate" ] }, { "compound_id": "C02799", "inchi": "InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2/t11?,12?,13-,14?,15?,16?,17?/m0/s1", "name": "3beta-Hydroxysterol", "names": [ "3beta-Hydroxysterol" ] }, { "compound_id": "C02800", "inchi": "InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)", "name": "4,5-Dioxopentanoate", "names": [ "4,5-Dioxopentanoate", "4-Oxoglutarate semialdehyde" ] }, { "compound_id": "C02801", "inchi": "InChI=1S/C25H43N8O17P3S/c1-25(2,20(37)23(38)29-7-5-15(34)28-8-9-54-16(35)4-3-6-26)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37H,3-11,26H2,1-2H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1", "name": "4-Aminobutanoyl-CoA", "names": [ "4-Aminobutanoyl-CoA" ] }, { "compound_id": "C02802", "inchi": "InChI=1S/C28H39FN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", "name": "4-Fluorobenzoyl-CoA", "names": [ "4-Fluorobenzoyl-CoA" ] }, { "compound_id": "C02803", "inchi": "InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3", "name": "4-Nitroacetophenone", "names": [ "4-Nitroacetophenone", "p-Nitroacetophenone" ] }, { "compound_id": "C02804", "inchi": "InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)", "name": "5-Hydroxypentanoate", "names": [ "5-Hydroxypentanoate" ] }, { "compound_id": "C02805", "inchi": null, "name": "5-Oxoprolyl-peptide", "names": [ "5-Oxoprolyl-peptide", "Pyroglutamyl-peptide", "Pyrrolidone-carboxyl-peptide", "Pyrrolidone-carboxylyl-peptide" ] }, { "compound_id": "C02806", "inchi": "InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H", "name": "8-Hydroxykaempferol", "names": [ "8-Hydroxykaempferol" ] }, { "compound_id": "C02807", "inchi": "InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H", "name": "Acenaphthenequinone", "names": [ "1,2-Diketoacenaphthene", "Acenaphthenequinone", "Acenaphthoquinone" ] }, { "compound_id": "C02808", "inchi": "InChI=1S/C19H28N8O6/c1-10(28)23-11(5-7-26(2)18(21)22)9-14(29)24-12-3-4-15(33-16(12)17(30)31)27-8-6-13(20)25-19(27)32/h3-4,6,8,11-12,15-16H,5,7,9H2,1-2H3,(H3,21,22)(H,23,28)(H,24,29)(H,30,31)(H2,20,25,32)/t11?,12-,15+,16-/m0/s1", "name": "Acetylblasticidin S", "names": [ "Acetylblasticidin S" ] }, { "compound_id": "C02809", "inchi": "InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)", "name": "Albendazole S-oxide", "names": [ "Albendazole S-oxide" ] }, { "compound_id": "C02810", "inchi": "InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)", "name": "Alditol 6-phosphate", "names": [ "Alditol 6-phosphate" ] }, { "compound_id": "C02811", "inchi": "InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1", "name": "Anhydrotetracycline", "names": [ "Anhydrotetracycline" ] }, { "compound_id": "C02812", "inchi": "InChI=1S/C6H8O9S/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,4,7-9H,1H2,(H,11,12,13)/t2-,4+/m0/s1", "name": "Ascorbate 2-sulfate", "names": [ "Ascorbate 2-sulfate" ] }, { "compound_id": "C02814", "inchi": "InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H", "name": "Benzene-1,2,4-triol", "names": [ "1,2,4-Benzenetriol", "1,2,4-Trihydroxybenzene", "Benzene-1,2,4-triol", "Hydroxyhydroquinone", "Hydroxyquinol" ] }, { "compound_id": "C02816", "inchi": null, "name": "Calmodulin L-lysine", "names": [ "Calmodulin L-lysine" ] }, { "compound_id": "C02817", "inchi": "InChI=1S/C10H2Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/h1,21H", "name": "Chlordecone alcohol", "names": [ "Chlordecone alcohol" ] }, { "compound_id": "C02821", "inchi": "InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1", "name": "Cortisol 21-acetate", "names": [ "Cortell", "Cortisol 21-acetate", "Hydrocortisone acetate" ] }, { "compound_id": "C02822", "inchi": "InChI=1S/C21H30O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/t14?,15?,16?,18?,19?,20?,21-/m0/s1", "name": "Cortisol 21-sulfate", "names": [ "Cortisol 21-sulfate" ] }, { "compound_id": "C02823", "inchi": "InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;;/m1../s1", "name": "Cyanocob(III)alamin", "names": [ "Cyanocob(III)alamin", "Cyanocobalamin", "Dicopac", "Vitamin B12 complex" ] }, { "compound_id": "C02824", "inchi": "InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)", "name": "Cyclohexylsulfamate", "names": [ "Cyclohexylamide sulfate", "Cyclohexylsulfamate", "Cyclohexylsulfamic acid", "Cylamic acid" ] }, { "compound_id": "C02825", "inchi": "InChI=1S/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26-27H,3,6,9-10H2,1-2H3,(H4,23,24,25)/t13-/m0/s1", "name": "Cypridina luciferin", "names": [ "Cypridina luciferin" ] }, { "compound_id": "C02827", "inchi": "InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6?/m1/s1", "name": "D-Glucose 6-sulfate", "names": [ "D-Glucose 6-sulfate" ] }, { "compound_id": "C02828", "inchi": "InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16-,17-/m1/s1", "name": "D-Phe-Pro-Arg-CH2Cl", "names": [ "D-Phe-Pro-Arg-CH2Cl" ] }, { "compound_id": "C02834", "inchi": null, "name": "Heparin-glucosamine", "names": [ "Heparin-glucosamine" ] }, { "compound_id": "C02835", "inchi": "InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)", "name": "Imidazole-4-acetate", "names": [ "4-Imidazoleacetate", "Imidazole-4-acetate", "Imidazoleacetic acid" ] }, { "compound_id": "C02837", "inchi": "InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1", "name": "L-Lysine 1,6-lactam", "names": [ "L-2-Amino-hexano-6-lactam", "L-Lysine 1,6-lactam", "L-alpha-Aminocaprolactam" ] }, { "compound_id": "C02838", "inchi": "InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1", "name": "L-Octanoylcarnitine", "names": [ "L-Octanoylcarnitine" ] }, { "compound_id": "C02839", "inchi": null, "name": "L-Tyrosyl-tRNA(Tyr)", "names": [ "L-Tyrosyl-tRNA(Tyr)", "L-tyrosyl-tRNA-tyr", "l-tyrosyl-trna-tyr" ] }, { "compound_id": "C02840", "inchi": null, "name": "Linear DNA duplexes", "names": [ "Linear DNA duplexes" ] }, { "compound_id": "C02843", "inchi": "InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19?,23-/m1/s1", "name": "Long-chain acyl-CoA", "names": [ "Long-chain acyl-CoA" ] }, { "compound_id": "C02845", "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3", "name": "Methyl ethyl ketone", "names": [ "2-Butanone", "Ethyl methyl ketone", "MEK", "Methyl ethyl ketone" ] }, { "compound_id": "C02846", "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3", "name": "N,N-Dimethylaniline", "names": [ "Dimethylaminobenzene", "N,N-Dimethylaniline", "N,N-Dimethylbenzenamine" ] }, { "compound_id": "C02847", "inchi": null, "name": "N-Acetyl amino acid", "names": [ "N-Acetyl amino acid" ] }, { "compound_id": "C02848", "inchi": null, "name": "N-Acetyl-D-galactosaminide", "names": [ "N-Acetyl-D-galactosaminide" ] }, { "compound_id": "C02850", "inchi": null, "name": "N-Acyl-L-amino acid", "names": [ "N-Acyl-L-amino acid" ] }, { "compound_id": "C02851", "inchi": null, "name": "N-Acyl-L-citrulline", "names": [ "N-Acyl-L-citrulline" ] }, { "compound_id": "C02852", "inchi": "InChI=1S/C8H17NO5/c1-2-9-3-5(11)7(13)8(14)6(12)4-10/h3,5-8,10-14H,2,4H2,1H3/b9-3+/t5-,6+,7+,8+/m0/s1", "name": "N-Ethylglycocyamine", "names": [ "N-Ethylglycocyamine" ] }, { "compound_id": "C02853", "inchi": null, "name": "N-Formyl amino acid", "names": [ "N-Formyl amino acid" ] }, { "compound_id": "C02854", "inchi": "InChI=1S/C6H7NO2/c8-5-7-4-6-2-1-3-9-6/h1-3,5H,4H2,(H,7,8)", "name": "N-Furfurylformamide", "names": [ "N-Furfurylformamide" ] }, { "compound_id": "C02855", "inchi": "InChI=1S/C6H16N4O9P2/c7-4(5(11)12)3-19-21(16,17)18-2-1-9-6(8)10-20(13,14)15/h4H,1-3,7H2,(H,11,12)(H,16,17)(H5,8,9,10,13,14,15)/t4-/m1/s1", "name": "N-Phospho-D-lombricine", "names": [ "N-Phospho-D-lombricine" ] }, { "compound_id": "C02856", "inchi": "InChI=1S/C23H43N5O12/c1-6(30)28-9-3-7(24)14(31)17(34)19(9)38-21-8(25)4-10-20(39-21)16(33)13(27-2)22(36-10)40-23-18(35)15(32)12(26)11(5-29)37-23/h7-23,27,29,31-35H,3-5,24-26H2,1-2H3,(H,28,30)", "name": "N3'-Acetylapramycin", "names": [ "N3'-Acetylapramycin" ] }, { "compound_id": "C02857", "inchi": null, "name": "N3'-Acetylkanamycin", "names": [ "N3'-Acetylkanamycin" ] }, { "compound_id": "C02858", "inchi": null, "name": "N5-Acyl-L-ornithine", "names": [ "N5-Acyl-L-ornithine" ] }, { "compound_id": "C02860", "inchi": null, "name": "N6-Alkylaminopurine", "names": [ "N6-Alkylaminopurine" ] }, { "compound_id": "C02862", "inchi": "InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3", "name": "O-Butanoylcarnitine", "names": [ "O-Butanoylcarnitine" ] }, { "compound_id": "C02863", "inchi": null, "name": "O-D-Mannosylprotein", "names": [ "O-D-Mannosylprotein" ] }, { "compound_id": "C02864", "inchi": "InChI=1S/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)/t13-,14+,15+,17+,21+/m0/s1", "name": "O-Demethylpuromycin", "names": [ "O-Demethylpuromycin" ] }, { "compound_id": "C02866", "inchi": null, "name": "O-Sinapoylglucarate", "names": [ "O-Sinapoylglucarate" ] }, { "compound_id": "C02867", "inchi": null, "name": "Oligoribonucleotide", "names": [ "Oligoribonucleotide" ] }, { "compound_id": "C02868", "inchi": "InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)", "name": "Lecanoric acid", "names": [ "Lecanoric acid", "Orsellinate depside" ] }, { "compound_id": "C02869", "inchi": null, "name": "Oxidized flavodoxin", "names": [ "Oxidized flavodoxin" ] }, { "compound_id": "C02871", "inchi": null, "name": "Peptide L-aspartate", "names": [ "Peptide L-aspartate" ] }, { "compound_id": "C02872", "inchi": null, "name": "Peptide diphthamide", "names": [ "Diphthamide", "EF-2 diphthamide", "Elongation factor 2 diphthamide", "Peptide diphthamide" ] }, { "compound_id": "C02876", "inchi": "InChI=1S/C3H7O5P/c1-2-3(4)8-9(5,6)7/h2H2,1H3,(H2,5,6,7)", "name": "Propanoyl phosphate", "names": [ "Propanoyl phosphate", "Propionyl phosphate" ] }, { "compound_id": "C02879", "inchi": "InChI=1S/C30H28O11/c1-8-17-23(26(35)10(3)40-8)20(13-5-12(31)6-14(32)19(13)28(17)37)21-15(33)7-16(34)22-24(21)30(39)25-18(29(22)38)9(2)41-11(4)27(25)36/h5-11,26-27,31-37H,1-4H3/t8-,9-,10-,11-,26-,27-/m1/s1", "name": "Protoaphin aglucone", "names": [ "Protoaphin aglucone", "Protoaphin aglycone" ] }, { "compound_id": "C02880", "inchi": "InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1", "name": "Protochlorophyllide", "names": [ "Protochlorophyllide" ] }, { "compound_id": "C02882", "inchi": null, "name": "S-Aryl-L-cysteine", "names": [ "RS-CH2-CH(NH3+)COO-", "S-Aryl-L-cysteine" ] }, { "compound_id": "C02884", "inchi": "InChI=1S/C5H13O14P3/c6-3-2(17-5(8)4(3)7)1-16-21(12,13)19-22(14,15)18-20(9,10)11/h2-8H,1H2,(H,12,13)(H,14,15)(H2,9,10,11)/t2-,3-,4-,5-/m1/s1", "name": "Ribose triphosphate", "names": [ "D-Ribose 5-triphosphate", "Ribose triphosphate" ] }, { "compound_id": "C02885", "inchi": null, "name": "S-Alkyl thiosulfate", "names": [ "S-Alkyl thiosulfate" ] }, { "compound_id": "C02886", "inchi": "InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1", "name": "S-Hexyl-glutathione", "names": [ "S-Hexyl-L-glutathione", "S-Hexyl-glutathione" ] }, { "compound_id": "C02887", "inchi": "InChI=1S/C15H16O9/c1-22-9-5-8(6-10(23-2)14(9)19)3-4-13(18)24-11(15(20)21)7-12(16)17/h3-6,11,19H,7H2,1-2H3,(H,16,17)(H,20,21)/b4-3+/t11-/m0/s1", "name": "Sinapoyl malate", "names": [ "Sinapoyl malate", "Sinapoyl-(S)-malate" ] }, { "compound_id": "C02888", "inchi": "InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5+,6+/m0/s1", "name": "Sorbose 1-phosphate", "names": [ "L-Sorbose 1-phosphate", "L-Sorbose 1P", "L-xylo-Hexulose 1-phosphate", "Sorbose 1-phosphate" ] }, { "compound_id": "C02890", "inchi": "InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1", "name": "Tetrahydropalmatine", "names": [ "(S)-Tetrahydropalmatine", "Tetrahydropalmatine" ] }, { "compound_id": "C02892", "inchi": "InChI=1S/C12H14N4O2S/c1-7-10(3-11(17)18)19-6-16(7)5-9-4-14-8(2)15-12(9)13/h4,6H,3,5H2,1-2H3,(H2-,13,14,15,17,18)/p+1", "name": "Thiamine acetic acid", "names": [ "Thiamin acetic acid", "Thiamine acetic acid" ] }, { "compound_id": "C02893", "inchi": "InChI=1S/C6H12O/c1-3-6(4-2)5-7/h3,7H,4-5H2,1-2H3/b6-3+", "name": "Unsaturated alcohol", "names": [ "Unsaturated alcohol" ] }, { "compound_id": "C02894", "inchi": "InChI=1S/C26H21N3O9S2/c30-26-23(15-18-6-10-20(11-7-18)37-39(31,32)33)28-25-22(14-17-4-2-1-3-5-17)27-24(16-29(25)26)19-8-12-21(13-9-19)38-40(34,35)36/h1-13,16,27H,14-15H2,(H,31,32,33)(H,34,35,36)", "name": "Watasenia luciferin", "names": [ "Watasenia luciferin" ] }, { "compound_id": "C02895", "inchi": "InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1", "name": "Xylitol 5-phosphate", "names": [ "D-Xylitol 5-phosphate", "Xylitol 5-phosphate" ] }, { "compound_id": "C02896", "inchi": "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2", "name": "alpha,omega-Diamine", "names": [ "alpha,omega-Diamine" ] }, { "compound_id": "C02897", "inchi": null, "name": "alpha-D-Arabinoside", "names": [ "alpha-D-Arabinoside" ] }, { "compound_id": "C02899", "inchi": "InChI=1S/C20H22N2O3/c1-11(2)7-8-13-5-4-6-15-18(13)14(10-21-15)9-16-19(24)17(12(3)23)20(25)22-16/h4-7,10,16,21,24H,8-9H2,1-3H3,(H,22,25)/t16-/m0/s1", "name": "beta-Cyclopiazonate", "names": [ "beta-Cyclopiazonate", "beta-Cyclopiazonic acid" ] }, { "compound_id": "C02900", "inchi": null, "name": "beta-D-Galactosyl-R", "names": [ "beta-D-Galactosyl-R" ] }, { "compound_id": "C02903", "inchi": "InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2", "name": "omega-Aminoaldehyde", "names": [ "omega-Aminoaldehyde" ] }, { "compound_id": "C02904", "inchi": "InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1", "name": "p-Menthane-3,8-diol", "names": [ "(-)-3,8-p-Menthanediol", "p-Menthane-3,8-diol" ] }, { "compound_id": "C02905", "inchi": null, "name": "tRNA(Asp)-queuosine", "names": [ "tRNA(Asp)-queuosine" ] }, { "compound_id": "C02906", "inchi": "InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1", "name": "Dihydromyricetin", "names": [ "(+)-Ampelopsin", "(+)-Dihydromyricetin", "Ampelopsin", "Dihydromyricetin" ] }, { "compound_id": "C02909", "inchi": "InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2", "name": "(2-Naphthyl)methanol", "names": [ "(2-Naphthyl)methanol", "2-Hydroxymethylnaphthalene", "2-Naphthalenemethanol" ] }, { "compound_id": "C02912", "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1", "name": "(R)-Propane-1,2-diol", "names": [ "(R)-1,2-Propanediol", "(R)-Propane-1,2-diol", "(R)-Propylene glycol" ] }, { "compound_id": "C02914", "inchi": "InChI=1S/C3H6O6S/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H,6,7,8)/t2-/m0/s1", "name": "(S)-2-O-Sulfolactate", "names": [ "(S)-2-O-Sulfolactate" ] }, { "compound_id": "C02915", "inchi": "InChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22?/m0/s1", "name": "(S)-N-Methylcanadine", "names": [ "(S)-N-Methylcanadine" ] }, { "compound_id": "C02916", "inchi": "InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1", "name": "(S)-Norlaudanosoline", "names": [ "(S)-Norlaudanosoline", "(S)-Tetrahydropapaveroline" ] }, { "compound_id": "C02917", "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1", "name": "(S)-Propane-1,2-diol", "names": [ "(S)-1,2-Propanediol", "(S)-Propane-1,2-diol", "(S)-Propylene glycol" ] }, { "compound_id": "C02918", "inchi": "InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1", "name": "1-Methylnicotinamide", "names": [ "1-Methylnicotinamide", "N(1)-Methylnicotinamide" ] }, { "compound_id": "C02919", "inchi": "InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1", "name": "4-O-beta-D-Glucosyl-sinapate", "names": [ "4-O-beta-D-Glucosyl-sinapate" ] }, { "compound_id": "C02920", "inchi": "InChI=1S/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3", "name": "2'-Hydroxyformononetin", "names": [ "2'-Hydroformononetin", "2'-Hydroxyformononetin" ] }, { "compound_id": "C02921", "inchi": "InChI=1S/C15H10O3/c16-13-7-3-1-5-10(13)12-9-18-14-8-4-2-6-11(14)15(12)17/h1-9,16H", "name": "2'-Hydroxyisoflavone", "names": [ "2'-Hydroxyisoflavone" ] }, { "compound_id": "C02922", "inchi": "InChI=1S/C16H14O5/c1-21-16-8-12(18)6-7-13(16)15(20)9-14(19)10-2-4-11(17)5-3-10/h2-8,17-18H,9H2,1H3", "name": "2'-O-Methyllicodione", "names": [ "2'-O-Methyllicodione" ] }, { "compound_id": "C02923", "inchi": "InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3", "name": "2,3-Dihydroxytoluene", "names": [ "2,3-Dihydroxytoluene", "3-Methylcatechol" ] }, { "compound_id": "C02924", "inchi": "InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2", "name": "Dimercaprol", "names": [ "2,3-Dimercapto-1-propanol", "2,3-Mercaptopropanol", "British anti-lewisite", "Dimercaprol" ] }, { "compound_id": "C02926", "inchi": "InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2", "name": "Homoserine lactone", "names": [ "2-Aminobutan-4-olide", "Homoserine lactone" ] }, { "compound_id": "C02927", "inchi": "InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+", "name": "2-Caffeoylisocitrate", "names": [ "(E)-Caffeoylisocitrate", "2-Caffeoylisocitrate" ] }, { "compound_id": "C02928", "inchi": "InChI=1S/C5H8O6/c6-1-2(7)3(8)4(9)5(10)11/h2-3,6-8H,1H2,(H,10,11)/t2-,3+/m1/s1", "name": "2-Dehydro-D-xylonate", "names": [ "2-Dehydro-D-xylonate" ] }, { "compound_id": "C02929", "inchi": null, "name": "2-Hydroxy carboxylate", "names": [ "2-Hydroxy carboxylate" ] }, { "compound_id": "C02930", "inchi": "InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h1-3H2,(H,7,8)(H,9,10)", "name": "2-Methyleneglutarate", "names": [ "2-Methyleneglutarate", "alpha-Methylene glutarate" ] }, { "compound_id": "C02932", "inchi": "InChI=1S/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-3,8H,(H,6,7)", "name": "3,4-Dihydroxypyridine", "names": [ "3,4-Dihydroxypyridine" ] }, { "compound_id": "C02933", "inchi": "InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H", "name": "3,5-Dichlorocatechol", "names": [ "3,5-Dichlorocatechol" ] }, { "compound_id": "C02934", "inchi": "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1", "name": "3-Dehydrosphinganine", "names": [ "3-Dehydro-D-sphinganine", "3-Dehydrosphinganine" ] }, { "compound_id": "C02937", "inchi": "InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2/b12-6+", "name": "Indole-3-acetaldehyde oxime", "names": [ "3-Indoleacetaldoxime", "Indole-3-acetaldehyde oxime", "Indole-3-acetaldoxime" ] }, { "compound_id": "C02938", "inchi": "InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2", "name": "3-Indoleacetonitrile", "names": [ "(Indol-3-yl)acetonitrile", "3-Indoleacetonitrile", "Indol-3-ylacetonitrile", "Indole-3-acetonitrile" ] }, { "compound_id": "C02939", "inchi": "InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1", "name": "3-Methylbutanoyl-CoA", "names": [ "3-Methylbutanoyl-CoA", "Isovaleryl-CoA" ] }, { "compound_id": "C02940", "inchi": "InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15?,16?,17?,18?,19?/m0/s1", "name": "3-Oxo-5alpha-steroid", "names": [ "3-Oxo-5alpha-steroid" ] }, { "compound_id": "C02941", "inchi": "InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h7,11,13,15-17H,3-6,8-10,12H2,1-2H3", "name": "3-Oxo-delta1-steroid", "names": [ "3-Oxo-delta1-steroid" ] }, { "compound_id": "C02942", "inchi": "InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16?,17?,19+,20-,21-/m0/s1", "name": "3-Oxo-hydroxysteroid", "names": [ "3-Oxo-hydroxysteroid" ] }, { "compound_id": "C02943", "inchi": "InChI=1S/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1", "name": "3-Oxoglycyrrhetinate", "names": [ "3-Oxoglycyrrhetinate" ] }, { "compound_id": "C02944", "inchi": "InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h11-12,20-22,26-28,32,43-44H,4-10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b12-11-/t22-,26-,27-,28?,32-/m1/s1", "name": "3-cis-Dodecenoyl-CoA", "names": [ "(3Z)-Dodec-3-enoyl-CoA", "(3Z)-Dodecenoyl-CoA", "3-cis-Dodecenoyl coenzyme A", "3-cis-Dodecenoyl-CoA" ] }, { "compound_id": "C02945", "inchi": "InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18?,19?/m0/s1", "name": "3beta-Hydroxysteroid", "names": [ "3beta-Hydroxysteroid" ] }, { "compound_id": "C02946", "inchi": "InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)", "name": "4-Acetamidobutanoate", "names": [ "4-Acetamidobutanoate", "N4-Acetylaminobutanoate" ] }, { "compound_id": "C02947", "inchi": "InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/b6-3+/t12-,13-,15-/m1/s1", "name": "4-Coumaroylshikimate", "names": [ "4-Coumaroylshikimate", "trans-5-O-(4-Coumaroyl)shikimate" ] }, { "compound_id": "C02948", "inchi": "InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3", "name": "4-Hydroxyhexan-3-one", "names": [ "4-Hydroxy-3-hexanone", "4-Hydroxyhexan-3-one", "Propioin" ] }, { "compound_id": "C02949", "inchi": "InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", "name": "4-Hydroxybenzoyl-CoA", "names": [ "4-Hydroxybenzoyl-CoA" ] }, { "compound_id": "C02951", "inchi": "InChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3", "name": "5-Hydroxyxanthotoxin", "names": [ "5-Hydroxyxanthotoxin" ] }, { "compound_id": "C02952", "inchi": "InChI=1S/C10H14O3/c1-9(2)6-4-8(12)13-10(9,3)5-7(6)11/h6H,4-5H2,1-3H3", "name": "5-Oxo-1,2-campholide", "names": [ "5-Oxo-1,2-campholide" ] }, { "compound_id": "C02953", "inchi": "InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)", "name": "7,8-Dihydrobiopterin", "names": [ "7,8-Dihydrobiopterin" ] }, { "compound_id": "C02954", "inchi": "InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1", "name": "6-Aminopenicillanate", "names": [ "6-Aminopenicillanate", "6-Aminopenicillanic acid", "6-aminopenicillanate-", "6-aminopenicillanic acid-" ] }, { "compound_id": "C02956", "inchi": "InChI=1S/C19H32O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h13-17,20H,3-12H2,1-2H3/t13?,14?,15?,16-,17?,18?,19?/m0/s1", "name": "7beta-Hydroxysteroid", "names": [ "7beta-Hydroxysteroid" ] }, { "compound_id": "C02957", "inchi": "InChI=1S/C11H14N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-6,8-9,16-17H,1-3H2,(H,12,13)/t6-,8+,9+/m0/s1", "name": "8-Oxodeoxycoformycin", "names": [ "8-Oxodeoxycoformycin" ] }, { "compound_id": "C02960", "inchi": null, "name": "Ceramide 1-phosphate", "names": [ "Ceramide 1-phosphate", "Ceramide phosphate" ] }, { "compound_id": "C02961", "inchi": "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7?,8-/m1/s1", "name": "Cytosine arabinoside", "names": [ "Cytarabine", "Cytosine arabinoside", "Cytosine-1-beta-D-arabinofuranoside" ] }, { "compound_id": "C02962", "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1", "name": "D-Allose 6-phosphate", "names": [ "D-Allose 6-phosphate" ] }, { "compound_id": "C02964", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10?,11-,12?/m1/s1", "name": "D-Glucosyl-D-mannose", "names": [ "D-Glucosyl-D-mannose" ] }, { "compound_id": "C02965", "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)", "name": "D-Hexose 6-phosphate", "names": [ "D-Hexose 6-phosphate" ] }, { "compound_id": "C02967", "inchi": null, "name": "DNA 5-methylcytosine", "names": [ "5-Methylcytosine (in DNA)", "DNA 5-methylcytosine", "DNA containing 5-methylcytosine" ] }, { "compound_id": "C02970", "inchi": "InChI=1S/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-", "name": "Decaprenol phosphate", "names": [ "Decaprenol phosphate", "mono-trans, poly-cis-Decaprenyl phosphate" ] }, { "compound_id": "C02972", "inchi": null, "name": "Dihydrolipoylprotein", "names": [ "Dihydrolipoylprotein", "[H Protein]-dihydrolipoyllysine" ] }, { "compound_id": "C02975", "inchi": "InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3", "name": "Ethyl 3-oxohexanoate", "names": [ "Ethyl 3-oxohexanoate", "Ethyl butyrylacetate" ] }, { "compound_id": "C02977", "inchi": "InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7+,8-,9+,10-,11+,14-,15-/m1/s1", "name": "GDP-6-deoxy-D-talose", "names": [ "GDP-6-deoxy-D-talose" ] }, { "compound_id": "C02979", "inchi": "InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)", "name": "Glycerol 2-phosphate", "names": [ "Glycerol 2-phosphate", "beta-Glycerophosphoric acid" ] }, { "compound_id": "C02980", "inchi": "InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H", "name": "Hydroxyanthraquinone", "names": [ "1-Hydroxyanthraquinone", "Hydroxyanthraquinone" ] }, { "compound_id": "C02982", "inchi": "InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)/t16?,17?,18?,19-/m0/s1", "name": "L-2-Hydroxyphytanate", "names": [ "L-2-Hydroxyphytanate" ] }, { "compound_id": "C02983", "inchi": "InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1", "name": "Abrine", "names": [ "Abrine", "L-Abrine" ] }, { "compound_id": "C02984", "inchi": null, "name": "L-Aspartyl-tRNA(Asp)", "names": [ "L-Aspartyl-tRNA(Asp)" ] }, { "compound_id": "C02985", "inchi": "InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6+/m0/s1", "name": "L-Fucose 1-phosphate", "names": [ "6-Deoxy-L-galactose 1-phosphate", "L-Fucose 1-phosphate", "beta-L-Fucose 1-phosphate" ] }, { "compound_id": "C02986", "inchi": null, "name": "L-Glutaminyl-peptide", "names": [ "L-Glutaminyl-peptide" ] }, { "compound_id": "C02987", "inchi": null, "name": "L-Glutamyl-tRNA(Glu)", "names": [ "L-Glutamyl-tRNA(Glu)" ] }, { "compound_id": "C02988", "inchi": null, "name": "L-Histidyl-tRNA(His)", "names": [ "L-Histidyl-tRNA(His)", "L-histidyl-tRNA-his", "l-histidyl-trna-his" ] }, { "compound_id": "C02989", "inchi": "InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1", "name": "L-Methionine S-oxide", "names": [ "L-Methionine S-oxide" ] }, { "compound_id": "C02990", "inchi": "InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1", "name": "L-Palmitoylcarnitine", "names": [ "L-Palmitoylcarnitine" ] }, { "compound_id": "C02991", "inchi": "InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3/t2-,3-,4+,5-/m0/s1", "name": "L-Rhamnono-1,4-lactone", "names": [ "L-Rhamno-1,4-lactone", "L-Rhamnono-1,4-lactone" ] }, { "compound_id": "C02992", "inchi": null, "name": "L-Threonyl-tRNA(Thr)", "names": [ "L-Threonyl-tRNA(Thr)", "l-threonyl-trna-thr" ] }, { "compound_id": "C02993", "inchi": "InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)/t11-,12-/m0/s1", "name": "Kyotorphin", "names": [ "Kyotorphin", "L-Tyrosyl-L-arginine" ] }, { "compound_id": "C02994", "inchi": "InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3+,4-/m0/s1", "name": "L-Xylono-1,4-lactone", "names": [ "L-Xylono-1,4-lactone" ] }, { "compound_id": "C02995", "inchi": "InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1", "name": "Maltose 6'-phosphate", "names": [ "Maltose 6'-phosphate" ] }, { "compound_id": "C02996", "inchi": "InChI=1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1", "name": "Meclofenamate sodium", "names": [ "Meclofenamate sodium", "Meclofenamic acid sodium salt" ] }, { "compound_id": "C02997", "inchi": "InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1", "name": "N-Acetyl-L-histidine", "names": [ "N-Acetyl-L-histidine" ] }, { "compound_id": "C02998", "inchi": null, "name": "N-Acetylarylalkylamine", "names": [ "N-Acetylaralkylamine", "N-Acetylarylalkylamine" ] }, { "compound_id": "C02999", "inchi": "InChI=1S/C14H24N2O9/c1-5(13(21)22)15-12(20)6(2)24-11-9(16-7(3)18)14(23)25-8(4-17)10(11)19/h5-6,8-11,14,17,19,23H,4H2,1-3H3,(H,15,20)(H,16,18)(H,21,22)/t5-,6-,8-,9-,10-,11-,14+/m1/s1", "name": "N-Acetylmuramoyl-Ala", "names": [ "N-Acetyl-D-muramoyl-L-alanine", "N-Acetylmuramoyl-Ala" ] }, { "compound_id": "C03000", "inchi": null, "name": "N-Acyl-D-glucosamine", "names": [ "N-Acyl-D-glucosamine" ] }, { "compound_id": "C03001", "inchi": "InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m1/s1", "name": "N-Benzoyl-D-arginine", "names": [ "N-Benzoyl-D-arginine" ] }, { "compound_id": "C03002", "inchi": "InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+", "name": "N-Caffeoylputrescine", "names": [ "N-Caffeoylputrescine" ] }, { "compound_id": "C03003", "inchi": "InChI=1S/C12H15NO7/c14-5-7-8(15)9(16)10(17)11(20-7)13-3-1-2-6(4-13)12(18)19/h1-4,7-11,14-17H,5H2/p+1/t7-,8-,9+,10-,11-/m1/s1", "name": "N-Glucosylnicotinate", "names": [ "N-Glucosylnicotinate" ] }, { "compound_id": "C03004", "inchi": "InChI=1S/C9H11NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,8,10-11,14H,5H2,(H,12,13)/t8-/m0/s1", "name": "N-Hydroxy-L-tyrosine", "names": [ "N-Hydroxy-L-tyrosine" ] }, { "compound_id": "C03005", "inchi": "InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)", "name": "N-Methylanthranilate", "names": [ "2-(Methylamino)benzoic acid", "N-Methylanthranilate", "N-Methylanthranilic acid" ] }, { "compound_id": "C03007", "inchi": "InChI=1S/C6H8N2O/c1-2-6(9)8-4-3-7-5-8/h3-5H,2H2,1H3", "name": "1-(1-Oxopropyl)-1H-imidazole", "names": [ "1-(1-Oxopropyl)-1H-imidazole", "N-Propanoylimidazole", "N-Propionylimidazole" ] }, { "compound_id": "C03009", "inchi": "InChI=1S/C19H36N4O11/c1-5(25)23-11-8(26)4-31-19(14(11)29)34-17-7(21)2-6(20)16(15(17)30)33-18-10(22)13(28)12(27)9(3-24)32-18/h6-19,24,26-30H,2-4,20-22H2,1H3,(H,23,25)/t6-,7+,8-,9+,10+,11+,12+,13+,14-,15-,16?,17?,18?,19?/m0/s1", "name": "N3'-Acetylgentamicin", "names": [ "N3'-Acetylgentamicin" ] }, { "compound_id": "C03010", "inchi": "InChI=1S/C20H39N5O10/c1-6(27)25-13-14(29)12(5-26)33-20(15(13)30)35-18-8(23)2-7(22)17(16(18)31)34-19-9(24)3-10(28)11(4-21)32-19/h7-20,26,28-31H,2-5,21-24H2,1H3,(H,25,27)", "name": "N3'-Acetyltobramycin", "names": [ "N3'-Acetyltobramycin" ] }, { "compound_id": "C03011", "inchi": null, "name": "Nalpha-Acetylpeptide", "names": [ "Nalpha-Acetylpeptide" ] }, { "compound_id": "C03012", "inchi": "InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H", "name": "Naphthalene-1,2-diol", "names": [ "1,2-Dihydroxynaphthalene", "1,2-Naphthalenediol", "Naphthalene-1,2-diol", "beta-Naphthohydroquinone" ] }, { "compound_id": "C03015", "inchi": "InChI=1S/C4H8N2O4/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1", "name": "O-Carbamoyl-L-serine", "names": [ "O-Carbamoyl-L-serine" ] }, { "compound_id": "C03016", "inchi": null, "name": "O-Phosphotropomyosin", "names": [ "O-Phosphotropomyosin", "Phosphorylated tropomyosin", "Tropomyosin phosphoserine" ] }, { "compound_id": "C03017", "inchi": "InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3", "name": "O-Propanoylcarnitine", "names": [ "O-Propanoylcarnitine", "O-Propionylcarnitine", "l-propionylcarnitine" ] }, { "compound_id": "C03018", "inchi": null, "name": "Oligoglycosylglucose", "names": [ "Oligoglycosylglucose" ] }, { "compound_id": "C03019", "inchi": "InChI=1S/C24H34O7/c1-6-7-17(26)31-24-18(21(24,4)5)15-9-14(11-25)10-22(29)16(8-12(2)19(22)27)23(15,30)13(3)20(24)28/h8-9,13,15-16,18,20,25,28-30H,6-7,10-11H2,1-5H3/t13-,15+,16-,18-,20-,22-,23-,24-/m1/s1", "name": "Phorbol 13-butanoate", "names": [ "Phorbol 13-butanoate" ] }, { "compound_id": "C03021", "inchi": null, "name": "Protein asparagine", "names": [ "Protein L-asparagine", "Protein asparagine" ] }, { "compound_id": "C03022", "inchi": null, "name": "Protein L-citrulline", "names": [ "Protein L-citrulline" ] }, { "compound_id": "C03023", "inchi": null, "name": "Peptide-L-methionine", "names": [ "Peptide-L-methionine" ] }, { "compound_id": "C03024", "inchi": null, "name": "Reduced flavoprotein", "names": [ "Reduced flavoprotein" ] }, { "compound_id": "C03025", "inchi": null, "name": "Reduced plastocyanin", "names": [ "Reduced plastocyanin" ] }, { "compound_id": "C03027", "inchi": "InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1", "name": "Testosterone acetate", "names": [ "Testosterone acetate" ] }, { "compound_id": "C03028", "inchi": "InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1", "name": "Thiamin triphosphate", "names": [ "Thiamin triphosphate", "Thiamine triphosphate" ] }, { "compound_id": "C03029", "inchi": null, "name": "Transferrin[Fe(II)]2", "names": [ "Transferrin[Fe(II)]2" ] }, { "compound_id": "C03030", "inchi": "InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)", "name": "Uracil 5-carboxylate", "names": [ "5-Carboxyuracil", "Uracil 5-carboxylate", "Uracil 5-carboxylic acid" ] }, { "compound_id": "C03031", "inchi": "InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "Uridine 2'-phosphate", "names": [ "Uridine 2'-phosphate" ] }, { "compound_id": "C03032", "inchi": "InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1", "name": "alpha-Cyclopiazonate", "names": [ "alpha-Cyclopiazonate", "alpha-Cyclopiazonic acid" ] }, { "compound_id": "C03033", "inchi": null, "name": "beta-D-Glucuronoside", "names": [ "Glucuronide", "O-beta-D-glucuronoside", "beta-D-Glucuronide", "beta-D-Glucuronoside" ] }, { "compound_id": "C03034", "inchi": "InChI=1S/C16H24N2O17P2/c1-5-3-18(16(26)17-13(5)23)8-2-6(19)7(32-8)4-31-36(27,28)35-37(29,30)34-15-11(22)9(20)10(21)12(33-15)14(24)25/h3,6-12,15,19-22H,2,4H2,1H3,(H,24,25)(H,27,28)(H,29,30)(H,17,23,26)/t6-,7+,8+,9-,10+,11+,12-,15+/m0/s1", "name": "dTDP-D-galacturonate", "names": [ "dTDP-D-galacturonate" ] }, { "compound_id": "C03035", "inchi": "InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,26-28,32-34,38,49-50H,4-7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-,15-14-/t28-,32-,33-,34?,38-/m1/s1", "name": "gamma-Linolenoyl-CoA", "names": [ "gamma-Linolenoyl-CoA" ] }, { "compound_id": "C03036", "inchi": "InChI=1S/C17H14O7/c1-8-4-11(19)14-12(5-8)24-17(15(14)20)10(16(21)23-3)6-9(18)7-13(17)22-2/h4-7,19H,1-3H3/t17-/m0/s1", "name": "(+)-Bisdechlorogeodin", "names": [ "(+)-Bisdechlorogeodin" ] }, { "compound_id": "C03037", "inchi": "InChI=1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3", "name": "(+)-Bornane-2,5-dione", "names": [ "(+)-Bornane-2,5-dione", "2,5-Diketocamphane" ] }, { "compound_id": "C03039", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m1/s1", "name": "(+)-trans-Piperitenol", "names": [ "(+)-trans-Piperitenol" ] }, { "compound_id": "C03040", "inchi": "InChI=1S/C17H14O7/c1-8-4-11(19)14-12(5-8)24-17(15(14)20)10(16(21)23-3)6-9(18)7-13(17)22-2/h4-7,19H,1-3H3/t17-/m1/s1", "name": "(-)-Bisdechlorogeodin", "names": [ "(-)-Bisdechlorogeodin" ] }, { "compound_id": "C03042", "inchi": "InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1", "name": "(R)-2-Hydroxystearate", "names": [ "(R)-2-Hydroxystearate" ] }, { "compound_id": "C03043", "inchi": "InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m1/s1", "name": "(R)-6-Hydroxynicotine", "names": [ "(R)-6-Hydroxynicotine" ] }, { "compound_id": "C03044", "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1", "name": "(R,R)-Butane-2,3-diol", "names": [ "(R,R)-2,3-Butanediol", "(R,R)-2,3-Butylene glycol", "(R,R)-Butane-2,3-diol" ] }, { "compound_id": "C03045", "inchi": "InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1", "name": "(S)-2-Hydroxystearate", "names": [ "(S)-2-Hydroxystearate" ] }, { "compound_id": "C03046", "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1", "name": "(S,S)-Butane-2,3-diol", "names": [ "(S,S)-2,3-Butanediol", "(S,S)-2,3-Butylene glycol", "(S,S)-Butane-2,3-diol" ] }, { "compound_id": "C03047", "inchi": "InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)", "name": "Arcaine", "names": [ "1,4-Diguanidinobutane", "Arcaine" ] }, { "compound_id": "C03049", "inchi": "InChI=1S/C22H44O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)", "name": "13-Hydroxydocosanoic acid", "names": [ "13-Hydroxydocosanoate", "13-Hydroxydocosanoic acid" ] }, { "compound_id": "C03050", "inchi": "InChI=1S/C19H32O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-17,20-21H,3-11H2,1-2H3/t12?,13?,14-,15?,16?,17?,18?,19?/m0/s1", "name": "16beta-Hydroxysteroid", "names": [ "16beta-Hydroxysteroid" ] }, { "compound_id": "C03051", "inchi": "InChI=1/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13?,14?,15?,16?,17-,18?,19?/m0/s1", "name": "17beta-Hydroxysteroid", "names": [ "17beta-Hydroxysteroid" ] }, { "compound_id": "C03052", "inchi": "InChI=1S/C15H12O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,13-14,16-20,22H/t13?,14-/m1/s1", "name": "2,3-Dihydrogossypetin", "names": [ "2,3-Dihydrogossypetin" ] }, { "compound_id": "C03056", "inchi": "InChI=1S/C5H5NO2/c7-4-2-1-3-5(8)6-4/h1-3H,(H2,6,7,8)", "name": "2,6-Dihydroxypyridine", "names": [ "2,6-Dihydroxypyridine" ] }, { "compound_id": "C03057", "inchi": "InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)", "name": "2-Carboxybenzaldehyde", "names": [ "2-Carboxybenzaldehyde", "2-Formylbenzoate", "2-Formylbenzoic acid", "Phthalaldehydic acid", "o-Formylbenzoic acid" ] }, { "compound_id": "C03058", "inchi": "InChI=1S/C26H42N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,34,38-39H,3-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13?,14-,18-,19-,20?,24-/m1/s1", "name": "2-Hydroxyglutaryl-CoA", "names": [ "2-Hydroxyglutaryl-CoA" ] }, { "compound_id": "C03059", "inchi": "InChI=1S/C4H9NO4/c5-4(1-6,2-7)3(8)9/h6-7H,1-2,5H2,(H,8,9)", "name": "2-Hydroxymethylserine", "names": [ "2-Hydroxymethylserine" ] }, { "compound_id": "C03062", "inchi": "InChI=1S/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)/b4-2+/t10-,11-,12-,13+/m0/s1", "name": "2-O-Caffeoylglucarate", "names": [ "2-O-Caffeoylglucarate" ] }, { "compound_id": "C03063", "inchi": "InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)/b3-1-", "name": "2-Oxohept-3-enedioate", "names": [ "2-Oxohept-3-ene-1,7-dioate", "2-Oxohept-3-enedioate" ] }, { "compound_id": "C03064", "inchi": "InChI=1S/C4H6O5/c5-1-2(6)3(7)4(8)9/h3,5,7H,1H2,(H,8,9)/t3-/m1/s1", "name": "3-Dehydro-L-threonate", "names": [ "3-Dehydro-L-threonate", "3-oxo-l-threonate" ] }, { "compound_id": "C03065", "inchi": "InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)", "name": "3-Guanidinopropanoate", "names": [ "3-Guanidinopropanoate", "Guanidinopropionic acid" ] }, { "compound_id": "C03066", "inchi": "InChI=1S/C5H9NO5/c6-4(5(10)11)2(7)1-3(8)9/h2,4,7H,1,6H2,(H,8,9)(H,10,11)/t2?,4-/m0/s1", "name": "3-Hydroxy-L-glutamate", "names": [ "3-Hydroxy-L-glutamate", "3-Hydroxy-L-glutamic acid" ] }, { "compound_id": "C03067", "inchi": "InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H", "name": "3-Hydroxybenzaldehyde", "names": [ "3-Hydroxybenzaldehyde" ] }, { "compound_id": "C03068", "inchi": "InChI=1S/C12H16N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6,18H,3-5,7H2,1-2H3", "name": "3-Hydroxyhexobarbital", "names": [ "3-Hydroxyhexobarbital" ] }, { "compound_id": "C03069", "inchi": "InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1", "name": "3-Methylcrotonyl-CoA", "names": [ "3-Methylbut-2-enoyl-CoA", "3-Methylcrotonoyl-CoA", "3-Methylcrotonyl-CoA", "Dimethylacryloyl-CoA" ] }, { "compound_id": "C03070", "inchi": "InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16+,18-,19+,20-,21-,23-,24+/m0/s1", "name": "3-Oxo-5beta-cholanate", "names": [ "3-Oxo-5beta-cholanate" ] }, { "compound_id": "C03071", "inchi": "InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h2H,1H2,(H,5,6)(H,7,8)", "name": "3-aci-Nitropropanoate", "names": [ "3-aci-Nitropropanoate", "3-aci-Nitropropionic acid" ] }, { "compound_id": "C03072", "inchi": "InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18?,19?/m1/s1", "name": "3alpha-Hydroxysteroid", "names": [ "3alpha-Hydroxysteroid" ] }, { "compound_id": "C03074", "inchi": "InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)14-10-19-15-5-3-2-4-13(15)16(14)17/h2-10H,1H3", "name": "4'-O-Methylisoflavone", "names": [ "4'-O-Methylisoflavone" ] }, { "compound_id": "C03076", "inchi": "InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)", "name": "4-Bromophenylacetate", "names": [ "4-Bromophenylacetate", "4-Bromophenylacetic acid" ] }, { "compound_id": "C03077", "inchi": "InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)", "name": "4-Chlorophenylacetate", "names": [ "4-Chlorophenylacetate", "4-Chlorophenylacetic acid" ] }, { "compound_id": "C03078", "inchi": "InChI=1S/C5H12N4O/c6-4(10)2-1-3-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9)", "name": "4-Guanidinobutanamide", "names": [ "4-Guanidinobutanamide" ] }, { "compound_id": "C03079", "inchi": "InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3?/m0/s1", "name": "4-Hydroxy-L-glutamate", "names": [ "4-Hydroxy-L-glutamate", "4-Hydroxy-L-glutamic acid" ] }, { "compound_id": "C03080", "inchi": "InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)", "name": "4-Hydroxyhydratropate", "names": [ "4-Hydroxyhydratropate" ] }, { "compound_id": "C03081", "inchi": "InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3", "name": "4-Methylumbelliferone", "names": [ "4-Methylumbelliferone", "Hymecromone" ] }, { "compound_id": "C03082", "inchi": "InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1", "name": "4-Phospho-L-aspartate", "names": [ "4-Phospho-L-aspartate", "L-4-Aspartyl phosphate" ] }, { "compound_id": "C03083", "inchi": null, "name": "4-Substituted anilide", "names": [ "4-Substituted anilide" ] }, { "compound_id": "C03084", "inchi": null, "name": "4-Substituted aniline", "names": [ "4-Substituted aniline" ] }, { "compound_id": "C03085", "inchi": null, "name": "5'-Acylphosphoinosine", "names": [ "5'-Acylphosphoinosine" ] }, { "compound_id": "C03086", "inchi": null, "name": "5'-Acylphosphouridine", "names": [ "5'-Acylphosphouridine" ] }, { "compound_id": "C03087", "inchi": "InChI=1S/C7H13NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)", "name": "5-Acetamidopentanoate", "names": [ "5-Acetamidopentanoate" ] }, { "compound_id": "C03088", "inchi": "InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)", "name": "5-Hydroxymethyluracil", "names": [ "5-Hydroxymethyluracil" ] }, { "compound_id": "C03089", "inchi": "InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1", "name": "5-Methylthio-D-ribose", "names": [ "5-Methylthio-D-ribose", "S-Methyl-5-thio-D-ribose" ] }, { "compound_id": "C03090", "inchi": "InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1", "name": "5-Phosphoribosylamine", "names": [ "5-Phospho-D-ribosylamine", "5-Phospho-beta-D-ribosylamine", "5-Phosphoribosyl-1-amine", "5-Phosphoribosylamine" ] }, { "compound_id": "C03091", "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1", "name": "5beta-Cholestan-3-one", "names": [ "5beta-Cholestan-3-one", "Coprostan-3-one" ] }, { "compound_id": "C03092", "inchi": "InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m0/s1", "name": "6-endo-Hydroxycineole", "names": [ "6-endo-Hydroxycineole" ] }, { "compound_id": "C03093", "inchi": "InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H", "name": "7,8-Dihydroxycoumarin", "names": [ "7,8-Dihydroxycoumarin", "Daphnetin" ] }, { "compound_id": "C03095", "inchi": null, "name": "N-Aminoacyl-L-histidine", "names": [ "N-Aminoacyl-L-histidine" ] }, { "compound_id": "C03097", "inchi": "InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1", "name": "Aryl beta-D-glucoside", "names": [ "Aryl beta-D-glucoside" ] }, { "compound_id": "C03098", "inchi": "InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2", "name": "Benzyl isothiocyanate", "names": [ "Benzyl isothiocyanate" ] }, { "compound_id": "C03101", "inchi": null, "name": "Coagulation Factor IX", "names": [ "Coagulation Factor IX" ] }, { "compound_id": "C03103", "inchi": null, "name": "Cyclobutadipyrimidine", "names": [ "Cyclobutadipyrimidine", "Cyclobutadipyrimidine (in DNA)" ] }, { "compound_id": "C03104", "inchi": "InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "Cytidine 2'-phosphate", "names": [ "2'-Cytidylic acid", "Cytidine 2'-monophosphate", "Cytidine 2'-phosphate" ] }, { "compound_id": "C03105", "inchi": null, "name": "Cytochrome c L-lysine", "names": [ "Cytochrome c L-lysine" ] }, { "compound_id": "C03106", "inchi": null, "name": "D-Galactosaminoglycan", "names": [ "D-Galactosaminoglycan" ] }, { "compound_id": "C03107", "inchi": "InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3?,4-,5-/m1/s1", "name": "D-Glucono-1,4-lactone", "names": [ "D-Glucono-1,4-lactone" ] }, { "compound_id": "C03108", "inchi": "InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21+,22-,23+,24+/m0/s1", "name": "D-Glucosylsphingosine", "names": [ "D-Glucosylsphingosine" ] }, { "compound_id": "C03109", "inchi": "InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4-/m1/s1", "name": "D-Threose 4-phosphate", "names": [ "D-Threose 4-phosphate" ] }, { "compound_id": "C03110", "inchi": null, "name": "DNA N4-methylcytosine", "names": [ "DNA N4-methylcytosine" ] }, { "compound_id": "C03112", "inchi": "InChI=1S/C14H19N3O7S/c15-7(13(21)22)2-1-3-8(19)16-9-11(20)17-10(14(23)24)6(4-18)5-25-12(9)17/h7,9,12,18H,1-5,15H2,(H,16,19)(H,21,22)(H,23,24)/t7-,9-,12-/m1/s1", "name": "Deacetylcephalosporin C", "names": [ "Deacetylcephalosporin C" ] }, { "compound_id": "C03113", "inchi": "InChI=1S/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)", "name": "Diisopropyl phosphate", "names": [ "Diisopropyl phosphate" ] }, { "compound_id": "C03114", "inchi": "InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)", "name": "Dimethylbenzimidazole", "names": [ "5,6-Dimethylbenzimidazole", "Dimethylbenzimidazole" ] }, { "compound_id": "C03115", "inchi": "InChI=1S/C15H29O10P3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-23-27(19,20)25-28(21,22)24-26(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H,21,22)(H2,16,17,18)/b14-9+,15-11+", "name": "Farnesyl triphosphate", "names": [ "Farnesyl triphosphate" ] }, { "compound_id": "C03117", "inchi": "InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1", "name": "GDP-6-deoxy-D-mannose", "names": [ "GDP-6-deoxy-D-mannose", "GDP-D-rhamnose" ] }, { "compound_id": "C03120", "inchi": null, "name": "Glycerophosphodiester", "names": [ "Glycerophosphodiester" ] }, { "compound_id": "C03121", "inchi": null, "name": "Glycoprotein inositol", "names": [ "Glycoprotein inositol" ] }, { "compound_id": "C03122", "inchi": null, "name": "Haloaromatic compound", "names": [ "Haloaromatic compound" ] }, { "compound_id": "C03124", "inchi": "InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1", "name": "beta-L-Aspartylhydroxamate", "names": [ "beta-L-Aspartylhydroxamate" ] }, { "compound_id": "C03125", "inchi": null, "name": "L-Cysteinyl-tRNA(Cys)", "names": [ "L-Cysteinyl-tRNA(Cys)" ] }, { "compound_id": "C03126", "inchi": "InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6?/m0/s1", "name": "L-Iduronate 2-sulfate", "names": [ "L-Iduronate 2-sulfate" ] }, { "compound_id": "C03127", "inchi": null, "name": "L-Isoleucyl-tRNA(Ile)", "names": [ "L-Isoleucyl-tRNA(Ile)", "L-isoleucyl-tRNA-ile", "l-isoleucyl-trna-ile" ] }, { "compound_id": "C03129", "inchi": null, "name": "Long-chain acid anion", "names": [ "Long-chain acid anion" ] }, { "compound_id": "C03130", "inchi": null, "name": "Lower primary alcohol", "names": [ "Lower primary alcohol" ] }, { "compound_id": "C03134", "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3", "name": "N,N-Dimethylformamide", "names": [ "DMF", "N,N-Dimethylformamide", "N,N-Dimethylmethanamide" ] }, { "compound_id": "C03135", "inchi": null, "name": "N-Acetyl-D-amino acid", "names": [ "N-Acetyl-D-amino acid" ] }, { "compound_id": "C03136", "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5?,6?,7?,8?/m1/s1", "name": "N-Acetyl-D-hexosamine", "names": [ "N-Acetyl-D-hexosamine" ] }, { "compound_id": "C03137", "inchi": "InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m1/s1", "name": "N-Acetyl-D-tryptophan", "names": [ "N-Acetyl-D-tryptophan" ] }, { "compound_id": "C03139", "inchi": "InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1", "name": "N-Amidino-L-aspartate", "names": [ "Guanidinosuccinic acid", "N-Amidino-L-aspartate", "N-Amidino-L-aspartic acid" ] }, { "compound_id": "C03140", "inchi": "InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1", "name": "N-Amidino-L-glutamate", "names": [ "N-Amidino-L-glutamate" ] }, { "compound_id": "C03141", "inchi": "InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)", "name": "N-Benzoylanthranilate", "names": [ "2-Benzoylaminobenzoic acid", "N-Benzoylanthranilate" ] }, { "compound_id": "C03142", "inchi": "InChI=1S/C12H17NO5/c14-6-8-9(15)10(16)11(17)12(18-8)13-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9-,10+,11-,12-/m1/s1", "name": "N-D-Glucosylarylamine", "names": [ "N-D-Glucosylarylamine" ] }, { "compound_id": "C03145", "inchi": "InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1", "name": "N-Formylmethionine", "names": [ "N-Formyl-L-methionine", "N-Formylmethionine" ] }, { "compound_id": "C03146", "inchi": "InChI=1S/C8H15NO7/c10-1-3-6(13)7(14)5(8(15)16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5-,6-,7-,8-/m1/s1", "name": "N-Glycolyl-D-glucosamine", "names": [ "N-Glycolyl-D-glucosamine" ] }, { "compound_id": "C03147", "inchi": "InChI=1S/C10H9NO5/c12-8(5-9(13)14)11-7-4-2-1-3-6(7)10(15)16/h1-4H,5H2,(H,11,12)(H,13,14)(H,15,16)", "name": "N-Malonylanthranilate", "names": [ "N-Malonylanthranilate" ] }, { "compound_id": "C03148", "inchi": null, "name": "N-Methyl-L-amino acid", "names": [ "N-Methyl-L-amino acid" ] }, { "compound_id": "C03149", "inchi": "InChI=1S/C3H10N3O6PS/c4-3(6-13(7,8)9)5-1-2-14(10,11)12/h1-2H2,(H,10,11,12)(H5,4,5,6,7,8,9)", "name": "N-Phosphotaurocyamine", "names": [ "N(omega)-Phosphotaurocyamine", "N-Phosphotaurocyamine", "Phosphotaurocyamine", "Taurocyamine phosphate", "n-w-phosphotaurocyamine", "phosphotaurocyamine" ] }, { "compound_id": "C03150", "inchi": "InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1", "name": "Nicotinamide-beta-riboside", "names": [ "1-(beta-D-Ribofuranosyl)nicotinamide", "N-Ribosylnicotinamide", "Nicotinamide-beta-riboside", "nicotinamide riboside" ] }, { "compound_id": "C03151", "inchi": null, "name": "N2-Acylated Arg-CH2Cl", "names": [ "N2-Acylated Arg-CH2Cl" ] }, { "compound_id": "C03152", "inchi": null, "name": "N2-Acylated Lys-CH2Cl", "names": [ "N2-Acylated Lys-CH2Cl" ] }, { "compound_id": "C03153", "inchi": "InChI=1S/C6H12N2O3/c1-8-5(9)3-2-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1", "name": "N5-Methyl-L-glutamine", "names": [ "N5-Methyl-L-glutamine" ] }, { "compound_id": "C03154", "inchi": "InChI=1S/C20H39N5O11/c1-5(27)25-3-8-13(29)14(30)11(24)19(33-8)35-17-6(21)2-7(22)18(16(17)32)36-20-15(31)10(23)12(28)9(4-26)34-20/h6-20,26,28-32H,2-4,21-24H2,1H3,(H,25,27)/t6-,7+,8+,9+,10-,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1", "name": "N6'-Acetylkanamycin-B", "names": [ "N6'-Acetylkanamycin-B" ] }, { "compound_id": "C03156", "inchi": "InChI=1S/C16H18O11/c1-26-9-6-7(2-4-8(9)17)3-5-10(18)27-14(16(24)25)12(20)11(19)13(21)15(22)23/h2-6,11-14,17,19-21H,1H3,(H,22,23)(H,24,25)/b5-3+/t11-,12+,13+,14-/m1/s1", "name": "O-Feruloylgalactarate", "names": [ "2'-(E)-O-Feruloylgalactaric acid", "O-Feruloylgalactarate", "O-Feruloylgalactaric acid" ] }, { "compound_id": "C03157", "inchi": null, "name": "O-Phospho-tau-protein", "names": [ "O-Phospho-tau-protein" ] }, { "compound_id": "C03160", "inchi": "InChI=1S/C32H44N7O20P3S/c1-32(2,26(44)29(45)35-10-9-21(41)34-11-12-63-22(42)8-7-19(40)17-5-3-4-6-18(17)31(46)47)14-56-62(53,54)59-61(51,52)55-13-20-25(58-60(48,49)50)24(43)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h3-6,15-16,20,24-26,30,43-44H,7-14H2,1-2H3,(H,34,41)(H,35,45)(H,46,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t20-,24-,25-,26?,30-/m1/s1", "name": "2-Succinylbenzoyl-CoA", "names": [ "2-Succinylbenzoyl-CoA", "Succinylbenzoyl-CoA", "o-Succinylbenzoyl-CoA" ] }, { "compound_id": "C03161", "inchi": null, "name": "Oxidized flavoprotein", "names": [ "Oxidized flavoprotein" ] }, { "compound_id": "C03162", "inchi": null, "name": "Oxidized plastocyanin", "names": [ "Oxidized plastocyanin" ] }, { "compound_id": "C03164", "inchi": "InChI=1S/C14H10O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,15-16H", "name": "Phenanthrene-3,4-diol", "names": [ "3,4-Dihydroxyphenanthrene", "Phenanthrene-3,4-diol" ] }, { "compound_id": "C03166", "inchi": "InChI=1S/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11)", "name": "Phosphoguanidinoacetate", "names": [ "Guanidinoacetate phosphate", "Phosphoguanidinoacetate" ] }, { "compound_id": "C03167", "inchi": "InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)", "name": "Phosphonoacetaldehyde", "names": [ "2-Oxoethylphosphonate", "2-Phosphonoacetaldehyde", "Phosphonoacetaldehyde" ] }, { "compound_id": "C03168", "inchi": null, "name": "Poly(D-galactosamine)", "names": [ "Poly(D-galactosamine)" ] }, { "compound_id": "C03169", "inchi": "InChI=1S/C9H13N2O4/c12-4-6-7(13)8(14)9(15-6)11-3-1-2-10-5-11/h1-3,5-9,12-14H,4H2/q+1/t6-,7-,8-,9-/m1/s1", "name": "Pyrimidine nucleoside", "names": [ "N-D-Ribosylpyrimidine", "Pyrimidine nucleoside" ] }, { "compound_id": "C03170", "inchi": "InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1", "name": "Trypanothione disulfide", "names": [ "Oxidized trypanothione", "Trypanothione disulfide" ] }, { "compound_id": "C03172", "inchi": "InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1", "name": "S-Methyl-L-methionine", "names": [ "S-Methyl-L-methionine" ] }, { "compound_id": "C03173", "inchi": "InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)", "name": "S-Methylthioglycolate", "names": [ "(Methylthio)acetic acid", "S-Methylthioglycolate" ] }, { "compound_id": "C03174", "inchi": "InChI=1S/C14H21N3O9S/c15-7(14(25)26)1-2-9(18)17-8(13(24)16-5-11(21)22)6-27-12(23)4-3-10(19)20/h7-8H,1-6,15H2,(H,16,24)(H,17,18)(H,19,20)(H,21,22)(H,25,26)/t7-,8-/m0/s1", "name": "S-Succinylglutathione", "names": [ "S-Succinylglutathione" ] }, { "compound_id": "C03175", "inchi": "InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1", "name": "Shikimate 3-phosphate", "names": [ "Shikimate 3-phosphate", "Shikimate 5-phosphate" ] }, { "compound_id": "C03176", "inchi": "InChI=1S/C19H32O2/c1-18-9-3-4-16(18)15-6-5-13-12-14(21-20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3", "name": "Steroid hydroperoxide", "names": [ "Steroid hydroperoxide" ] }, { "compound_id": "C03177", "inchi": "InChI=1S/C6H15N2O7P/c7-1-3(9)2(8)5(11)6(4(1)10)15-16(12,13)14/h1-6,9-11H,7-8H2,(H2,12,13,14)/t1-,2+,3-,4+,5-,6-", "name": "Streptamine phosphate", "names": [ "Streptamine phosphate" ] }, { "compound_id": "C03178", "inchi": "InChI=1S/C6H4N4O4/c11-3-1-2(9-6(14)10-3)8-5(13)4(12)7-1/h(H,7,12)(H3,8,9,10,11,13,14)", "name": "Tetrahydroxypteridine", "names": [ "Tetrahydroxypteridine" ] }, { "compound_id": "C03179", "inchi": null, "name": "Transferrin[Fe(III)]2", "names": [ "Transferrin[Fe(III)]2" ] }, { "compound_id": "C03183", "inchi": "InChI=1S/C28H39N5O8/c1-18(2)14-20(25(36)29-15-23(34)33-13-7-11-22(33)27(38)39)31-26(37)21-10-6-12-32(21)24(35)16-30-28(40)41-17-19-8-4-3-5-9-19/h3-5,8-9,18,20-22H,6-7,10-17H2,1-2H3,(H,29,36)(H,30,40)(H,31,37)(H,38,39)/t20-,21-,22-/m0/s1", "name": "Z-Gly-Pro-Leu-Gly-Pro", "names": [ "Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline", "N-[(Phenylmethoxy)carbonyl]glycyl-L-prolyl-L-leucylglycyl-L-proline", "Z-Gly-Pro-Leu-Gly-Pro" ] }, { "compound_id": "C03184", "inchi": "InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;", "name": "Zinc protoporphyrin-9", "names": [ "Zinc protoporphyrin", "Zinc protoporphyrin-9" ] }, { "compound_id": "C03185", "inchi": null, "name": "[Glycogen-synthase D]", "names": [ "[Glycogen-synthase D]" ] }, { "compound_id": "C03186", "inchi": null, "name": "[Glycogen-synthase I]", "names": [ "[Glycogen-synthase I]" ] }, { "compound_id": "C03187", "inchi": "InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11+,12+,13+,15+/m0/s1", "name": "dTDP-6-deoxy-L-talose", "names": [ "dTDP-6-deoxy-L-talose" ] }, { "compound_id": "C03188", "inchi": "InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19?,23-/m1/s1", "name": "omega-Carboxyacyl-CoA", "names": [ "omega-Carboxyacyl-CoA" ] }, { "compound_id": "C03189", "inchi": "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)", "name": "DL-Glycerol 1-phosphate", "names": [ "DL-Glycerol 1-phosphate", "DL-Glycerol 3-phosphate", "DL-Glyceryl 1-phosphate", "Glycerol 1-phosphate", "rac-Glycerol 1-phosphate" ] }, { "compound_id": "C03190", "inchi": "InChI=1S/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/t7?,8-,10?/m0/s1", "name": "(+)-Bornyl-diphosphate", "names": [ "(+)-Bornyl diphosphate", "(+)-Bornyl-diphosphate" ] }, { "compound_id": "C03193", "inchi": null, "name": "(5-L-Glutamyl)-peptide", "names": [ "(5-L-Glutamyl)-peptide" ] }, { "compound_id": "C03194", "inchi": "InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1", "name": "(R)-1-Aminopropan-2-ol", "names": [ "(R)-1-Amino-2-propanol", "(R)-1-Aminopropan-2-ol" ] }, { "compound_id": "C03195", "inchi": "InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1", "name": "(R)-10-Hydroxystearate", "names": [ "(R)-10-Hydroxystearate" ] }, { "compound_id": "C03196", "inchi": "InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1", "name": "(S)-2-Hydroxyglutarate", "names": [ "(S)-2-Hydroxyglutarate" ] }, { "compound_id": "C03197", "inchi": "InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1", "name": "(S)-3-Hydroxybutanoate", "names": [ "(S)-3-Hydroxybutanoate" ] }, { "compound_id": "C03198", "inchi": "InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1", "name": "(S)-4-Hydroxymandelate", "names": [ "(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate", "(S)-4-Hydroxymandelate" ] }, { "compound_id": "C03199", "inchi": "InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3/t21-/m0/s1", "name": "1,2-Didecanoylglycerol", "names": [ "1,2-Didecanoyl-sn-glycerol", "1,2-Didecanoylglycerol" ] }, { "compound_id": "C03200", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1", "name": "1,3-beta-D-Oligoglucan", "names": [ "1,3-beta-D-Oligoglucan" ] }, { "compound_id": "C03201", "inchi": null, "name": "1-Alkyl-2-acylglycerol", "names": [ "1-Alkyl-2-acylglycerol", "2-Acyl-1-alkyl-sn-glycerol" ] }, { "compound_id": "C03203", "inchi": "InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)", "name": "1-Hydroxy-2-naphthoate", "names": [ "1-Hydroxy-2-naphthoate", "1-Hydroxy-2-naphthoic acid", "1-Naphthol-2-carboxylic acid" ] }, { "compound_id": "C03204", "inchi": "InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t13-/m0/s1", "name": "10-Formyldihydrofolate", "names": [ "10-Formyldihydrofolate" ] }, { "compound_id": "C03205", "inchi": "InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1", "name": "11-Deoxycorticosterone", "names": [ "11-Deoxycorticosterone", "21-Hydroxy-4-pregnene-3,20-dione", "Cortexone", "DOC", "Deoxycorticosterone", "Desoxycortone" ] }, { "compound_id": "C03206", "inchi": "InChI=1S/C22H22N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,10,15,25,27,31-32H,7H2,1-3H3,(H2,23,30)/t10-,15-,21+,22-/m0/s1", "name": "5a,11a-Dehydrotetracycline", "names": [ "12-Dehydrotetracycline", "5a,11a-Dehydrotetracycline" ] }, { "compound_id": "C03207", "inchi": "InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1", "name": "16-Dehydroprogesterone", "names": [ "16,17-Didehydroprogesterone", "16-Dehydroprogesterone" ] }, { "compound_id": "C03209", "inchi": "InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H", "name": "2,2'-Dihydroxybiphenyl", "names": [ "2,2'-Dihydroxybiphenyl" ] }, { "compound_id": "C03210", "inchi": "InChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)", "name": "Alanopine", "names": [ "2,2'-Iminodipropanoate", "Alanopine", "meso-N-(1-Carboxyethyl)-alanine" ] }, { "compound_id": "C03212", "inchi": "InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)", "name": "2,4-Dihydroxypteridine", "names": [ "2,4(3H,8H)-Pteridinedione", "2,4-Dihydroxypteridine", "Lumazine", "Pteridine-2,4-dione" ] }, { "compound_id": "C03214", "inchi": "InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)", "name": "2-Amino-3-oxobutanoate", "names": [ "2-Amino-3-oxobutanoate", "2-Amino-acetoacetate" ] }, { "compound_id": "C03215", "inchi": "InChI=1S/C6H12O7/c7-1-3(9)4(10)6(13,2-8)5(11)12/h3-4,7-10,13H,1-2H2,(H,11,12)/t3-,4-,6-/m1/s1", "name": "Hamamelose", "names": [ "2-Carboxy-D-arabinitol", "Hamamelose" ] }, { "compound_id": "C03217", "inchi": "InChI=1S/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)", "name": "2-Hydroxy-3-oxoadipate", "names": [ "2-Hydroxy-3-oxoadipate" ] }, { "compound_id": "C03218", "inchi": "InChI=1S/C11H16N6O4/c1-13-11-15-8(12)5-9(16-11)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1", "name": "2-Methylaminoadenosine", "names": [ "2-Methylaminoadenosine" ] }, { "compound_id": "C03219", "inchi": "InChI=1S/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3/b5-3+", "name": "2-Methylpropanal oxime", "names": [ "2-Methylpropanal oxime", "Isobutanal oxime", "Isobutyraldehyde oxime" ] }, { "compound_id": "C03220", "inchi": "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-", "name": "2-cis,6-trans-Farnesol", "names": [ "2-cis,6-trans-Farnesol" ] }, { "compound_id": "C03221", "inchi": "InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28?,32-/m1/s1", "name": "2-trans-Dodecenoyl-CoA", "names": [ "(2E)-Dodec-2-enoyl-CoA", "(2E)-Dodecenoyl-CoA", "2-trans-Dodecenoyl-CoA" ] }, { "compound_id": "C03223", "inchi": "InChI=1S/C8H6O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)", "name": "3,4-Dihydroxyphthalate", "names": [ "3,4-Dihydroxyphthalate", "3,4-Dihydroxyphthalic acid" ] }, { "compound_id": "C03224", "inchi": "InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1", "name": "3,5-Dibromo-L-tyrosine", "names": [ "3,5-Dibromo-L-tyrosine" ] }, { "compound_id": "C03225", "inchi": "InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1", "name": "3,5-Dinitro-L-tyrosine", "names": [ "3,5-Dinitro-L-tyrosine" ] }, { "compound_id": "C03226", "inchi": "InChI=1S/C53H80O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)52(56)53(57-12)51(49)55/h21,23,25,27,29,31,33,35,37,56H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+", "name": "3-Demethylubiquinone-9", "names": [ "3-Demethylubiquinone-9" ] }, { "compound_id": "C03227", "inchi": "InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1", "name": "3-Hydroxy-L-kynurenine", "names": [ "3-Hydroxy-L-kynurenine" ] }, { "compound_id": "C03228", "inchi": "InChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h5,7H,1-4H2", "name": "3-Hydroxycyclohexanone", "names": [ "3-Hydroxycyclohexanone" ] }, { "compound_id": "C03230", "inchi": "InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-6,10-11,13H", "name": "(Indol-3-yl)glycolaldehyde", "names": [ "(Indol-3-yl)glycolaldehyde", "3-Indoleglycolaldehyde" ] }, { "compound_id": "C03231", "inchi": "InChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h9,12-13,15,20-22,26,39-40H,4-8,10-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b14-9+/t15-,20-,21-,22?,26-/m1/s1", "name": "3-Methylglutaconyl-CoA", "names": [ "(E)-3-Methylglutaconyl-1-CoA", "3-Methylglutaconyl-CoA", "trans-3-Methylglutaconyl-CoA" ] }, { "compound_id": "C03232", "inchi": "InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)", "name": "3-Phosphonooxypyruvate", "names": [ "3-Phosphohydroxypyruvate", "3-Phosphohydroxypyruvic acid", "3-Phosphonooxypyruvate", "3-Phosphonooxypyruvic acid" ] }, { "compound_id": "C03233", "inchi": "InChI=1S/C8H6O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,9-10H,(H,11,12)(H,13,14)", "name": "4,5-Dihydroxyphthalate", "names": [ "4,5-Dihydroxyphthalate", "4,5-Dihydroxyphthalic acid" ] }, { "compound_id": "C03235", "inchi": "InChI=1S/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)", "name": "4-Hydroxypheoxyacetate", "names": [ "4-Hydroxypheoxyacetate" ] }, { "compound_id": "C03236", "inchi": null, "name": "5'-Phosphodinucleotide", "names": [ "5'-Phosphodinucleotide" ] }, { "compound_id": "C03237", "inchi": "InChI=1S/C26H44N7O18P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-10-55-17(36)5-3-4-9-34)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,34,37-38H,3-12H2,1-2H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t15-,19-,20-,21?,25-/m1/s1", "name": "5-Hydroxypentanoyl-CoA", "names": [ "5-Hydroxypentanoyl-CoA" ] }, { "compound_id": "C03238", "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "5alpha-Cholestan-3-one", "names": [ "5alpha-Cholestan-3-one" ] }, { "compound_id": "C03239", "inchi": "InChI=1S/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10)", "name": "6-Amino-2-oxohexanoate", "names": [ "2-Oxo-6-aminocaproate", "6-Amino-2-oxohexanoate" ] }, { "compound_id": "C03240", "inchi": "InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1", "name": "6-Deoxyerythronolide B", "names": [ "6-Deoxyerythronolide B" ] }, { "compound_id": "C03241", "inchi": "InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9-5/h5,7H,1-4H2", "name": "6-Hydroxyhexan-6-olide", "names": [ "6-Hydroxy-6-hexanolactone", "6-Hydroxyhexan-6-olide" ] }, { "compound_id": "C03242", "inchi": "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-", "name": "(8Z,11Z,14Z)-Icosatrienoic acid", "names": [ "(8Z,11Z,14Z)-Icosatrienoic acid", "(Z,Z,Z)-8,11,14-Eicosatrienoate", "(Z,Z,Z)-8,11,14-Eicosatrienoic acid", "(Z,Z,Z)-8,11,14-Icosatrienoate", "(Z,Z,Z)-8,11,14-Icosatrienoic acid", "8,11,14-Eicosatrienoate", "8,11,14-Icosatrienoate", "Dihomo-gamma-linolenic acid" ] }, { "compound_id": "C03243", "inchi": "InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H", "name": "9,10-Phenanthroquinone", "names": [ "9,10-Phenanthrenedione", "9,10-Phenanthroquinone", "Phenanthraquinone", "Phenanthrenequinone" ] }, { "compound_id": "C03245", "inchi": null, "name": "ADP-D-ribosyl-acceptor", "names": [ "(ADP-D-ribosyl)n+1-acceptor", "(ADP-D-ribosyl)n-acceptor", "ADP-D-ribosyl-acceptor" ] }, { "compound_id": "C03246", "inchi": "InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", "name": "ADPribose 2'-phosphate", "names": [ "ADPribose 2'-phosphate" ] }, { "compound_id": "C03248", "inchi": "InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)", "name": "Acetylenedicarboxylate", "names": [ "2-Butynedioic acid", "Acetylenedicarboxylate", "Acetylenedicarboxylic acid" ] }, { "compound_id": "C03251", "inchi": "InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1", "name": "Aldohexose 6-phosphate", "names": [ "Aldohexose 6-phosphate" ] }, { "compound_id": "C03254", "inchi": null, "name": "Aryl dialkyl phosphate", "names": [ "Aryl dialkyl phosphate" ] }, { "compound_id": "C03256", "inchi": "InChI=1S/C24H29NO4/c25-16-19-6-11-21(12-7-19)24(27)29-22-13-8-18(9-14-22)10-15-23(26)28-17-20-4-2-1-3-5-20/h1-5,8-9,13-14,19,21H,6-7,10-12,15-17,25H2/t19-,21-", "name": "Cetraxate benzyl ester", "names": [ "Cetraxate benzyl ester" ] }, { "compound_id": "C03259", "inchi": null, "name": "Coagulation Factor IXa", "names": [ "Coagulation Factor IXa" ] }, { "compound_id": "C03260", "inchi": null, "name": "Coagulation Factor VII", "names": [ "Coagulation Factor VII" ] }, { "compound_id": "C03263", "inchi": "InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)", "name": "Coproporphyrinogen III", "names": [ "Coproporphyrinogen III" ] }, { "compound_id": "C03264", "inchi": "InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1", "name": "D-2-Hydroxyisocaproate", "names": [ "D-2-Hydroxyisocaproate" ] }, { "compound_id": "C03267", "inchi": "InChI=1S/C6H13O9P/c7-1-3-4(9)5(10)6(2-8,14-3)15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1", "name": "beta-D-Fructose 2-phosphate", "names": [ "beta-D-Fructofuranose 2-phosphate", "beta-D-Fructose 2-phosphate" ] }, { "compound_id": "C03268", "inchi": null, "name": "D-Mannosylglycoprotein", "names": [ "D-Mannosylglycoprotein", "Glycoprotein D-mannose" ] }, { "compound_id": "C03269", "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1-6,8-11H/t2-,3+,4+,5-,6?/m1/s1", "name": "D-galacto-Hexodialdose", "names": [ "D-galacto-Hexodialdose" ] }, { "compound_id": "C03272", "inchi": null, "name": "Globoside", "names": [ "Globoside", "Globoside I", "N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide", "N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide" ] }, { "compound_id": "C03273", "inchi": "InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)", "name": "5-Oxopentanoate", "names": [ "5-Oxopentanoate", "Glutarate semialdehyde" ] }, { "compound_id": "C03274", "inchi": "InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)", "name": "Glycerophosphoglycerol", "names": [ "Glycerophosphoglycerol" ] }, { "compound_id": "C03277", "inchi": "InChI=1S/C6H6N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3H,1H2,(H,7,8)(H,10,11)", "name": "Imidazol-5-yl-pyruvate", "names": [ "3-(Imidazol-5-yl)pyruvate", "Imidazol-5-yl-pyruvate", "Imidazole pyruvate", "Imidazole pyruvic acid" ] }, { "compound_id": "C03280", "inchi": "InChI=1S/C11H12N4O7/c16-6-4(1-21-11(19)20)22-10(7(6)17)15-3-14-5-8(15)12-2-13-9(5)18/h2-4,6-7,10,16-17H,1H2,(H,19,20)(H,12,13,18)/t4-,6-,7-,10-/m1/s1", "name": "Inosine-5'-carboxylate", "names": [ "Inosine-5'-carboxylate" ] }, { "compound_id": "C03281", "inchi": "InChI=1S/C18H37N4O14P/c19-2-6-10(25)16(36-37(29,30)31)13(28)18(32-6)35-15-5(21)1-4(20)14(12(15)27)34-17-11(26)8(22)9(24)7(3-23)33-17/h4-18,23-28H,1-3,19-22H2,(H2,29,30,31)/t4-,5+,6-,7-,8+,9-,10-,11-,12-,13-,14+,15-,16+,17-,18-/m1/s1", "name": "Kanamycin A 3'-phosphate", "names": [ "Kanamycin 3'-phosphate", "Kanamycin A 3'-phosphate" ] }, { "compound_id": "C03283", "inchi": "InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1", "name": "L-2,4-Diaminobutanoate", "names": [ "L-2,4-Diaminobutanoate", "L-2,4-Diaminobutyrate", "alpha,gamma-Diaminobutyrate" ] }, { "compound_id": "C03284", "inchi": "InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1", "name": "L-3-Amino-isobutanoate", "names": [ "(S)-3-Amino-2-methylpropanoate", "(S)-3-Amino-isobutanoate", "(S)-3-Amino-isobutyrate", "L-3-Amino-isobutanoate", "L-3-Amino-isobutyrate" ] }, { "compound_id": "C03287", "inchi": "InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1", "name": "L-Glutamyl 5-phosphate", "names": [ "L-Glutamate 5-phosphate", "L-Glutamyl 5-phosphate" ] }, { "compound_id": "C03289", "inchi": "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2/t2-,3+,5+/m0/s1", "name": "L-xylo-Hexulonolactone", "names": [ "L-xylo-Hex-2-ulono-1,4-lactone", "L-xylo-Hexulonolactone" ] }, { "compound_id": "C03290", "inchi": "InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1", "name": "L-threo-3-Phenylserine", "names": [ "L-threo-3-Phenylserine" ] }, { "compound_id": "C03291", "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m0/s1", "name": "L-Xylulose 5-phosphate", "names": [ "L-Xylulose 5-phosphate" ] }, { "compound_id": "C03292", "inchi": "InChI=1S/C17H24N2O4S/c1-11(2)8-14(17(22)23)19-16(21)13(18-15(20)10-24)9-12-6-4-3-5-7-12/h3-7,11,13-14,24H,8-10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t13-,14-/m0/s1", "name": "Mercaptoacetyl-Phe-Leu", "names": [ "Mercaptoacetyl-Phe-Leu" ] }, { "compound_id": "C03293", "inchi": "InChI=1S/C17H19N6O8P/c18-14-11-15(20-6-19-14)23(7-21-11)16-13(25)12(24)10(31-16)5-30-32(28,29)22-9-4-2-1-3-8(9)17(26)27/h1-4,6-7,10,12-13,16,24-25H,5H2,(H,26,27)(H2,18,19,20)(H2,22,28,29)/t10-,12-,13-,16-/m1/s1", "name": "N-Adenylylanthranilate", "names": [ "N-Adenylylanthranilate" ] }, { "compound_id": "C03294", "inchi": null, "name": "N-Formylmethionyl-tRNA", "names": [ "N-Formylmethionyl-tRNA" ] }, { "compound_id": "C03296", "inchi": "InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1", "name": "N2-Succinyl-L-arginine", "names": [ "(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid", "N2-Succinyl-L-arginine" ] }, { "compound_id": "C03297", "inchi": null, "name": "N3-Acetylgentamicin C", "names": [ "3-N-Acetylgentamicin C", "N3'-Acetylgentamicin C", "N3-Acetylgentamicin C" ] }, { "compound_id": "C03298", "inchi": "InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1", "name": "Nalpha-Methylhistidine", "names": [ "N-Methyl-L-histidine", "Nalpha-Methylhistidine" ] }, { "compound_id": "C03299", "inchi": "InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3/t15-/m1/s1", "name": "O-Decanoyl-L-carnitine", "names": [ "O-Decanoyl-L-carnitine" ] }, { "compound_id": "C03300", "inchi": "InChI=1S/C15H21N5O5/c1-8(4-24-15-12(23)11(22)9(21)5-25-15)2-3-16-13-10-14(18-6-17-10)20-7-19-13/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H2,16,17,18,19,20)/b8-2+/t9-,11+,12-,15-/m1/s1", "name": "O-beta-D-Xylosylzeatin", "names": [ "O-beta-D-Xylosylzeatin", "O-beta-D-Xyloxylzeatin" ] }, { "compound_id": "C03302", "inchi": null, "name": "Oxidized putidaredoxin", "names": [ "Oxidized putidaredoxin" ] }, { "compound_id": "C03303", "inchi": null, "name": "Peptidylamidoglycolate", "names": [ "Peptidyl(2-hydroxyglycine)", "Peptidylamidoglycolate" ] }, { "compound_id": "C03305", "inchi": "InChI=1S/C15H16N2O/c18-15(14-6-3-9-16-14)17-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14,16H,3,6,9H2,(H,17,18)", "name": "Prolyl-2-naphthylamide", "names": [ "Prolyl-2-naphthylamide" ] }, { "compound_id": "C03306", "inchi": null, "name": "Protein L-isoaspartate", "names": [ "Protein L-isoaspartate" ] }, { "compound_id": "C03309", "inchi": "InChI=1S/C21H24N2O4/c1-3-12-15(16(20(24)26-2)11-27-21(12)25)10-18-19-14(8-9-22-18)13-6-4-5-7-17(13)23-19/h3-7,11-12,15,18,21-23,25H,1,8-10H2,2H3/t12-,15+,18+,21-/m1/s1", "name": "Strictosidine aglycone", "names": [ "Strictosidine aglycone" ] }, { "compound_id": "C03311", "inchi": "InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2", "name": "Thien-2-ylacetonitrile", "names": [ "Thien-2-ylacetonitrile" ] }, { "compound_id": "C03312", "inchi": "InChI=1S/C10H13N4O10P/c15-4-2(1-23-25(20,21)22)24-8(5(4)16)14-6-3(11-10(14)19)7(17)13-9(18)12-6/h2,4-5,8,15-16H,1H2,(H,11,19)(H2,20,21,22)(H2,12,13,17,18)/t2-,4-,5-,8-/m1/s1", "name": "Urate D-ribonucleotide", "names": [ "Urate D-ribonucleotide" ] }, { "compound_id": "C03313", "inchi": "InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1", "name": "Phylloquinol", "names": [ "Phylloquinol", "Phytonadiol", "Vitamin K1 hydroquinone" ] }, { "compound_id": "C03314", "inchi": "InChI=1S/C6H4N4O4/c11-4-1-2(9-6(14)10-4)8-3(7-1)5(12)13/h(H,12,13)(H3,7,8,9,10,11,14)", "name": "Xanthine-8-carboxylate", "names": [ "Xanthine-8-carboxylate" ] }, { "compound_id": "C03315", "inchi": null, "name": "[Dinitrogen reductase]", "names": [ "[Dinitrogen reductase]" ] }, { "compound_id": "C03317", "inchi": null, "name": "alpha-Amino acid ester", "names": [ "alpha-Amino acid ester" ] }, { "compound_id": "C03318", "inchi": null, "name": "alpha-Tubulin L-lysine", "names": [ "alpha-Tubulin L-lysine" ] }, { "compound_id": "C03319", "inchi": "InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15+/m0/s1", "name": "dTDP-6-deoxy-L-mannose", "names": [ "dTDP-6-deoxy-L-mannose", "dTDP-L-rhamnose" ] }, { "compound_id": "C03323", "inchi": "InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1", "name": "(2,1-beta-D-Fructosyl)n", "names": [ "(1,2-beta-D-Fructosyl)m", "(1,2-beta-D-Fructosyl)m-1", "(1,2-beta-D-Fructosyl)n", "(1,2-beta-D-Fructosyl)n+1", "(2,1-beta-D-Fructosyl)n", "(2,1-beta-D-Fructosyl)n+1", "Inulin" ] }, { "compound_id": "C03325", "inchi": "InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12?,13-,14?,15?,16?/m0/s1", "name": "(6S)-Hydroxyhyoscyamine", "names": [ "(6S)-6-Hydroxyhyoscyamine", "(6S)-Hydroxyhyoscyamine" ] }, { "compound_id": "C03326", "inchi": "InChI=1S/C16H28N4O6/c1-9(14(23)19-10(2)16(25)26)18-15(24)13(20-12(4)22)7-5-6-8-17-11(3)21/h9-10,13H,5-8H2,1-4H3,(H,17,21)(H,18,24)(H,19,23)(H,20,22)(H,25,26)/t9-,10-,13+/m1/s1", "name": "(Ac)2-L-Lys-D-Ala-D-Ala", "names": [ "(Ac)2-L-Lys-D-Ala-D-Ala", "(Ac)2-L-lysyl-D-alanyl-D-alanine" ] }, { "compound_id": "C03328", "inchi": "InChI=1S/C7H12O5/c1-2-3-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)/t7-/m1/s1", "name": "(R)-2-(n-Propyl)-malate", "names": [ "(R)-2-(n-Propyl)-malate" ] }, { "compound_id": "C03329", "inchi": "InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1", "name": "(S)-Canadine", "names": [ "(13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine", "(S)-Canadine", "(S)-Tetrahydroberberine" ] }, { "compound_id": "C03330", "inchi": null, "name": "(Ubiquitin)n-calmodulin", "names": [ "(Ubiquitin)n-calmodulin" ] }, { "compound_id": "C03336", "inchi": null, "name": "17alpha-Hydroxysteroid", "names": [ "17alpha-Hydroxysteroid" ] }, { "compound_id": "C03338", "inchi": "InChI=1S/C7H8O3/c1-4-2-5(8)3-6(9)7(4)10/h2-3,8-10H,1H3", "name": "2,3,5-Trihydroxytoluene", "names": [ "2,3,5-Trihydroxytoluene" ] }, { "compound_id": "C03339", "inchi": "InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)", "name": "2,3-Bisphosphoglycerate", "names": [ "2,3-Bisphosphoglycerate", "Greenwald ester" ] }, { "compound_id": "C03340", "inchi": "InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12)/t5-/m0/s1", "name": "L-2,3-Dihydrodipicolinate", "names": [ "(S)-2,3-Dihydropyridine-2,6-dicarboxylate", "2,3-Dihydrodipicolinate", "Dihydrodipicolinate", "Dihydrodipicolinic acid", "L-2,3-Dihydrodipicolinate" ] }, { "compound_id": "C03341", "inchi": "InChI=1S/C5H9NO3/c1-3(7)2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m1/s1", "name": "2-Amino-4-oxopentanoic acid", "names": [ "2-Amino-4-oxopentanoate", "2-Amino-4-oxopentanoic acid" ] }, { "compound_id": "C03342", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)", "name": "2-Dehydro-D-galactonate", "names": [ "2-Dehydro-D-galactonate" ] }, { "compound_id": "C03343", "inchi": "InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)", "name": "2-Ethylhexyl phthalate", "names": [ "2-Ethylhexyl phthalate" ] }, { "compound_id": "C03344", "inchi": "InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13?,15-,18-,19-,20?,24-/m1/s1", "name": "2-Methylacetoacetyl-CoA", "names": [ "2-Methyl-3-acetoacetyl-CoA", "2-Methylacetoacetyl-CoA" ] }, { "compound_id": "C03345", "inchi": "InChI=1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b14-5+/t15-,18-,19-,20?,24-/m1/s1", "name": "2-Methylbut-2-enoyl-CoA", "names": [ "(E)-2-Methylcrotonoyl-CoA", "2-Methylbut-2-enoyl-CoA", "2-Methylcrotanoyl-CoA", "Methylcrotonoyl-CoA", "Methylcrotonyl-CoA", "Tigloyl-CoA", "Tiglyl-CoA", "trans-2-Methylbut-2-enoyl-CoA" ] }, { "compound_id": "C03347", "inchi": "InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1", "name": "3,5-Dichloro-L-tyrosine", "names": [ "3,5-Dichloro-L-tyrosine" ] }, { "compound_id": "C03348", "inchi": "InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m0/s1", "name": "3,6-Dideoxy-L-galactose", "names": [ "3,6-Dideoxy-L-galactose", "3,6-Dideoxy-L-xylo-hexose", "Colitose" ] }, { "compound_id": "C03349", "inchi": "InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)", "name": "3-Aminopropanesulfonate", "names": [ "3-Amino-1-propanesulfonic acid", "3-Aminopropanesulfonate" ] }, { "compound_id": "C03351", "inchi": "InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2", "name": "3-Hydroxybenzyl alcohol", "names": [ "3-Hydroxybenzenemethanol", "3-Hydroxybenzyl alcohol" ] }, { "compound_id": "C03352", "inchi": "InChI=1S/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3", "name": "3-Methoxybenzyl alcohol", "names": [ "3-Anise alcohol", "3-Anisyl alcohol", "3-Methoxybenzyl alcohol" ] }, { "compound_id": "C03354", "inchi": "InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3", "name": "3-Methylthiopropanamine", "names": [ "3-Methylthiopropanamine", "3-Methylthiopropylamine" ] }, { "compound_id": "C03356", "inchi": "InChI=1S/C4H9O8P/c5-1-2(3(6)4(7)8)12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1", "name": "3-Phospho-D-erythronate", "names": [ "3-Phospho-D-erythronate" ] }, { "compound_id": "C03357", "inchi": "InChI=1S/C27H45N8O18P3S/c1-15(36)29-7-4-5-18(38)57-10-9-30-17(37)6-8-31-25(41)22(40)27(2,3)12-50-56(47,48)53-55(45,46)49-11-16-21(52-54(42,43)44)20(39)26(51-16)35-14-34-19-23(28)32-13-33-24(19)35/h13-14,16,20-22,26,39-40H,4-12H2,1-3H3,(H,29,36)(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,28,32,33)(H2,42,43,44)/t16-,20-,21-,22?,26-/m1/s1", "name": "4-Acetamidobutanoyl-CoA", "names": [ "4-Acetamidobutanoyl-CoA" ] }, { "compound_id": "C03359", "inchi": "InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3", "name": "4-Chloro-2-methylphenol", "names": [ "4-Chloro-2-methylphenol" ] }, { "compound_id": "C03360", "inchi": "InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)", "name": "4-Nitrophenyl phosphate", "names": [ "4-Nitrophenyl phosphate" ] }, { "compound_id": "C03361", "inchi": null, "name": "5'-Acylphosphoadenosine", "names": [ "5'-Acylphosphoadenosine" ] }, { "compound_id": "C03363", "inchi": null, "name": "5-L-Glutamyl amino acid", "names": [ "5-L-Glutamyl amino acid", "L-gamma-Glutamyl amino acid" ] }, { "compound_id": "C03365", "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3+,4-,5-,6+,7+", "name": "5-O-Methyl-myo-inositol", "names": [ "1D-5-O-Methyl-myo-inositol", "5-O-Methyl-myo-inositol", "Sequoyitol" ] }, { "compound_id": "C03366", "inchi": "InChI=1S/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/t4-,5+/m1/s1", "name": "5-Phosphonooxy-L-lysine", "names": [ "5-Phosphonooxy-L-lysine", "O-Phosphohydroxy-L-lysine" ] }, { "compound_id": "C03367", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(21)10(24)13(27)18(32-4)34-15-5(2-20)33-17(14(28)11(15)25)30-3-6-8(22)9(23)12(26)16(29)31-6/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16?,17+,18-/m1/s1", "name": "6-alpha-Maltosylglucose", "names": [ "6-alpha-Maltosylglucose" ] }, { "compound_id": "C03368", "inchi": "InChI=1S/C20H38N3O16P/c1-23-7-2-5(21)9(25)15(10(7)26)36-19-17-16(11(27)8(3-24)35-19)38-20(39-17)18(30)13(29)12(28)14(37-20)6(22)4-34-40(31,32)33/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14-,15-,16+,17+,18-,19?,20?/m1/s1", "name": "7''-O-Phosphohygromycin", "names": [ "7''-O-Phosphohygromycin" ] }, { "compound_id": "C03371", "inchi": null, "name": "Acyl-protein thioester", "names": [ "Acyl-protein thioester" ] }, { "compound_id": "C03372", "inchi": null, "name": "Acylglycerone phosphate", "names": [ "1-Acyl-glycerone 3-phosphate", "Acylglycerone phosphate", "Dihydroxyacetone phosphate acyl ester" ] }, { "compound_id": "C03373", "inchi": "InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1", "name": "Aminoimidazole ribotide", "names": [ "1-(5'-Phosphoribosyl)-5-aminoimidazole", "1-(5-Phospho-D-ribosyl)-5-aminoimidazole", "5'-Phosphoribosyl-5-aminoimidazole", "5-Amino-1-(5-phospho-D-ribosyl)imidazole", "AIR", "Aminoimidazole ribotide" ] }, { "compound_id": "C03374", "inchi": "InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13-,27-14-/t32-,33-,34+,35-,39+/m0/s1", "name": "Bilirubin-glucuronoside", "names": [ "Bilirubin monoglucuronide", "Bilirubin-glucuronoside" ] }, { "compound_id": "C03375", "inchi": "InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2", "name": "Norspermidine", "names": [ "3,3'-Iminobispropylamine", "Bis(3-aminopropyl)amine", "Norspermidine" ] }, { "compound_id": "C03378", "inchi": null, "name": "Coagulation Factor VIIa", "names": [ "Coagulation Factor VIIa" ] }, { "compound_id": "C03383", "inchi": "InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m1/s1", "name": "D-Galactono-1,4-lactone", "names": [ "D-Galactono-1,4-lactone", "gamma-D-Galactonolactone" ] }, { "compound_id": "C03384", "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6?/m1/s1", "name": "D-Galactose 1-phosphate", "names": [ "D-Galactose 1-phosphate" ] }, { "compound_id": "C03387", "inchi": "InChI=1S/C6H8O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1-5,8-10H/t2-,3+,4-,5-/m0/s1", "name": "D-Glucurono-6,2-lactone", "names": [ "D-Glucurono-6,2-lactone" ] }, { "compound_id": "C03391", "inchi": null, "name": "DNA 6-methylaminopurine", "names": [ "DNA 6-methylaminopurine" ] }, { "compound_id": "C03392", "inchi": "InChI=1S/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3/p+1", "name": "Dimethylsulfonioacetate", "names": [ "Dimethylsulfonioacetate", "dimethylacetothetin" ] }, { "compound_id": "C03393", "inchi": "InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1", "name": "4-Phospho-D-erythronate", "names": [ "4-Phospho-D-erythronate", "4-Phosphoerythronate" ] }, { "compound_id": "C03394", "inchi": "InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3,5-6H,1-2H2,(H2,8,9,10)/t3-/m0/s1", "name": "Erythrulose 1-phosphate", "names": [ "Erythrulose 1-phosphate" ] }, { "compound_id": "C03395", "inchi": null, "name": "Fatty acid methyl ester", "names": [ "Fatty acid methyl ester" ] }, { "compound_id": "C03400", "inchi": null, "name": "Glycoside of aldohexose", "names": [ "Glycoside of aldohexose" ] }, { "compound_id": "C03401", "inchi": "InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1", "name": "3-Amino-L-Alanine", "names": [ "3-Amino-L-Alanine", "L-2,3-Diaminopropanoate", "L-2,3-Diaminopropanoic acid", "L-2,3-Diaminopropionate", "L-2,3-Diaminopropionic acid" ] }, { "compound_id": "C03402", "inchi": null, "name": "L-Asparaginyl-tRNA(Asn)", "names": [ "Asn-tRNA(Asn)", "Asparaginyl-tRNA(Asn)", "L-Asparaginyl-tRNA(Asn)" ] }, { "compound_id": "C03404", "inchi": "InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1", "name": "L-Tyrosine methyl ester", "names": [ "L-Tyrosine methyl ester" ] }, { "compound_id": "C03405", "inchi": null, "name": "Lactosylceramide sulfate", "names": [ "Lactosylceramide sulfate" ] }, { "compound_id": "C03406", "inchi": "InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1", "name": "N-(L-Arginino)succinate", "names": [ "2-(Nomega-L-Arginino)succinate", "L-Argininosuccinate", "L-Argininosuccinic acid", "L-Arginosuccinic acid", "L-arginosuccinate", "N-(L-Arginino)succinate", "l-arginosuccinate", "n-(l-argino)succinate" ] }, { "compound_id": "C03408", "inchi": "InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4-,5-,6+,8-/m1/s1", "name": "N-Acetylgalactosaminate", "names": [ "N-Acetylgalactosaminate" ] }, { "compound_id": "C03409", "inchi": "InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1", "name": "N-Formimino-L-aspartate", "names": [ "N-Formimidoyl-L-aspartate", "N-Formimino-L-aspartate" ] }, { "compound_id": "C03410", "inchi": "InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5?,7+,8-,9+,11?/m0/s1", "name": "N-Glycoloyl-neuraminate", "names": [ "N-Glycoloyl-neuraminate", "N-Glycolylneuraminate", "NeuNGc" ] }, { "compound_id": "C03411", "inchi": "InChI=1S/C10H18N2O8/c11-3(10(18)19)1-5(14)12-9-8(17)7(16)6(15)4(2-13)20-9/h3-4,6-9,13,15-17H,1-2,11H2,(H,12,14)(H,18,19)/t3-,4+,6+,7-,8+,9+/m0/s1", "name": "N-Glycosyl-L-asparagine", "names": [ "N-Glycosyl-L-asparagine" ] }, { "compound_id": "C03412", "inchi": null, "name": "N-Palmitoylglycoprotein", "names": [ "N-Palmitoylglycoprotein" ] }, { "compound_id": "C03413", "inchi": "InChI=1S/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)", "name": "N1,N12-Diacetylspermine", "names": [ "N1,N12-Diacetylspermine" ] }, { "compound_id": "C03414", "inchi": "InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m1/s1", "name": "N2-Malonyl-D-tryptophan", "names": [ "N2-Malonyl-D-tryptophan" ] }, { "compound_id": "C03415", "inchi": "InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1", "name": "N2-Succinyl-L-ornithine", "names": [ "(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid", "N2-Succinyl-L-ornithine" ] }, { "compound_id": "C03416", "inchi": "InChI=1S/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1", "name": "N6,N6-Dimethyladenosine", "names": [ "N6,N6-Dimethyladenosine" ] }, { "compound_id": "C03417", "inchi": "InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1", "name": "Ngamma-Nitro-L-arginine", "names": [ "Ngamma-Nitro-L-arginine" ] }, { "compound_id": "C03418", "inchi": null, "name": "Nucleoside 2'-phosphate", "names": [ "Nucleoside 2'-phosphate" ] }, { "compound_id": "C03419", "inchi": null, "name": "Nucleoside 3'-phosphate", "names": [ "Nucleoside 3'-phosphate" ] }, { "compound_id": "C03422", "inchi": null, "name": "O-Palmitoylglycoprotein", "names": [ "O-Palmitoylglycoprotein" ] }, { "compound_id": "C03423", "inchi": "InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2+/t9-,11-,12+,13-,16-/m1/s1", "name": "O-beta-D-Glucosylzeatin", "names": [ "O-beta-D-Glucosyl-trans-zeatin", "O-beta-D-Glucosylzeatin", "trans-Zeatin-O-glucoside" ] }, { "compound_id": "C03425", "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-", "name": "Oleic acid methyl ester", "names": [ "Methyl oleate", "Oleic acid methyl ester" ] }, { "compound_id": "C03427", "inchi": "InChI=1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m1/s1", "name": "Prephytoene diphosphate", "names": [ "Prephytoene diphosphate" ] }, { "compound_id": "C03428", "inchi": "InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m1/s1", "name": "Presqualene diphosphate", "names": [ "Presqualene diphosphate" ] }, { "compound_id": "C03429", "inchi": null, "name": "Protein 5-hydroxylysine", "names": [ "Protein 5-hydroxylysine" ] }, { "compound_id": "C03431", "inchi": "InChI=1S/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)/t6-,7+,9+,10+,13+/m0/s1", "name": "S-Inosyl-L-homocysteine", "names": [ "S-Inosyl-L-homocysteine" ] }, { "compound_id": "C03433", "inchi": "InChI=1S/C6H15N2O7P/c7-1-3(9)2(8)6(5(11)4(1)10)15-16(12,13)14/h1-6,9-11H,7-8H2,(H2,12,13,14)/t1-,2+,3-,4+,5-,6-/m1/s1", "name": "Streptamine 4-phosphate", "names": [ "Streptamine 4-phosphate" ] }, { "compound_id": "C03434", "inchi": "InChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H", "name": "Tetrachlorohydroquinone", "names": [ "2,3,5,6-Tetrachlorohydroquinone", "Tetrachlorohydroquinone" ] }, { "compound_id": "C03437", "inchi": null, "name": "beta-D-Fructofuranoside", "names": [ "beta-D-Fructofuranoside" ] }, { "compound_id": "C03438", "inchi": null, "name": "beta-Lactam antibiotics", "names": [ "beta-Lactam antibiotics" ] }, { "compound_id": "C03440", "inchi": "InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1", "name": "cis-4-Hydroxy-D-proline", "names": [ "cis-4-Hydroxy-D-proline" ] }, { "compound_id": "C03442", "inchi": "InChI=1S/C16H26N2O15P2/c1-7-4-18(15(23)17-13(7)22)11-3-9(20)10(31-11)5-29-34(25,26)33-35(27,28)32-14-12(21)16(24,6-19)8(2)30-14/h4,8-12,14,19-21,24H,3,5-6H2,1-2H3,(H,25,26)(H,27,28)(H,17,22,23)/t8-,9-,10+,11+,12-,14+,16+/m0/s1", "name": "dTDP-L-dihydrostreptose", "names": [ "dTDP-L-dihydrostreptose" ] }, { "compound_id": "C03444", "inchi": "InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1", "name": "p-Chloromercuribenzoate", "names": [ "p-Chloromercuribenzoate", "p-Chloromercuribenzoic acid" ] }, { "compound_id": "C03446", "inchi": null, "name": "tRNA containing ribothymidine at position 54", "names": [ "tRNA TpsiC", "tRNA containing ribothymidine at position 54" ] }, { "compound_id": "C03448", "inchi": "InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3", "name": "(+)-exo-5-Hydroxycamphor", "names": [ "(+)-5-exo-hydroxycamphor", "(+)-exo-5-Hydroxycamphor" ] }, { "compound_id": "C03450", "inchi": "InChI=1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)", "name": "(3-Arylcarbonyl)-alanine", "names": [ "(3-Arylcarbonyl)-alanine" ] }, { "compound_id": "C03451", "inchi": "InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1", "name": "(R)-S-Lactoylglutathione", "names": [ "(R)-S-Lactoylglutathione", "S-D-Lactoylglutathione" ] }, { "compound_id": "C03453", "inchi": "InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1,3H,2H2,(H,8,9)(H,10,11)/b3-1-", "name": "gamma-Oxalocrotonate", "names": [ "(Z)-5-Oxohex-2-enedioate", "4-Oxalocrotonate", "gamma-Oxalocrotonate" ] }, { "compound_id": "C03454", "inchi": null, "name": "1-Alkenyl-2-acylglycerol", "names": [ "1-Alkenyl-2-acylglycerol" ] }, { "compound_id": "C03455", "inchi": "InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20-,27-26+,31-22+,32-28+", "name": "11-cis-Retinyl palmitate", "names": [ "11-cis-Retinyl palmitate" ] }, { "compound_id": "C03456", "inchi": null, "name": "2''-Nucleotidylkanamycin", "names": [ "2''-Nucleotidylkanamycin" ] }, { "compound_id": "C03457", "inchi": null, "name": "2''-Nucleotidylsisomicin", "names": [ "2''-Nucleotidylsisomicin" ] }, { "compound_id": "C03458", "inchi": "InChI=1S/C5H5NO3/c7-3-1-2-4(8)6-5(3)9/h1-2,7H,(H2,6,8,9)", "name": "2,3,6-Trihydroxypyridine", "names": [ "2,3,6-Trihydroxypyridine" ] }, { "compound_id": "C03459", "inchi": "InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)", "name": "2-Hydroxy-3-oxosuccinate", "names": [ "2-Hydroxy-3-oxosuccinate", "2-oxo-3-hydroxybutanedioic acid", "2-oxo-3-hydroxysuccinate", "Oxaloglycolate" ] }, { "compound_id": "C03460", "inchi": "InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1", "name": "2-Methylprop-2-enoyl-CoA", "names": [ "2-Methylprop-2-enoyl-CoA", "Methacrylyl-CoA", "Methylacrylyl-CoA" ] }, { "compound_id": "C03461", "inchi": "InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+", "name": "2-trans,6-trans-Farnesal", "names": [ "(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal", "(2E,6E)-Farnesal", "2-trans,6-trans-Farnesal", "Farnesal", "trans,trans-Farnesal" ] }, { "compound_id": "C03462", "inchi": "InChI=1S/C31H51N12O18P/c1-8-31(52,5-45)23(28(56-8)59-21-12(42-30(35)36)17(48)11(41-29(33)34)18(49)19(21)50)60-27-13(37-2)22(16(47)9(3-44)58-27)61-62(53,54)55-4-10-15(46)20(51)26(57-10)43-7-40-14-24(32)38-6-39-25(14)43/h5-13,15-23,26-28,37,44,46-52H,3-4H2,1-2H3,(H,53,54)(H2,32,38,39)(H4,33,34,41)(H4,35,36,42)/t8-,9-,10+,11+,12-,13-,15+,16-,17+,18-,19+,20+,21?,22-,23?,26+,27?,28?,31+/m0/s1", "name": "3''-Adenylylstreptomycin", "names": [ "3''-Adenylylstreptomycin" ] }, { "compound_id": "C03463", "inchi": null, "name": "3'-Phosphopolynucleotide", "names": [ "3'-Phosphopolynucleotide" ] }, { "compound_id": "C03465", "inchi": "InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)", "name": "3-Methyl-2-oxopentanoate", "names": [ "2-Oxo-3-methylvalerate", "3-Methyl-2-oxopentanoate" ] }, { "compound_id": "C03466", "inchi": "InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,36-37H,1,5-11H2,2-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1", "name": "3-Methyl-vinylacetyl-CoA", "names": [ "3-Methyl-vinylacetyl-CoA" ] }, { "compound_id": "C03467", "inchi": "InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)", "name": "beta-Ketoisocaproate", "names": [ "3-Oxo-4-methylpentanoate", "3-Oxo-4-methylpentanoic acid", "beta-Ketoisocaproate", "beta-Ketoisocaproic acid" ] }, { "compound_id": "C03470", "inchi": "InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1", "name": "3-alpha(S)-Strictosidine", "names": [ "3-alpha(S)-Strictosidine", "Strictosidine" ] }, { "compound_id": "C03473", "inchi": "InChI=1S/C8H11NO/c1-6(9)7-2-4-8(10)5-3-7/h2-6,10H,9H2,1H3", "name": "1-(p-Hydroxyphenyl)ethylamine", "names": [ "1-(p-Hydroxyphenyl)ethylamine" ] }, { "compound_id": "C03474", "inchi": "InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H", "name": "4-Nitroquinoline N-oxide", "names": [ "4-Nitroquinoline 1-oxide", "4-Nitroquinoline N-oxide", "Nitrochin" ] }, { "compound_id": "C03475", "inchi": null, "name": "5'-Phosphopolynucleotide", "names": [ "5'-Phosphopolynucleotide" ] }, { "compound_id": "C03476", "inchi": "InChI=1S/C20H15N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8,23,26H,4,21H2,(H,22,25)(H,27,28)(H,29,30)", "name": "5,12-Dihydroxanthommatin", "names": [ "5,12-Dihydroxanthommatin" ] }, { "compound_id": "C03479", "inchi": "InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)", "name": "Folinic acid", "names": [ "5-Formyltetrahydrofolate", "Folinic acid", "L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid", "Leucovorin" ] }, { "compound_id": "C03483", "inchi": "InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "Adenosine tetraphosphate", "names": [ "Adenosine 5'-tetraphosphate", "Adenosine tetraphosphate" ] }, { "compound_id": "C03485", "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2", "name": "Aromatic primary alcohol", "names": [ "Aromatic alcohol", "Aromatic primary alcohol" ] }, { "compound_id": "C03486", "inchi": "InChI=1S/C12H22N4O11P2/c1-14-3-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)16-4-2-8(13)15-12(16)19/h2,4,7,9-11,14,17-18H,3,5-6H2,1H3,(H,20,21)(H,22,23)(H2,13,15,19)/t7-,9-,10-,11-/m1/s1", "name": "CDP-N-methylethanolamine", "names": [ "CDP-N-methylethanolamine" ] }, { "compound_id": "C03491", "inchi": null, "name": "Cyclic alcohol", "names": [ "Cyclic alcohol" ] }, { "compound_id": "C03492", "inchi": "InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1", "name": "D-4'-Phosphopantothenate", "names": [ "(R)-4'-Phosphopantothenate", "D-4'-Phosphopantothenate" ] }, { "compound_id": "C03493", "inchi": "InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1", "name": "D-4-Hydroxyphenylglycine", "names": [ "(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid", "D-4-Hydroxyphenylglycine", "d-(4-hydroxyphenyl)glycine" ] }, { "compound_id": "C03494", "inchi": "InChI=1S/C4H11O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1", "name": "D-Erythritol 4-phosphate", "names": [ "D-Erythritol 4-phosphate", "L-Erythritol 1-phosphate" ] }, { "compound_id": "C03495", "inchi": "InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1", "name": "Deoxy-5-methylcytidylate", "names": [ "5-Methyldeoxycytidine 5'-phosphate", "Deoxy-5-methylcytidylate" ] }, { "compound_id": "C03497", "inchi": null, "name": "Ester of phosphinic acid", "names": [ "Ester of phosphinic acid" ] }, { "compound_id": "C03498", "inchi": null, "name": "Ester of phosphonic acid", "names": [ "Ester of phosphonic acid" ] }, { "compound_id": "C03499", "inchi": "InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m1/s1", "name": "Ethyl (R)-3-hydroxybutanoate", "names": [ "Ethyl (R)-3-hydroxybutanoate" ] }, { "compound_id": "C03500", "inchi": "InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3", "name": "Ethyl 3-oxobutanoate", "names": [ "Ethyl 3-oxobutanoate", "Ethyl acetoacetate" ] }, { "compound_id": "C03502", "inchi": "InChI=1S/C21H20O8/c22-10-14-16(24)17(25)18(26)21(28-14)29-20-15(23)12-8-4-5-9-13(12)27-19(20)11-6-2-1-3-7-11/h1-9,14,16-18,21-22,24-26H,10H2/t14-,16+,17+,18-,21+/m1/s1", "name": "Flavonol 3-O-D-galactoside", "names": [ "Flavonol 3-O-D-galactoside" ] }, { "compound_id": "C03503", "inchi": "InChI=1S/C20H18O8/c21-8-13-17(24)18(25)19(26)20(28-13)27-12-7-3-6-11-14(12)16(23)10-5-2-1-4-9(10)15(11)22/h1-7,13,17-21,24-26H,8H2/t13-,17-,18+,19-,20-/m1/s1", "name": "Glucosyloxyanthraquinone", "names": [ "Glucosyloxyanthraquinone" ] }, { "compound_id": "C03505", "inchi": "InChI=1S/C3H7O5P/c1-3(4)2-8-9(5,6)7/h2H2,1H3,(H2,5,6,7)", "name": "Hydroxyacetone phosphate", "names": [ "Acetol phosphate", "Hydroxyacetone phosphate" ] }, { "compound_id": "C03506", "inchi": "InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1", "name": "Indoleglycerol phosphate", "names": [ "(1S,2R)-1-C-(Indol-3-yl)glycerol 3-phosphate", "(3-Indolyl)-glycerol phosphate", "1-(indol-3-yl)glycerol 3-phosphate", "1-C-(Indol-3-yl)glycerol 3-phosphate", "C1-(3-Indolyl)-glycerol 3-phosphate", "Indole-3-glycerol phosphate", "Indoleglycerol phosphate" ] }, { "compound_id": "C03508", "inchi": "InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1", "name": "L-2-Amino-3-oxobutanoic acid", "names": [ "(S)-2-Amino-3-oxobutanoic acid", "L-2-Amino-3-oxobutanoate", "L-2-Amino-3-oxobutanoic acid", "L-2-Amino-acetoacetate" ] }, { "compound_id": "C03509", "inchi": "InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m0/s1", "name": "L-Arabinitol 5-phosphate", "names": [ "L-Arabinitol 5-phosphate" ] }, { "compound_id": "C03510", "inchi": "InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1", "name": "L-Methionine sulfoximine", "names": [ "(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid", "L-Methionine sulfoximine" ] }, { "compound_id": "C03511", "inchi": null, "name": "L-Phenylalanyl-tRNA(Phe)", "names": [ "L-Phenylalanyl-tRNA(Phe)", "l-phenylalanyl-trna-phe" ] }, { "compound_id": "C03512", "inchi": null, "name": "L-Tryptophanyl-tRNA(Trp)", "names": [ "L-Tryptophanyl-tRNA(Trp)" ] }, { "compound_id": "C03514", "inchi": "InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1", "name": "Limonin", "names": [ "Evodin", "Limonin" ] }, { "compound_id": "C03515", "inchi": "InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1", "name": "Luteolin 7-O-glucuronide", "names": [ "Luteolin 7-O-beta-D-glucuronide", "Luteolin 7-O-glucuronide" ] }, { "compound_id": "C03516", "inchi": "InChI=1S/C34H34N4O4.Mg/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;", "name": "Magnesium protoporphyrin", "names": [ "Magnesium protoporphyrin", "Magnesium protoporphyrin IX", "Mg-protoporphyrin IX" ] }, { "compound_id": "C03517", "inchi": null, "name": "Monoterpenyl diphosphate", "names": [ "Monoterpenyl diphosphate" ] }, { "compound_id": "C03518", "inchi": null, "name": "N-Acetyl-D-glucosaminide", "names": [ "N-Acetyl-D-glucosaminide" ] }, { "compound_id": "C03519", "inchi": "InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1", "name": "N-Acetyl-L-phenylalanine", "names": [ "N-Acetyl-L-phenylalanine" ] }, { "compound_id": "C03521", "inchi": "InChI=1S/C8H15NO7/c10-1-3-6(13)7(14)5(8(15)16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5+,6-,7-,8+/m1/s1", "name": "Glycolyl-D-mannosamine", "names": [ "Glycolyl-D-mannosamine", "N-Glycolyl-D-mannosamine" ] }, { "compound_id": "C03522", "inchi": "InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)", "name": "N-Methyl-4-aminobenzoate", "names": [ "N-Methyl-4-aminobenzoate" ] }, { "compound_id": "C03523", "inchi": null, "name": "N-Substituted amino acid", "names": [ "N-Substituted amino acid" ] }, { "compound_id": "C03524", "inchi": "InChI=1S/C21H41N5O8/c1-9(27)26-13-5-4-10(7-22)32-19(13)33-16-11(23)6-12(24)17(14(16)28)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/t10-,11-,12+,13+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1", "name": "N2'-Acetylgentamicin C1a", "names": [ "N2'-Acetylgentamicin C1a" ] }, { "compound_id": "C03525", "inchi": "InChI=1S/C11H19NO9/c1-4(13)20-3-6(15)8(16)9-7(12)5(14)2-11(19,21-9)10(17)18/h5-9,14-16,19H,2-3,12H2,1H3,(H,17,18)/t5-,6?,7+,8-,9+,11?/m0/s1", "name": "O-Acetylneuraminic acid", "names": [ "O-Acetylated sialic acid", "O-Acetylneuraminic acid" ] }, { "compound_id": "C03526", "inchi": null, "name": "O-Sinapoylglucarolactone", "names": [ "O-Sinapoylglucarolactone" ] }, { "compound_id": "C03527", "inchi": "InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3", "name": "Oxidized Latia luciferin", "names": [ "Oxidized Latia luciferin" ] }, { "compound_id": "C03529", "inchi": null, "name": "Peptide formylkynurenine", "names": [ "Peptide formylkynurenine" ] }, { "compound_id": "C03530", "inchi": null, "name": "Peptidyl-L-lysyl-peptide", "names": [ "Peptidyl-L-lysyl-peptide" ] }, { "compound_id": "C03531", "inchi": null, "name": "Peptidyl-allysyl-peptide", "names": [ "Peptidyl-allysyl-peptide" ] }, { "compound_id": "C03535", "inchi": null, "name": "Polysulfate of cellulose", "names": [ "Polysulfate of cellulose" ] }, { "compound_id": "C03536", "inchi": "InChI=1S/C9H13N2O7P/c12-7-6(4-17-19(14,15)16)18-9(8(7)13)11-3-1-2-10-5-11/h1-3,5-9,12-13H,4H2,(H-,14,15,16)/p+1/t6-,7-,8-,9-/m1/s1", "name": "Pyrimidine 5'-nucleotide", "names": [ "Pyrimidine 5'-nucleotide" ] }, { "compound_id": "C03537", "inchi": "InChI=1S/C4H9NOS/c1-4(6)7-3-2-5/h2-3,5H2,1H3", "name": "S-Acetylthioethanolamine", "names": [ "S-Acetylthioethanolamine" ] }, { "compound_id": "C03539", "inchi": "InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1", "name": "S-Ribosyl-L-homocysteine", "names": [ "Ribose-5-S-homocysteine", "S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine", "S-D-Ribosyl-L-homocysteine", "S-Ribosyl-L-homocysteine", "S-Ribosylhomocysteine" ] }, { "compound_id": "C03541", "inchi": "", "name": "THF-polyglutamate", "names": [ "THF-polyglutamate" ] }, { "compound_id": "C03543", "inchi": "InChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)", "name": "undecaprenyl diphosphate", "names": [ "undecaprenyl diphosphate" ] }, { "compound_id": "C03544", "inchi": null, "name": "[Xanthine dehydrogenase]", "names": [ "[Xanthine : NAD oxidoreductase]", "[Xanthine dehydrogenase]" ] }, { "compound_id": "C03546", "inchi": "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1", "name": "myo-Inositol 4-phosphate", "names": [ "1D-myo-Inositol 4-monophosphate", "1D-myo-Inositol 4-phosphate", "D-myo-Inositol 4-phosphate", "Inositol 4-phosphate", "myo-Inositol 4-phosphate" ] }, { "compound_id": "C03547", "inchi": "InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)", "name": "omega-Hydroxy fatty acid", "names": [ "omega-Hydroxy fatty acid" ] }, { "compound_id": "C03548", "inchi": "InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1", "name": "trans-2,3-Epoxysuccinate", "names": [ "trans-2,3-Epoxysuccinate" ] }, { "compound_id": "C03557", "inchi": "InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)", "name": "2-Aminoethylphosphonate", "names": [ "(2-Aminoethyl)phosphonate", "2-Aminoethylphosphonate", "Ciliatine" ] }, { "compound_id": "C03561", "inchi": "InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14-,18-,19-,20?,24-/m1/s1", "name": "(R)-3-Hydroxybutanoyl-CoA", "names": [ "(3R)-3-Hydroxybutanoyl-CoA", "(R)-3-Hydroxybutanoyl-CoA" ] }, { "compound_id": "C03564", "inchi": "InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)", "name": "1-Pyrroline-2-carboxylate", "names": [ "1-Pyrroline-2-carboxylate", "1-Pyrroline-2-carboxylic acid", "d-1-pyrroline-2-carboxylate", "delta1-Pyrroline 2-carboxylate" ] }, { "compound_id": "C03565", "inchi": null, "name": "2''-Nucleotidylgentamicin", "names": [ "2''-Nucleotidylgentamicin" ] }, { "compound_id": "C03566", "inchi": null, "name": "2''-Nucleotidyltobramycin", "names": [ "2''-Nucleotidyltobramycin" ] }, { "compound_id": "C03567", "inchi": "InChI=1S/C15H12O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,16-18H,7H2", "name": "2'-Hydroxydihydrodaidzein", "names": [ "2'-Hydroxy-2,3-dihydrodaidzein", "2'-Hydroxydihydrodaidzein" ] }, { "compound_id": "C03568", "inchi": "InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1", "name": "2'-Phosphoadenylylsulfate", "names": [ "2'-Phosphoadenylylsulfate" ] }, { "compound_id": "C03569", "inchi": "InChI=1S/C12H10O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,13-15H", "name": "2,2',3-Trihydroxybiphenyl", "names": [ "2,2',3-Trihydroxybiphenyl" ] }, { "compound_id": "C03570", "inchi": "InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6?/m1/s1", "name": "D-Mannosamine", "names": [ "2-Amino-2-deoxy-D-mannose", "D-Mannosamine" ] }, { "compound_id": "C03571", "inchi": "InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)", "name": "2-Amino-2-methylbutanoate", "names": [ "2-Amino-2-methylbutanoate" ] }, { "compound_id": "C03572", "inchi": "InChI=1S/C6H5ClO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)/b3-1-,4-2+", "name": "2-Chloro-cis,cis-muconate", "names": [ "2-Chloro-cis,cis-muconate" ] }, { "compound_id": "C03573", "inchi": null, "name": "2-Deoxy-alpha-D-glucoside", "names": [ "2-Deoxy-alpha-D-glucoside" ] }, { "compound_id": "C03574", "inchi": "InChI=1S/C8H7NO2/c10-5-7-3-1-2-4-8(7)9-6-11/h1-6H,(H,9,11)", "name": "2-Formylaminobenzaldehyde", "names": [ "2-Formylaminobenzaldehyde" ] }, { "compound_id": "C03575", "inchi": "InChI=1S/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3", "name": "2-Iodophenol methyl ether", "names": [ "2-Iodophenol methyl ether" ] }, { "compound_id": "C03576", "inchi": "InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)", "name": "2-Mercaptoethanesulfonate", "names": [ "2-Mercaptoethanesulfonate", "CoM", "HS-CoM", "Reduced coenzyme M" ] }, { "compound_id": "C03577", "inchi": "InChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1", "name": "20-Hydroxyleukotriene E4", "names": [ "20-Hydroxyleukotriene E4", "20-OH-LTE4", "20-OH-Leukotriene E4" ] }, { "compound_id": "C03578", "inchi": null, "name": "23,24-Dihydrocucurbitacin", "names": [ "23,24-Dihydrocucurbitacin" ] }, { "compound_id": "C03579", "inchi": "InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1", "name": "Gibberellin A8", "names": [ "2beta-Hydroxygibberellin 1", "Gibberellin A8" ] }, { "compound_id": "C03580", "inchi": "InChI=1S/C24H36N7O13P/c1-8-4-10(32)24(36)23(40-8)42-19-17(43-24)11(26-2)15(34)12(27-3)18(19)44-45(37,38)39-5-9-14(33)16(35)22(41-9)31-7-30-13-20(25)28-6-29-21(13)31/h6-9,11-12,14-19,22-23,26-27,33-36H,4-5H2,1-3H3,(H,37,38)(H2,25,28,29)/t8-,9-,11+,12-,14-,15-,16-,17-,18+,19+,22-,23?,24+/m1/s1", "name": "3''-Adenylylspectinomycin", "names": [ "3''-Adenylylspectinomycin" ] }, { "compound_id": "C03582", "inchi": "InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+", "name": "3,4',5-Trihydroxystilbene", "names": [ "3,4',5-Trihydroxystilbene", "Resveratrol" ] }, { "compound_id": "C03584", "inchi": "InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1", "name": "3-(Uracil-1-yl)-L-alanine", "names": [ "3-(Uracil-1-yl)-L-alanine", "Willardiine" ] }, { "compound_id": "C03585", "inchi": "InChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1-,4-3+", "name": "3-Chloro-cis,cis-muconate", "names": [ "3-Chloro-cis,cis-muconate" ] }, { "compound_id": "C03586", "inchi": "InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1H,2-3H2,(H,7,8)", "name": "2-Oxo-2,3-dihydrofuran-5-acetate", "names": [ "2-Oxo-2,3-dihydrofuran-5-acetate", "3-Oxoadipate enol-lactone", "4,5-Dihydro-5-oxofuran-2-acetate", "5-Oxo-4,5-dihydrofuran-2-acetate" ] }, { "compound_id": "C03587", "inchi": null, "name": "3beta-Hydroxysterol ester", "names": [ "3beta-Hydroxysterol ester" ] }, { "compound_id": "C03588", "inchi": "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14-,15-,18+,19-,20-,21-/m0/s1", "name": "4,5alpha-Dihydrocortisone", "names": [ "4,5alpha-Dihydrocortisone" ] }, { "compound_id": "C03589", "inchi": "InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)", "name": "4-Hydroxy-2-oxopentanoate", "names": [ "4-Hydroxy-2-oxopentanoate", "4-Hydroxy-2-oxovalerate" ] }, { "compound_id": "C03590", "inchi": "InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)", "name": "4-Hydroxyphenylglyoxylate", "names": [ "4-Hydroxybenzoylformate", "4-Hydroxyphenylglyoxylate", "4-Hydroxyphenylglyoxylic acid" ] }, { "compound_id": "C03591", "inchi": "InChI=1S/C7H7ClO2/c1-4-2-5(8)3-6(9)7(4)10/h2-3,9-10H,1H3", "name": "5-Chloro-3-methylcatechol", "names": [ "5-Chloro-3-methylcatechol" ] }, { "compound_id": "C03592", "inchi": "InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1", "name": "5-Methyl-2'-deoxycytidine", "names": [ "5-Methyl-2'-deoxycytidine" ] }, { "compound_id": "C03594", "inchi": "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1", "name": "7alpha-Hydroxycholesterol", "names": [ "7alpha-Hydroxycholesterol", "Cholest-5-ene-3beta,7alpha-diol" ] }, { "compound_id": "C03595", "inchi": "InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,28-30,34-36,40,51-52H,4-7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-/t30-,34-,35-,36?,40-/m1/s1", "name": "8,11,14-Eicosatrienoyl-CoA", "names": [ "(8Z,11Z,14Z)-Icosatrienoyl-CoA", "8,11,14-Eicosatrienoyl-CoA", "8,11,14-Icosatrienoyl-CoA" ] }, { "compound_id": "C03597", "inchi": null, "name": "Actinomycinic monolactone", "names": [ "Actinomycinic monolactone" ] }, { "compound_id": "C03598", "inchi": "InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8-,9-,11-,12-,13-,14-/m1/s1", "name": "CDP-3,6-dideoxy-D-glucose", "names": [ "CDP-3,6-dideoxy-D-glucose", "CDPparatose" ] }, { "compound_id": "C03599", "inchi": "InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8+,9-,11-,12-,13-,14-/m1/s1", "name": "CDP-3,6-dideoxy-D-mannose", "names": [ "CDP-3,6-dideoxy-D-mannose", "CDPtyvelose" ] }, { "compound_id": "C03600", "inchi": "InChI=1S/C6H8O7/c7-4(8)1-3(6(11)12)13-2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)", "name": "Carboxymethyloxysuccinate", "names": [ "(Carboxymethoxy) succinic acid", "Carboxymethyloxysuccinate" ] }, { "compound_id": "C03601", "inchi": "InChI=1S/C13H14Cl2N2O6/c1-7(18)23-6-10(16-13(20)12(14)15)11(19)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1", "name": "Chloramphenicol 3-acetate", "names": [ "Chloramphenicol 3-acetate" ] }, { "compound_id": "C03604", "inchi": "InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h4-5,7H,1-2H2,(H2,8,9,10)/t4-/m1/s1", "name": "D-Erythrulose 4-phosphate", "names": [ "D-Erythrulose 4-phosphate" ] }, { "compound_id": "C03606", "inchi": "InChI=1S/C6H13O9P/c7-3-1-14-5(9)6(10,4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5?,6-/m1/s1", "name": "D-Hamamelose 2(1)-phosphate", "names": [ "D-Hamamelose 2(1)-phosphate" ] }, { "compound_id": "C03607", "inchi": null, "name": "Deoxynucleoside phosphate", "names": [ "Deoxynucleoside phosphate" ] }, { "compound_id": "C03611", "inchi": null, "name": "Galactose oligosaccharide", "names": [ "Galactose oligosaccharide" ] }, { "compound_id": "C03614", "inchi": "InChI=1S/C10H16N4O17P4/c15-6-4(28-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "Inosine 5'-tetraphosphate", "names": [ "Inosine 5'-tetraphosphate" ] }, { "compound_id": "C03617", "inchi": null, "name": "L-Methionylaminoacyl-tRNA", "names": [ "L-Methionylaminoacyl-tRNA" ] }, { "compound_id": "C03618", "inchi": "InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1", "name": "L-threo-3-Methylaspartate", "names": [ "L-threo-3-Methylaspartate" ] }, { "compound_id": "C03619", "inchi": "InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1", "name": "Methyl beta-D-galactoside", "names": [ "Methyl beta-D-galactopyranoside", "Methyl beta-D-galactoside" ] }, { "compound_id": "C03620", "inchi": null, "name": "Monocarboxylic acid amide", "names": [ "Monocarboxylic acid amide" ] }, { "compound_id": "C03621", "inchi": "InChI=1S/C14H13NO2/c1-11(16)17-15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,1H3", "name": "N-Acetoxy-4-aminobiphenyl", "names": [ "N-Acetoxy-4-aminobiphenyl" ] }, { "compound_id": "C03622", "inchi": "InChI=1S/C12H11NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H", "name": "N-Hydroxy-4-aminobiphenyl", "names": [ "N-Hydroxy-4-aminobiphenyl" ] }, { "compound_id": "C03623", "inchi": "InChI=1S/C6H9NO4/c1-7-5(9)3-2-4(8)6(10)11/h2-3H2,1H3,(H,7,9)(H,10,11)", "name": "N-Methyl-2-oxoglutaramate", "names": [ "N-Methyl-2-oxoglutaramate" ] }, { "compound_id": "C03624", "inchi": "InChI=1S/C3H10N3O5PS/c4-3(6-12(7,8)9)5-1-2-13(10)11/h1-2H2,(H,10,11)(H5,4,5,6,7,8,9)", "name": "N-Phosphohypotaurocyamine", "names": [ "N(omega)-Phosphohypotaurocyamine", "N-Phosphohypotaurocyamine" ] }, { "compound_id": "C03625", "inchi": null, "name": "N5-Acyl-L-ornithine ester", "names": [ "N5-Acyl-L-ornithine ester" ] }, { "compound_id": "C03626", "inchi": "InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1", "name": "NG,NG-Dimethyl-L-arginine", "names": [ "ADMA", "N,N-Dimethylarginine", "NG,NG-Dimethyl-L-arginine", "Nomega,Nomega'-Dimethyl-L-arginine" ] }, { "compound_id": "C03629", "inchi": "InChI=1S/H4NO4P/c1-5-6(2,3)4/h1H2,(H2,2,3,4)", "name": "O-Phosphorylhydroxylamine", "names": [ "O-Phosphonohydroxylamine", "O-Phosphorylhydroxylamine" ] }, { "compound_id": "C03630", "inchi": "InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-", "name": "Oleoylglycerone phosphate", "names": [ "Oleoylglycerone phosphate" ] }, { "compound_id": "C03631", "inchi": null, "name": "Oleoylphosphatidylcholine", "names": [ "Oleoylphosphatidylcholine" ] }, { "compound_id": "C03632", "inchi": null, "name": "Oligosaccharide phosphate", "names": [ "Oligosaccharide phosphate" ] }, { "compound_id": "C03633", "inchi": null, "name": "Peptidylproline (omega=0)", "names": [ "Peptidylproline (omega=0)" ] }, { "compound_id": "C03634", "inchi": "InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1", "name": "Phorbol 12,13-dibutanoate", "names": [ "Phorbol 12,13-dibutanoate", "Phorbol-12,13-dibutyrate" ] }, { "compound_id": "C03635", "inchi": null, "name": "Protein N-ubiquityllysine", "names": [ "Protein N-ubiquityllysine" ] }, { "compound_id": "C03636", "inchi": null, "name": "Protein N5-alkylglutamine", "names": [ "Protein N5-alkylglutamine" ] }, { "compound_id": "C03637", "inchi": null, "name": "Protein serine D-xyloside", "names": [ "Protein serine D-xyloside" ] }, { "compound_id": "C03638", "inchi": null, "name": "RNA 3'-terminal-phosphate", "names": [ "RNA 3'-terminal-phosphate" ] }, { "compound_id": "C03640", "inchi": "InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1", "name": "Sphingosyl-phosphocholine", "names": [ "Sphingosyl-phosphocholine" ] }, { "compound_id": "C03641", "inchi": "InChI=1S/C23H38O6/c24-11-19-20(25)21(26)22(27)23(29-19)28-14-6-9-16-13(10-14)5-8-17-15-3-1-2-12(15)4-7-18(16)17/h12-27H,1-11H2/t12?,13?,14-,15?,16?,17?,18?,19+,20+,21-,22+,23+/m0/s1", "name": "Sterol 3-beta-D-glucoside", "names": [ "Sterol 3-beta-D-glucoside" ] }, { "compound_id": "C03642", "inchi": "InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1", "name": "Taurolithocholate sulfate", "names": [ "3alpha-Sulfatolithocholyltaurine", "Taurolithocholate sulfate", "Taurolithocholic acid 3-sulfate" ] }, { "compound_id": "C03643", "inchi": null, "name": "[Tyrosine-3-monoxygenase]", "names": [ "[Tyrosine-3-monoxygenase]" ] }, { "compound_id": "C03645", "inchi": null, "name": "alpha-L-Arabinofuranoside", "names": [ "alpha-L-Arabinofuranoside" ] }, { "compound_id": "C03646", "inchi": "InChI=1S/C16H26N4O10S2/c17-7(13(23)24)1-3-11(21)19-9(15(27)28)5-31-32-6-10(16(29)30)20-12(22)4-2-8(18)14(25)26/h7-10H,1-6,17-18H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/t7-,8-,9-,10-/m0/s1", "name": "Bis-gamma-glutamylcystine", "names": [ "Bis-gamma-L-glutamyl-L-cystine", "Bis-gamma-glutamylcystine", "Oxidized gamma-L-glutamyl-L-cysteine", "Oxidized gamma-glutamylcysteine" ] }, { "compound_id": "C03647", "inchi": "InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2+", "name": "cis,trans-Hexadienedioate", "names": [ "cis,trans-Hexadienedioate", "cis-trans-hexadienedioate" ] }, { "compound_id": "C03648", "inchi": "InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H/t13-,14-,15+/m0/s1", "name": "cis-3,4-Leucopelargonidin", "names": [ "cis-3,4-Leucopelargonidin" ] }, { "compound_id": "C03649", "inchi": null, "name": "gamma-L-Glutamyl-acceptor", "names": [ "gamma-L-Glutamyl-acceptor" ] }, { "compound_id": "C03651", "inchi": "InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1", "name": "trans-4-Hydroxy-D-proline", "names": [ "trans-4-Hydroxy-D-proline" ] }, { "compound_id": "C03652", "inchi": "InChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)/t3-,6-/m1/s1", "name": "(2R,3S)-2,3-Dimethylmalate", "names": [ "(2R,3S)-2,3-Dimethylmalate", "2,3-dimethylmalate" ] }, { "compound_id": "C03654", "inchi": "InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3?,5-,6-/m1/s1", "name": "(3S,4R)-Ketose 1-phosphate", "names": [ "(3S,4R)-Ketose 1-phosphate" ] }, { "compound_id": "C03656", "inchi": "InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1", "name": "(S)-5-Amino-3-oxohexanoic acid", "names": [ "(S)-5-Amino-3-oxohexanoate", "(S)-5-Amino-3-oxohexanoic acid" ] }, { "compound_id": "C03657", "inchi": "InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)", "name": "1,4-Dihydroxy-2-naphthoate", "names": [ "1,4-Dihydroxy-2-naphthoate", "1,4-Dihydroxy-2-naphthoic acid" ] }, { "compound_id": "C03658", "inchi": null, "name": "1-Hydroxyalkyl-sn-glycerol", "names": [ "1-Hydroxyalkyl-sn-glycerol" ] }, { "compound_id": "C03659", "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5-,6-,7-/m1/s1", "name": "1-O-Methyl-myo-inositol", "names": [ "1-O-Methyl-myo-inositol", "1D-1-O-Methyl-myo-inositol" ] }, { "compound_id": "C03660", "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5-,6-,7-/m0/s1", "name": "3-O-Methyl-myo-inositol", "names": [ "1D-3-O-Methyl-myo-inositol", "3-O-Methyl-myo-inositol" ] }, { "compound_id": "C03661", "inchi": "InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1", "name": "1F-beta-D-Fructosylsucrose", "names": [ "1F-beta-D-Fructosylsucrose", "beta-D-Fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside" ] }, { "compound_id": "C03662", "inchi": "InChI=1S/C15H10O7/c16-6-1-2-7-9(17)5-12(22-11(7)3-6)8-4-10(18)14(20)15(21)13(8)19/h1-5,16,18-21H", "name": "2'-Hydroxypseudobaptigenin", "names": [ "2'-Hydroxypseudobaptigenin" ] }, { "compound_id": "C03663", "inchi": "InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3", "name": "2',4'-Dihydroxyacetophenone", "names": [ "2',4'-Dihydroxyacetophenone", "2,4-Dihydroxyacetophenone", "Resacetophenone" ] }, { "compound_id": "C03664", "inchi": "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)", "name": "2,4-Dichlorophenoxyacetate", "names": [ "2,4-D", "2,4-Dichlorophenoxyacetate", "2,4-Dichlorophenoxyacetic acid" ] }, { "compound_id": "C03665", "inchi": "InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)", "name": "2-Amino-2-methylpropanoate", "names": [ "2-Amino-2-methylpropanoate", "2-Aminoisobutyric acid" ] }, { "compound_id": "C03666", "inchi": "InChI=1S/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b3-1-", "name": "2-Carboxy-cis,cis-muconate", "names": [ "2-Carboxy-cis,cis-muconate" ] }, { "compound_id": "C03667", "inchi": null, "name": "2-Hydroxycarbonyl compound", "names": [ "2-Hydroxycarbonyl compound" ] }, { "compound_id": "C03668", "inchi": "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)", "name": "2-Hydroxydicarboxylic acid", "names": [ "2-Hydroxydicarboxylic acid" ] }, { "compound_id": "C03671", "inchi": "InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)", "name": "2-Pyrone-4,6-dicarboxylate", "names": [ "2-Pyrone-4,6-dicarboxylate" ] }, { "compound_id": "C03672", "inchi": "InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)", "name": "3-(4-Hydroxyphenyl)lactate", "names": [ "2-Hydroxy-3-(4-hydroxyphenyl)propanoate", "3-(4-Hydroxyphenyl)lactate", "4-Hydroxyphenyllactate", "p-Hydroxyphenyllactate" ] }, { "compound_id": "C03673", "inchi": "InChI=1S/C13H20N5O16P3/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(20)8(19)5(32-12)1-30-36(26,27)34-37(28,29)31-2-6(13(21)22)33-35(23,24)25/h3-6,8-9,12,19-20H,1-2H2,(H,21,22)(H,26,27)(H,28,29)(H2,14,15,16)(H2,23,24,25)/t5-,6?,8-,9-,12-/m1/s1", "name": "3-(ADP)-2-phosphoglycerate", "names": [ "3-(ADP)-2-phosphoglycerate" ] }, { "compound_id": "C03674", "inchi": null, "name": "3-Carbamoyloxymethylcephem", "names": [ "3-Carbamoyloxymethylcephem" ] }, { "compound_id": "C03676", "inchi": "InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3,7H,(H,8,9)(H,10,11)/b2-1-,4-3+", "name": "3-Hydroxy-cis,cis-muconate", "names": [ "3-Hydroxy-cis,cis-muconate" ] }, { "compound_id": "C03677", "inchi": "InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/p+1/b13-3-/t16-,19-/m0/s1", "name": "4,21-Dehydrogeissoschizine", "names": [ "4,21-Dehydrogeissoschizine" ] }, { "compound_id": "C03678", "inchi": "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)", "name": "4-Amino-3-hydroxybutanoate", "names": [ "4-Amino-3-hydroxybutanoate", "4-Amino-3-hydroxybutanoic acid", "GABOB", "gamma-Amino-beta-hydroxybutyric acid" ] }, { "compound_id": "C03679", "inchi": "InChI=1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2", "name": "4-Chlorophenylacetonitrile", "names": [ "4-Chlorobenzyl cyanide", "4-Chlorophenylacetonitrile" ] }, { "compound_id": "C03680", "inchi": "InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)", "name": "4-Imidazolone-5-propanoate", "names": [ "4,5-Dihydro-4-oxo-5-imidazolepropanoate", "4-Imidazolone-5-propanoate", "4-Imidazolone-5-propionic acid" ] }, { "compound_id": "C03681", "inchi": "InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1", "name": "5alpha-Pregnane-3,20-dione", "names": [ "5alpha-Dihydroprogesterone", "5alpha-Pregnane-3,20-dione" ] }, { "compound_id": "C03682", "inchi": "InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-7(11)5-8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)", "name": "6-Acetamido-3-oxohexanoate", "names": [ "6-Acetamido-3-oxohexanoate" ] }, { "compound_id": "C03683", "inchi": "InChI=1S/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H/t7-,17+/m0/s1", "name": "6-Demethylsterigmatocystin", "names": [ "6-Demethylsterigmatocystin" ] }, { "compound_id": "C03684", "inchi": "InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)", "name": "6-Pyruvoyltetrahydropterin", "names": [ "6-(1,2-Dioxopropyl)-5,6,7,8-tetrahydropterin", "6-Pyruvoyl-5,6,7,8-tetrahydropterin", "6-Pyruvoyltetrahydropterin" ] }, { "compound_id": "C03685", "inchi": "InChI=1S/C30H50N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h15-17,19,23-25,29,41-42H,5-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25?,29-/m1/s1", "name": "7-Methyl-3-oxooctanoyl-CoA", "names": [ "7-Methyl-3-oxooctanoyl-CoA" ] }, { "compound_id": "C03686", "inchi": "InChI=1S/C19H14O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-9,19H,1-2H3/t9-,19+/m0/s1", "name": "O-Methylsterigmatocystin", "names": [ "8-O-Methylsterigmatocystin", "O-Methylsterigmatocystin" ] }, { "compound_id": "C03687", "inchi": "InChI=1S/CH6N2/c2-1-3/h1-3H2", "name": "Alkane-alpha,omega-diamine", "names": [ "Alkane-alpha,omega-diamine" ] }, { "compound_id": "C03688", "inchi": null, "name": "Apo-[acyl-carrier-protein]", "names": [ "Apo-[acyl-carrier-protein]", "acyl-carrier-protein" ] }, { "compound_id": "C03690", "inchi": "InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3", "name": "Bis(2-ethylhexyl)phthalate", "names": [ "Bis(2-ethylhexyl)phthalate", "DEHP", "Di(2-ethylhexyl)phthalate", "Dioctyl phthalate" ] }, { "compound_id": "C03691", "inchi": "InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1", "name": "CMP-N-glycoloylneuraminate", "names": [ "CMP-N-glycoloylneuraminate", "CMP-N-glycolylneuraminate", "CMP-NeuNGc" ] }, { "compound_id": "C03692", "inchi": null, "name": "1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol", "names": [ "1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol", "3-(beta-D-Galactosyl)-1,2-diacyl-sn-glycerol", "3-beta-D-Galactosyl-1,2-diacylglycerol", "D-Galactosyldiacylglycerol", "Galbeta1->3acyl2Gro", "MGDG", "Monogalactosyl-diacylglycerol", "Monogalactosyldiglyceride" ] }, { "compound_id": "C03693", "inchi": "InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5+,6-/m1/s1", "name": "D-Mannose 1,6-bisphosphate", "names": [ "D-Mannose 1,6-bisphosphate" ] }, { "compound_id": "C03701", "inchi": null, "name": "Glycosyl-N-acylsphingosine", "names": [ "Glycosyl-N-acylsphingosine" ] }, { "compound_id": "C03702", "inchi": null, "name": "Histone N6-methyl-L-lysine", "names": [ "Histone N6-methyl-L-lysine" ] }, { "compound_id": "C03703", "inchi": "InChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/t2-/m0/s1", "name": "L-5-Carboxymethylhydantoin", "names": [ "L-5-Carboxymethylhydantoin" ] }, { "compound_id": "C03706", "inchi": null, "name": "Lysosomal-enzyme D-mannose", "names": [ "Lysosomal-enzyme D-mannose" ] }, { "compound_id": "C03707", "inchi": null, "name": "Monoterpenol acetate ester", "names": [ "Monoterpenol acetate ester" ] }, { "compound_id": "C03708", "inchi": null, "name": "N-Acetyl-O-acetylneuraminate", "names": [ "N-Acetyl-O-acetylneuraminate" ] }, { "compound_id": "C03709", "inchi": "InChI=1S/C19H23N6O8P/c20-16-13-17(22-8-21-16)25(9-23-13)18-15(27)14(26)12(33-18)7-32-34(30,31)24-11(19(28)29)6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,26-27H,6-7H2,(H,28,29)(H2,20,21,22)(H2,24,30,31)/t11-,12+,14+,15+,18+/m0/s1", "name": "N-Adenylyl-L-phenylalanine", "names": [ "N-Adenylyl-L-phenylalanine" ] }, { "compound_id": "C03710", "inchi": "InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)", "name": "N-Benzyloxycarbonylglycine", "names": [ "Benzyloxycarbonylglycine", "N-Benzyloxycarbonylglycine", "N-CBZ-glycine", "benzyloxycarbonylglycine" ] }, { "compound_id": "C03711", "inchi": "InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3", "name": "N-Methylphenylethanolamine", "names": [ "N-Methylphenylethanolamine", "alpha-[(Methylamino)methyl]-benzyl alcohol" ] }, { "compound_id": "C03712", "inchi": "InChI=1S/C19H20N2O4/c22-17(14-8-3-1-4-9-14)20-13-7-12-16(19(24)25)21-18(23)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,20,22)(H,21,23)(H,24,25)/t16-/m0/s1", "name": "N2,N5-Dibenzoyl-L-ornithine", "names": [ "L-Ornithuric acid", "N2,N5-Dibenzoyl-L-ornithine" ] }, { "compound_id": "C03715", "inchi": null, "name": "O-Alkylglycerone phosphate", "names": [ "Alkyl-glycerone 3-phosphate", "Dihydroxyacetone phosphate alkyl ether", "O-Alkylglycerone phosphate" ] }, { "compound_id": "C03716", "inchi": "InChI=1S/C5H6O5/c1-10-4(7)2-3(6)5(8)9/h2H2,1H3,(H,8,9)", "name": "Oxaloacetate 4-methyl ester", "names": [ "Oxaloacetate 4-methyl ester" ] }, { "compound_id": "C03717", "inchi": "InChI=1S/C25H21N3O2/c29-21-13-11-20(12-14-21)23-17-26-25(22(27-23)15-18-7-3-1-4-8-18)28-24(30)16-19-9-5-2-6-10-19/h1-14,17,29H,15-16H2,(H,26,28,30)", "name": "Oxidized Renilla luciferin", "names": [ "Oxidized Renilla luciferin" ] }, { "compound_id": "C03719", "inchi": "InChI=1S/C8H9NOS/c10-9-8(11)6-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)", "name": "Phenylacetothiohydroximate", "names": [ "Phenylacetothiohydroximate" ] }, { "compound_id": "C03721", "inchi": null, "name": "Protein tyrosine-O-sulfate", "names": [ "Protein tyrosine-O-sulfate" ] }, { "compound_id": "C03722", "inchi": "InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)", "name": "Quinolinate", "names": [ "2,3-Pyridinedicarboxylic acid", "Pyridine-2,3-dicarboxylate", "Quinolinate", "Quinolinic acid" ] }, { "compound_id": "C03723", "inchi": null, "name": "Ribonucleoside diphosphate", "names": [ "Ribonucleoside diphosphate" ] }, { "compound_id": "C03724", "inchi": "InChI=1S/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-12,14,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20?,24-/m1/s1", "name": "S-(5-Hydroxy-2-furoyl)-CoA", "names": [ "S-(5-Hydroxy-2-furoyl)-CoA" ] }, { "compound_id": "C03725", "inchi": "InChI=1S/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1", "name": "S-Acetylphosphopantetheine", "names": [ "S-Acetylphosphopantetheine" ] }, { "compound_id": "C03726", "inchi": null, "name": "S-Alkyl-L-cysteine S-oxide", "names": [ "S-Alkyl-L-cysteine S-oxide" ] }, { "compound_id": "C03727", "inchi": "InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1", "name": "S-Carboxymethyl-L-cysteine", "names": [ "L-Carbocisteine", "S-Carboxymethyl-L-cysteine" ] }, { "compound_id": "C03730", "inchi": null, "name": "Single-stranded nucleotide", "names": [ "Single-stranded nucleotide" ] }, { "compound_id": "C03731", "inchi": "InChI=1S/C21H40N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)15(43-44(36,37)38)10(31)6(3-29)40-17)18(39-5)41-14-8(28-20(24)25)11(32)7(27-19(22)23)12(33)13(14)34/h4-18,26,29,31-35H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7+,8-,9-,10-,11+,12-,13+,14?,15-,16?,17?,18?,21+/m0/s1", "name": "Streptomycin 3''-phosphate", "names": [ "Streptomycin 3''-phosphate" ] }, { "compound_id": "C03733", "inchi": "InChI=1S/C15H24N2O17P2/c18-3-5(19)12-9(22)11(24)14(32-12)33-36(28,29)34-35(26,27)30-4-6-8(21)10(23)13(31-6)17-2-1-7(20)16-15(17)25/h1-2,5-6,8-14,18-19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,16,20,25)/t5-,6-,8-,9-,10-,11-,12+,13-,14-/m1/s1", "name": "UDP-alpha-D-galacto-1,4-furanose", "names": [ "UDP-D-galacto-1,4-furanose", "UDP-alpha-D-galacto-1,4-furanose" ] }, { "compound_id": "C03734", "inchi": "InChI=1S/C5H10NO7P/c6-3(1-2-4(7)8)5(9)13-14(10,11)12/h3H,1-2,6H2,(H,7,8)(H2,10,11,12)/t3-/m1/s1", "name": "alpha-D-Glutamyl phosphate", "names": [ "alpha-D-Glutamyl phosphate" ] }, { "compound_id": "C03735", "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2?,3?,4?,5?,6-/m0/s1", "name": "alpha-D-Hexose 6-phosphate", "names": [ "alpha-D-Hexose 6-phosphate" ] }, { "compound_id": "C03736", "inchi": "InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1", "name": "alpha-D-Ribose 5-phosphate", "names": [ "alpha-D-Ribose 5-phosphate" ] }, { "compound_id": "C03737", "inchi": "InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1", "name": "alpha-D-Xylose 1-phosphate", "names": [ "alpha-D-Xylose 1-phosphate" ] }, { "compound_id": "C03738", "inchi": "InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1", "name": "gamma-L-Glutamyl-D-alanine", "names": [ "L-gamma-Glutamyl-D-alanine", "gamma-L-Glutamyl-D-alanine" ] }, { "compound_id": "C03739", "inchi": "InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1", "name": "trans-1,2-Cyclohexanediol", "names": [ "trans-1,2-Cyclohexanediol", "trans-Cyclohexane-1,2-diol" ] }, { "compound_id": "C03740", "inchi": null, "name": "(5-L-Glutamyl)-L-amino acid", "names": [ "(5-L-Glutamyl)-L-amino acid", "L-gamma-Glutamyl-L-amino acid" ] }, { "compound_id": "C03741", "inchi": "InChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1", "name": "(S)-4-Amino-5-oxopentanoate", "names": [ "(S)-4-Amino-5-oxopentanoate", "L-Glutamate 1-semialdehyde" ] }, { "compound_id": "C03742", "inchi": "InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1", "name": "(S)-4-Hydroxymandelonitrile", "names": [ "(S)-4-Hydroxymandelonitrile" ] }, { "compound_id": "C03743", "inchi": "InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H", "name": "1,2,3,5-Tetrahydroxybenzene", "names": [ "1,2,3,5-Tetrahydroxybenzene" ] }, { "compound_id": "C03747", "inchi": "InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16?,17-,18+,19+,20-,21+/m0/s1", "name": "11alpha-Hydroxyprogesterone", "names": [ "11alpha-Hydroxyprogesterone" ] }, { "compound_id": "C03748", "inchi": "InChI=1S/C21H30O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19?,20+,21+/m1/s1", "name": "16alpha-Hydroxyprogesterone", "names": [ "16-alpha-Hydroxyprogesterone", "16alpha-Hydroxyprogesterone" ] }, { "compound_id": "C03750", "inchi": "InChI=1S/C12H12O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-3,5-6H,4,7-8H2,(H,15,16)", "name": "2,6-Dioxo-6-phenylhexanoate", "names": [ "2,6-Dioxo-6-phenylhexanoate" ] }, { "compound_id": "C03752", "inchi": "InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1", "name": "2-Amino-2-deoxy-D-gluconate", "names": [ "2-Amino-2-deoxy-D-gluconate", "D-Glucosaminate", "D-Glucosaminic acid", "Glucosaminate" ] }, { "compound_id": "C03753", "inchi": "InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H", "name": "2-Chloro-1,4-naphthoquinone", "names": [ "2-Chloro-1,4-naphthoquinone" ] }, { "compound_id": "C03754", "inchi": "InChI=1S/C4H9O5P/c1-3(2)4(5)9-10(6,7)8/h3H,1-2H3,(H2,6,7,8)", "name": "2-Methylpropanoyl phosphate", "names": [ "2-Methylpropanoyl phosphate", "2-Methylpropionyl phosphate" ] }, { "compound_id": "C03755", "inchi": "InChI=1S/C21H41N7O11/c1-5-6(3-29)16(38-18-10(26-2)14(34)11(31)7(4-30)37-18)19(36-5)39-17-9(28-21(24)25)12(32)8(27-20(22)23)13(33)15(17)35/h5-19,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16?,17?,18?,19?/m0/s1", "name": "3'-Deoxydihydrostreptomycin", "names": [ "3'-Deoxydihydrostreptomycin" ] }, { "compound_id": "C03757", "inchi": "InChI=1S/C8H7NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H", "name": "3,4-Dihydroxymandelonitrile", "names": [ "3,4-Dihydroxymandelonitrile" ] }, { "compound_id": "C03758", "inchi": "InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2", "name": "Dopamine", "names": [ "2-(3,4-Dihydroxyphenyl)ethylamine", "3,4-Dihydroxyphenethylamine", "4-(2-Aminoethyl)-1,2-benzenediol", "4-(2-Aminoethyl)benzene-1,2-diol", "Dopamine" ] }, { "compound_id": "C03761", "inchi": "InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)", "name": "3-Hydroxy-3-methylglutarate", "names": [ "3-Hydorxy-3-methylglutaric acid", "3-Hydroxy-3-methylglutarate", "3-Hydroxy-3-methylpentanedioic acid", "Dicrotalic acid", "Meglutol", "beta-Hydroxy-beta-methylglutaric acid" ] }, { "compound_id": "C03762", "inchi": "InChI=1S/C6H6N2O3/c9-5(6(10)11)3-8-2-1-7-4-8/h1-2,4H,3H2,(H,10,11)", "name": "3-Imidazole-2-oxopropanoate", "names": [ "3-Imidazole-2-oxopropanoate" ] }, { "compound_id": "C03764", "inchi": "InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3/b16-15+", "name": "para-(Dimethylamino)azobenzene", "names": [ "4-(Dimethylamino)phenylazobenzene", "Dimethyl yellow", "Methyl yellow", "N,N-Dimethyl-4-(phenylazo)benzenamine", "para-(Dimethylamino)azobenzene" ] }, { "compound_id": "C03765", "inchi": "InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2", "name": "4-Hydroxyphenylacetaldehyde", "names": [ "2-(4-Hydroxyphenyl)acetaldehyde", "4-Hydroxyphenylacetaldehyde" ] }, { "compound_id": "C03766", "inchi": "InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2", "name": "4-Hydroxyphenylacetonitrile", "names": [ "4-Hydroxybenzyl cyanide", "4-Hydroxyphenylacetonitrile" ] }, { "compound_id": "C03767", "inchi": "InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)", "name": "4-Oxocyclohexanecarboxylate", "names": [ "4-Oxocyclohexanecarboxylate" ] }, { "compound_id": "C03768", "inchi": null, "name": "4-Substituted phenylacetate", "names": [ "4-Substituted phenylacetate" ] }, { "compound_id": "C03771", "inchi": "InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)", "name": "5-Guanidino-2-oxopentanoate", "names": [ "2-Oxo-5-guanidino-pentanoate", "2-Oxo-5-guanidinopentanoate", "2-Oxoarginine", "5-Guanidino-2-oxo-pentanoate", "5-Guanidino-2-oxopentanoate" ] }, { "compound_id": "C03772", "inchi": "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1", "name": "5beta-Androstane-3,17-dione", "names": [ "5beta-Androstane-3,17-dione" ] }, { "compound_id": "C03773", "inchi": null, "name": "6-Acetyl-beta-D-galactoside", "names": [ "6-Acetyl-beta-D-galactoside" ] }, { "compound_id": "C03776", "inchi": "InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-/m1/s1", "name": "N-Acetyl-D-mannosaminolactone", "names": [ "N-Acetyl-D-mannosaminolactone" ] }, { "compound_id": "C03779", "inchi": "InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)", "name": "Bis(4-nitrophenyl)phosphate", "names": [ "Bis(4-nitrophenyl)phosphate", "Bis-4-nitrophenyl phosphate" ] }, { "compound_id": "C03782", "inchi": "InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m1/s1", "name": "D-(1-Aminoethyl)phosphonate", "names": [ "D-(1-Aminoethyl)phosphonate", "D-(1-Aminoethyl)phosphonic acid" ] }, { "compound_id": "C03783", "inchi": "InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1", "name": "D-Galactosamine 1-phosphate", "names": [ "D-Galactosamine 1-phosphate" ] }, { "compound_id": "C03785", "inchi": "InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+,5+,6?/m1/s1", "name": "D-Tagatose 1,6-bisphosphate", "names": [ "D-Tagatose 1,6-bisphosphate" ] }, { "compound_id": "C03786", "inchi": null, "name": "Deoxynucleoside diphosphate", "names": [ "Deoxynucleoside diphosphate" ] }, { "compound_id": "C03788", "inchi": null, "name": "Microsomal-membrane protein", "names": [ "Microsomal-membrane protein" ] }, { "compound_id": "C03789", "inchi": "InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6?/m1/s1", "name": "N,6-O-Disulfo-D-glucosamine", "names": [ "N,6-O-Disulfo-D-glucosamine", "N2,6-Disulfo-D-glucosamine" ] }, { "compound_id": "C03790", "inchi": "InChI=1S/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1", "name": "N-(Carboxymethyl)-D-alanine", "names": [ "N-(Carboxymethyl)-D-alanine", "Strombine" ] }, { "compound_id": "C03792", "inchi": null, "name": "N-Acyl-D-mannosaminolactone", "names": [ "N-Acyl-D-mannosaminolactone" ] }, { "compound_id": "C03793", "inchi": "InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1", "name": "N6,N6,N6-Trimethyl-L-lysine", "names": [ "N6,N6,N6-Trimethyl-L-lysine" ] }, { "compound_id": "C03794", "inchi": "InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1", "name": "N6-(1,2-Dicarboxyethyl)-AMP", "names": [ "Adenylosuccinate", "Adenylosuccinic acid", "N6-(1,2-Dicarboxyethyl)-AMP", "N6-(1,2-Dicarboxyethyl)AMP" ] }, { "compound_id": "C03795", "inchi": "InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1", "name": "N6-Methyl-2'-deoxyadenosine", "names": [ "N6-Methyl-2'-deoxyadenosine" ] }, { "compound_id": "C03796", "inchi": "InChI=1S/C35H62NO15P/c1-16-14-35(15-45-35)32(39)19(4)27(37)18(3)22(7)48-33(40)21(6)30(49-26-13-25(44-11)28(38)23(8)47-26)20(5)29(16)50-34-31(51-52(41,42)43)24(36(9)10)12-17(2)46-34/h16-31,34,37-38H,12-15H2,1-11H3,(H2,41,42,43)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26?,27-,28-,29?,30?,31+,34?,35+/m0/s1", "name": "Oleandomycin 2'-O-phosphate", "names": [ "Oleandomycin 2'-O-phosphate" ] }, { "compound_id": "C03797", "inchi": "InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2", "name": "Oxidized Photinus luciferin", "names": [ "Oxidized Photinus luciferin" ] }, { "compound_id": "C03798", "inchi": null, "name": "Peptidylproline (omega=180)", "names": [ "Peptidylproline (omega=180)" ] }, { "compound_id": "C03799", "inchi": "InChI=1S/C16H29O9P/c1-10(2)5-4-6-11(3)7-8-23-26(21,22)25-16-15(20)14(19)13(18)12(9-17)24-16/h5,7,12-20H,4,6,8-9H2,1-3H3,(H,21,22)/b11-7+/t12-,13-,14+,15-,16+/m1/s1", "name": "Polyprenylphosphate-glucose", "names": [ "Polyprenylphosphate-glucose" ] }, { "compound_id": "C03800", "inchi": null, "name": "Protein S-methyl-L-cysteine", "names": [ "Protein S-methyl-L-cysteine" ] }, { "compound_id": "C03801", "inchi": "InChI=1S/C29H33N9O12/c30-29-37-23-22(26(46)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(44)35-17(27(47)48)5-8-19(39)34-16(6-9-20(40)41)25(45)36-18(28(49)50)7-10-21(42)43/h1-4,12,16-18,31H,5-11H2,(H,34,39)(H,35,44)(H,36,45)(H,40,41)(H,42,43)(H,47,48)(H,49,50)(H3,30,32,37,38,46)/t16?,17-,18?/m0/s1", "name": "Pteroylpoly-gamma-glutamate", "names": [ "Pteroylpoly-gamma-glutamate" ] }, { "compound_id": "C03802", "inchi": null, "name": "Ribonucleoside triphosphate", "names": [ "Ribonucleoside triphosphate" ] }, { "compound_id": "C03803", "inchi": null, "name": "Ribosomal-protein L-alanine", "names": [ "Ribosomal-protein L-alanine", "Ribosomal-protein N-terminal-L-alanine" ] }, { "compound_id": "C03804", "inchi": "InChI=1S/C4H8O3S/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3/t3-/m1/s1", "name": "S-Methyl-1-thio-D-glycerate", "names": [ "S-Methyl-1-thio-D-glycerate" ] }, { "compound_id": "C03805", "inchi": "InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h2-19H2,1H3,(H2,24,25,26)", "name": "Stearoylglycerone phosphate", "names": [ "Stearoylglycerone phosphate" ] }, { "compound_id": "C03806", "inchi": null, "name": "Substituted beta-amino acid", "names": [ "Substituted beta-amino acid" ] }, { "compound_id": "C03808", "inchi": null, "name": "[Pyruvate kinase] phosphate", "names": [ "[Pyruvate kinase] phosphate" ] }, { "compound_id": "C03811", "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5+,6+/m1/s1", "name": "alpha-D-Glucose 3-phosphate", "names": [ "alpha-D-Glucose 3-phosphate" ] }, { "compound_id": "C03817", "inchi": "InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)/t5-/m0/s1", "name": "(S)-3-(Imidazol-5-yl)lactate", "names": [ "(S)-3-(Imidazol-5-yl)lactate" ] }, { "compound_id": "C03819", "inchi": null, "name": "1-Acylglycerophosphoinositol", "names": [ "1-Acyl-sn-glycero-3-phosphoinositol", "1-Acylglycerophosphoinositol" ] }, { "compound_id": "C03820", "inchi": null, "name": "1-Alkyl-2-acetyl-sn-glycerol", "names": [ "1-Alkyl-2-acetyl-sn-glycerol", "1-O-Alkyl-2-acetyl-sn-glycerol", "2-Acetyl-1-alkyl-sn-glycerol" ] }, { "compound_id": "C03822", "inchi": "InChI=1S/C12H7Cl2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,16H;/q;+1/p-1", "name": "2,6-Dichlorophenolindophenol sodium salt", "names": [ "2,6-Dichloroindophenol sodium salt", "2,6-Dichlorophenolindophenol sodium salt" ] }, { "compound_id": "C03823", "inchi": null, "name": "2-(2-Hydroxyacyl)sphingosine", "names": [ "2-(2-Hydroxyacyl)sphingosine" ] }, { "compound_id": "C03824", "inchi": "InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+", "name": "2-Aminomuconate semialdehyde", "names": [ "2-Aminomuconate 6-semialdehyde", "2-Aminomuconate semialdehyde" ] }, { "compound_id": "C03826", "inchi": "InChI=1S/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)/t3-/m0/s1", "name": "2-Dehydro-3-deoxy-D-xylonate", "names": [ "(4S)-4,5-Dihydroxy-2-oxopentanoate", "2-Dehydro-3-deoxy-D-arabinonate", "2-Dehydro-3-deoxy-D-pentonate", "2-Dehydro-3-deoxy-D-xylonate" ] }, { "compound_id": "C03827", "inchi": "InChI=1S/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h3-4,7-8H,2H2,1H3,(H,10,11)/t3-,4-/m0/s1", "name": "2-Dehydro-3-deoxy-L-fuconate", "names": [ "2-Dehydro-3-deoxy-L-fuconate" ] }, { "compound_id": "C03828", "inchi": "InChI=1S/C6H15N2O6P/c7-2-1-3(8)5(10)6(4(2)9)14-15(11,12)13/h2-6,9-10H,1,7-8H2,(H2,11,12,13)/t2-,3+,4+,5-,6-", "name": "2-Deoxystreptamine phospahte", "names": [ "2-Deoxystreptamine phospahte" ] }, { "compound_id": "C03829", "inchi": "InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11+/m0/s1", "name": "2S,5S-Methionine sulfoximine", "names": [ "(R-(R*,S*))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide", "2S,5S-Methionine sulfoximine" ] }, { "compound_id": "C03830", "inchi": "InChI=1S/C10H8O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h2-4,11-12H,1H3", "name": "3,4-Dehydro-6-hydroxymellein", "names": [ "3,4-Dehydro-6-hydroxymellein" ] }, { "compound_id": "C03832", "inchi": "InChI=1S/C15H9I3O5/c16-9-6-8(1-2-12(9)19)23-14-10(17)3-7(4-11(14)18)5-13(20)15(21)22/h1-4,6,19H,5H2,(H,21,22)", "name": "3,5,3'-Triiodothyropyruvate", "names": [ "3,5,3'-Triiodothyropyruvate", "3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate" ] }, { "compound_id": "C03834", "inchi": null, "name": "3-Hydroxymonocarboxylic acid", "names": [ "3-Hydroxymonocarboxylic acid" ] }, { "compound_id": "C03836", "inchi": "InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5,14-17,20H,3-4,6-12H2,1-2H3/t14-,15?,16?,17?,18?,19?/m0/s1", "name": "3beta-Hydroxy-delta5-steroid", "names": [ "3beta-Hydroxy-delta5-steroid" ] }, { "compound_id": "C03837", "inchi": "InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3", "name": "4-Methylumbelliferyl acetate", "names": [ "4-Methylumbelliferyl acetate" ] }, { "compound_id": "C03838", "inchi": "InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7-/m1/s1", "name": "5'-Phosphoribosylglycinamide", "names": [ "5'-Phosphoribosylglycinamide", "GAR", "Glycinamide ribonucleotide", "N1-(5-Phospho-D-ribosyl)glycinamide" ] }, { "compound_id": "C03840", "inchi": "InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H", "name": "5-Hydroxy-1,4-naphthoquinone", "names": [ "5-Hydroxy-1,4-naphthoquinone", "Juglone" ] }, { "compound_id": "C03843", "inchi": "InChI=1S/C10H16O3/c1-9(2)6-4-8(12)13-10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6?,7-,10?/m1/s1", "name": "5-exo-Hydroxy-1,2-campholide", "names": [ "5-exo-Hydroxy-1,2-campholide" ] }, { "compound_id": "C03844", "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1", "name": "D-Pinitol", "names": [ "1D-3-O-Methyl-chiro-inositol", "5D-5-O-Methyl-chiro-inositol", "D-Pinitol" ] }, { "compound_id": "C03845", "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1", "name": "5alpha-Cholest-8-en-3beta-ol", "names": [ "5alpha-Cholest-8-en-3beta-ol", "Cholestenol", "Zymostenol" ] }, { "compound_id": "C03846", "inchi": "InChI=1S/C8H16N2O3/c1-6(11)10-4-2-3-7(9)5-8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)", "name": "6-Acetamido-3-aminohexanoate", "names": [ "6-Acetamido-3-aminohexanoate" ] }, { "compound_id": "C03847", "inchi": null, "name": "6-Phospho-beta-D-galactoside", "names": [ "6-Phospho-beta-D-galactoside" ] }, { "compound_id": "C03848", "inchi": "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-10(24)15(29)18(4-21,33-7)34-17-14(28)12(26)9(23)6(2-20)32-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1", "name": "6F-alpha-D-Galactosylsucrose", "names": [ "6F-alpha-D-Galactosylsucrose", "Planteose" ] }, { "compound_id": "C03849", "inchi": null, "name": "Acyl-sn-glycerol 3-phosphate", "names": [ "Acyl-sn-glycerol 3-phosphate" ] }, { "compound_id": "C03850", "inchi": "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1", "name": "Adenosine 2',5'-bisphosphate", "names": [ "Adenosine 2',5'-bisphosphate" ] }, { "compound_id": "C03851", "inchi": "InChI=1S/C10H15N6O6P/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1", "name": "Adenosine 5'-phosphoramidate", "names": [ "Adenosine 5'-phosphoramidate" ] }, { "compound_id": "C03852", "inchi": "InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,17+,18?,19?/m1/s1", "name": "Androstan-3alpha,17beta-diol", "names": [ "Androstan-3alpha,17beta-diol" ] }, { "compound_id": "C03853", "inchi": "InChI=1S/C9H22O13P2/c10-1-7(12)3-19-23(15,16)21-5-9(14)6-22-24(17,18)20-4-8(13)2-11/h7-14H,1-6H2,(H,15,16)(H,17,18)", "name": "Bis(glycerophospho)-glycerol", "names": [ "Bis(glycerophospho)-glycerol" ] }, { "compound_id": "C03855", "inchi": "InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1", "name": "Cholesteryl-beta-D-glucoside", "names": [ "Cholesteryl-beta-D-glucoside" ] }, { "compound_id": "C03857", "inchi": "InChI=1S/C12H22O11/c13-1-5-7(15)10(18)12(20,22-5)4-21-2-6-8(16)9(17)11(19,3-14)23-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1", "name": "D-Fructosyl-D-fructofuranose", "names": [ "D-Fructosyl-D-fructofuranose" ] }, { "compound_id": "C03858", "inchi": "InChI=1S/C24H49NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h18-24,26-30H,2-17,25H2,1H3/t18?,19?,20-,21-,22+,23-,24-/m1/s1", "name": "D-Glucosyldihydrosphingosine", "names": [ "D-Glucosyldihydrosphingosine" ] }, { "compound_id": "C03859", "inchi": null, "name": "D-Glucosyllipopolysaccharide", "names": [ "D-Glucosyllipopolysaccharide" ] }, { "compound_id": "C03860", "inchi": "InChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/t9?,10-,13+,14-/m0/s1", "name": "Deaminohydroxyblasticidin S", "names": [ "Deaminohydroxyblasticidin S" ] }, { "compound_id": "C03861", "inchi": "InChI=1S/C12H6O4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H", "name": "Dibenzo[1,4]dioxin-2,3-dione", "names": [ "Dibenzo[1,4]dioxin-2,3-dione", "Diphenylenedioxide-2,3-quinone" ] }, { "compound_id": "C03862", "inchi": "InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15+,25-17-/t26?,27-,28-,29+,30+,31+/m1/s1", "name": "Dolichyl phosphate D-mannose", "names": [ "Dolichyl D-mannosyl phosphate", "Dolichyl phosphate D-mannose" ] }, { "compound_id": "C03864", "inchi": "InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m1/s1", "name": "Ethyl (R)-3-hydroxyhexanoate", "names": [ "Ethyl (R)-3-hydroxyhexanoate" ] }, { "compound_id": "C03865", "inchi": "InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1", "name": "Ethyl (S)-3-hydroxyhexanoate", "names": [ "Ethyl (S)-3-hydroxyhexanoate" ] }, { "compound_id": "C03866", "inchi": null, "name": "Glucuronoxylan D-glucuronate", "names": [ "Glucuronoxylan", "Glucuronoxylan D-glucuronate" ] }, { "compound_id": "C03868", "inchi": "InChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11-,12-,13+,14+,15-,16+", "name": "Indole-3-acetyl-myo-inositol", "names": [ "Indol-3-ylacetyl-myo-inositol", "Indole-3-acetyl-myo-inositol", "Indole-3-ylacetyl-myo-inositol" ] }, { "compound_id": "C03870", "inchi": "InChI=1S/C27H30O15/c1-8-19(33)22(36)24(38)27(39-8)42-26-23(37)20(34)16(7-28)41-25(26)18-13(32)6-15-17(21(18)35)12(31)5-14(40-15)9-2-3-10(29)11(30)4-9/h2-6,8,16,19-20,22-30,32-38H,7H2,1H3/t8-,16+,19-,20+,22+,23-,24+,25-,26+,27+/m0/s1", "name": "Isoorientin 2''-O-rhamnoside", "names": [ "Isoorientin 2''-O-rhamnoside" ] }, { "compound_id": "C03871", "inchi": "InChI=1S/C7H11NO5/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4H,1-3,8H2,(H,10,11)(H,12,13)/t4-/m0/s1", "name": "L-2-Amino-6-oxoheptanedioate", "names": [ "L-2-Amino-6-oxoheptanedioate", "L-2-Amino-6-oxopimelate" ] }, { "compound_id": "C03872", "inchi": "InChI=1S/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)/t4-/m0/s1", "name": "L-Serine-phosphoethanolamine", "names": [ "L-Serine-phosphoethanolamine", "Serine phosphoethanolamine" ] }, { "compound_id": "C03873", "inchi": null, "name": "Linoleoylphosphatidylcholine", "names": [ "2-Acyl-1-linoleoyl-sn-glycero-3-phosphocholine", "Linoleoylphosphatidylcholine" ] }, { "compound_id": "C03874", "inchi": null, "name": "Myosin heavy-chain phosphate", "names": [ "Myosin heavy-chain phosphate" ] }, { "compound_id": "C03875", "inchi": null, "name": "Myosin light chain phosphate", "names": [ "Myosin light chain phosphate", "Myosin light-chain phosphate" ] }, { "compound_id": "C03878", "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1", "name": "N-Acetyl-beta-D-glucosamine", "names": [ "N-Acetyl-beta-D-glucosamine" ] }, { "compound_id": "C03879", "inchi": null, "name": "N-Acetyl-beta-D-hexosaminide", "names": [ "N-Acetyl-beta-D-hexosaminide" ] }, { "compound_id": "C03880", "inchi": null, "name": "N-Substituted aminoacyl-tRNA", "names": [ "N-Substituted aminoacyl-tRNA" ] }, { "compound_id": "C03881", "inchi": null, "name": "N-Tetradecanoylglycylpeptide", "names": [ "N-Tetradecanoylglycylpeptide" ] }, { "compound_id": "C03882", "inchi": "InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+", "name": "Piperine", "names": [ "1-Piperoyl-piperidine", "N-[(E,E)-Piperoyl]piperidine", "Piperine" ] }, { "compound_id": "C03884", "inchi": "InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1", "name": "Ngamma-Monomethyl-L-arginine", "names": [ "Ngamma-Monomethyl-L-arginine" ] }, { "compound_id": "C03885", "inchi": "InChI=1S/C52H78O3/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52(54)55)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,54,55)/b41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+", "name": "3-Nonaprenyl-4-hydroxybenzoate", "names": [ "3-Nonaprenyl-4-hydroxybenzoate", "Nonaprenyl-4-hydroxybenzoate" ] }, { "compound_id": "C03886", "inchi": null, "name": "Nucleoside 5'-phosphoacylate", "names": [ "Nucleoside 5'-phosphoacylate" ] }, { "compound_id": "C03887", "inchi": "InChI=1S/C21H27N7O/c1-3-13(2)20(29)28-19-17(9-6-10-24-21(22)23)27-18(12-26-19)15-11-25-16-8-5-4-7-14(15)16/h4-5,7-8,11-13,25H,3,6,9-10H2,1-2H3,(H4,22,23,24)(H,26,28,29)/t13-/m0/s1", "name": "Oxidized Cypridina luciferin", "names": [ "Oxidized Cypridina luciferin" ] }, { "compound_id": "C03888", "inchi": "InChI=1S/C25H21N3O9S2/c29-24(15-18-6-10-20(11-7-18)36-38(30,31)32)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(13-9-19)37-39(33,34)35/h1-13,16H,14-15H2,(H,26,28,29)(H,30,31,32)(H,33,34,35)", "name": "Oxidized Watasenia luciferin", "names": [ "Oxidized Watasenia luciferin" ] }, { "compound_id": "C03889", "inchi": null, "name": "Palmitoylphosphatidylcholine", "names": [ "Palmitoylphosphatidylcholine" ] }, { "compound_id": "C03890", "inchi": null, "name": "Peptide(N-Glu, Asp, Cystine)", "names": [ "Peptide(N-Glu, Asp, Cystine)" ] }, { "compound_id": "C03892", "inchi": null, "name": "Phosphatidylglycerophosphate", "names": [ "1,2-Diacyl-sn-glycero-3-phospho-sn-glycerol 3'-phosphate", "3(3-Phosphatidyl-)L-glycerol 1-phosphate", "3(3-sn-Phosphatidyl)-sn-glycerol 1-phosphate", "Phosphatidylglycerophosphate" ] }, { "compound_id": "C03893", "inchi": null, "name": "Poly(alpha-L-1,4-guluronate)", "names": [ "Poly(alpha-L-1,4-guluronate)" ] }, { "compound_id": "C03894", "inchi": "InChI=1S/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)", "name": "Propane-1,2-diol 1-phosphate", "names": [ "Propane-1,2-diol 1-phosphate" ] }, { "compound_id": "C03895", "inchi": null, "name": "Peptide-L-methionine (S)-S-oxide", "names": [ "Peptide-L-methionine (S)-S-oxide" ] }, { "compound_id": "C03897", "inchi": "InChI=1S/C15H10O16S3/c16-8-2-1-6(3-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)", "name": "Quercetin 3,3',7-trissulfate", "names": [ "Quercetin 3,3',7-trissulfate" ] }, { "compound_id": "C03898", "inchi": "InChI=1S/C15H10O16S3/c16-8-3-6(1-2-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)", "name": "Quercetin 3,4',7-trissulfate", "names": [ "Quercetin 3,4',7-trissulfate" ] }, { "compound_id": "C03899", "inchi": null, "name": "S-(2-Hydroxyacyl)glutathione", "names": [ "S-(2-Hydroxyacyl)glutathione" ] }, { "compound_id": "C03900", "inchi": "InChI=1S/C9H10BrNO2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1", "name": "S-(4-Bromophenyl)-L-cysteine", "names": [ "S-(4-Bromophenyl)-L-cysteine" ] }, { "compound_id": "C03901", "inchi": "InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)", "name": "Thiomorpholine 3-carboxylate", "names": [ "Thiomorpholine 3-carboxylate" ] }, { "compound_id": "C03904", "inchi": null, "name": "alpha-N-Peptidyl-L-glutamate", "names": [ "alpha-N-Peptidyl-L-glutamate" ] }, { "compound_id": "C03905", "inchi": null, "name": "alpha-N-Peptidyl-L-glutamine", "names": [ "alpha-N-Peptidyl-L-glutamine" ] }, { "compound_id": "C03906", "inchi": "InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1", "name": "beta-L-Arabinose 1-phosphate", "names": [ "beta-L-Arabinose 1-phosphate" ] }, { "compound_id": "C03910", "inchi": "InChI=1S/C29H48O2/c1-18(2)29(20(4)31-29)16-11-19(3)24-9-10-25-23-8-7-21-17-22(30)12-14-27(21,5)26(23)13-15-28(24,25)6/h7,18-20,22-26,30H,8-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-,29-/m1/s1", "name": "(24R,24'R)-Fucosterol epoxide", "names": [ "(24R,24'R)-Fucosterol epoxide", "(24R,28R)-Fucosterol epoxide" ] }, { "compound_id": "C03912", "inchi": "InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1", "name": "(S)-1-Pyrroline-5-carboxylate", "names": [ "(S)-1-Pyrroline-5-carboxylate", "1-Pyrroline-5-carboxylate", "L-1-Pyrroline-5-carboxylate", "d-1-pyrroline-5-carboxylate", "dl-d-1-pyrroline-5-carboxylate" ] }, { "compound_id": "C03914", "inchi": "InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3,(H,15,16)/t7-/m0/s1", "name": "(S)-beta-Methylindolepyruvate", "names": [ "(S)-beta-Methylindolepyruvate" ] }, { "compound_id": "C03916", "inchi": "InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12-", "name": "1-Oleoylglycerophosphocholine", "names": [ "1-Oleoyl-sn-glycero-3-phosphocholine", "1-Oleoylglycerophosphocholine" ] }, { "compound_id": "C03917", "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1", "name": "Dihydrotestosterone", "names": [ "17beta-Hydroxy-5alpha-androstan-3-one", "17beta-Hydroxyandrostan-3-one", "Androstanolone", "Dihydrotestosterone" ] }, { "compound_id": "C03918", "inchi": "InChI=1S/C6H4Cl2O4/c7-3(2-5(9)10)1-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b3-2+,4-1+", "name": "2,4-Dichloro-cis,cis-muconate", "names": [ "2,4-Dichloro-cis,cis-muconate" ] }, { "compound_id": "C03920", "inchi": "InChI=1S/C3H8O3S2/c1-7-2-3-8(4,5)6/h2-3H2,1H3,(H,4,5,6)", "name": "2-(Methylthio)ethanesulfonate", "names": [ "2-(Methylthio)ethanesulfonate", "Methyl CoM", "Methylcoenzyme M" ] }, { "compound_id": "C03921", "inchi": "InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/t2-,4-/m0/s1", "name": "2-Dehydro-3-deoxy-D-glucarate", "names": [ "2-Dehydro-3-deoxy-D-glucarate" ] }, { "compound_id": "C03922", "inchi": null, "name": "2-Deoxystreptamine antibiotic", "names": [ "2-Deoxystreptamine antibiotic" ] }, { "compound_id": "C03924", "inchi": null, "name": "3'-Phosphooligoribonucleotide", "names": [ "3'-Phosphooligoribonucleotide" ] }, { "compound_id": "C03925", "inchi": "InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)", "name": "3,5-Dibromo-4-hydroxybenzoate", "names": [ "3,5-Dibromo-4-hydroxybenzoate" ] }, { "compound_id": "C03926", "inchi": "InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h4,6-7,9,12H,1-2H2,(H,10,11)/t4-,6+/m1/s1", "name": "3-Dehydro-2-deoxy-D-gluconate", "names": [ "2-deoxy-3-dehydro-d-gluconate", "3-Dehydro-2-deoxy-D-gluconate" ] }, { "compound_id": "C03927", "inchi": "InChI=1S/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-3,8H,(H,6,7)", "name": "3-Hydroxy-4H-pyrid-4-one", "names": [ "3-Hydroxy-4(1H)-pyridinone", "3-Hydroxy-4H-pyrid-4-one", "3-Hydroxypyridin-4(1H)-one" ] }, { "compound_id": "C03928", "inchi": "InChI=1S/C13H24N3O11PS/c14-8(13(22)26-4-7(17)5-27-28(23,24)25)1-2-10(18)16-9(6-29)12(21)15-3-11(19)20/h7-9,17,29H,1-6,14H2,(H,15,21)(H,16,18)(H,19,20)(H2,23,24,25)/t7?,8-,9-/m0/s1", "name": "3-Phosphoglycerol-glutathione", "names": [ "3-Phosphoglycerol-glutathione" ] }, { "compound_id": "C03929", "inchi": "InChI=1S/C11H16O2/c1-7-5-8(11(2,3)4)10(13)9(12)6-7/h5-6,12-13H,1-4H3", "name": "3-tert-Butyl-5-methylcatechol", "names": [ "3-tert-Butyl-5-methylcatechol" ] }, { "compound_id": "C03930", "inchi": "InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22+,23+,26+,27-,28-,29+,30+/m0/s1", "name": "3alpha-Hydroxyglycyrrhetinate", "names": [ "3alpha-Hydroxyglycyrrhetinate" ] }, { "compound_id": "C03933", "inchi": null, "name": "5-D-Glutamyl-D-glutamyl-peptide", "names": [ "5-D-Glutamyl-D-glutamyl-peptide", "gamma-D-Glutamyl-D-glutamyl-peptide" ] }, { "compound_id": "C03935", "inchi": "InChI=1S/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1", "name": "6beta-Hydroxyestradiol-17beta", "names": [ "6beta-Hydroxyestradiol-17beta" ] }, { "compound_id": "C03939", "inchi": null, "name": "Acetyl-[acyl-carrier protein]", "names": [ "Acetyl-[acyl-carrier protein]" ] }, { "compound_id": "C03940", "inchi": null, "name": "Anthocyanidin-3-O-beta-D-glucoside", "names": [ "Anthocyanidin-3-O-D-glucoside", "Anthocyanidin-3-O-beta-D-glucoside" ] }, { "compound_id": "C03941", "inchi": null, "name": "Calmodulin N6-methyl-L-lysine", "names": [ "Calmodulin N6-methyl-L-lysine" ] }, { "compound_id": "C03942", "inchi": null, "name": "D-Galactosylglycosaminoglycan", "names": [ "D-Galactosylglycosaminoglycan" ] }, { "compound_id": "C03943", "inchi": "InChI=1S/C5H12N2O2/c1-3(6)2-4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)/t3-,4+/m0/s1", "name": "(2R,4S)-2,4-Diaminopentanoate", "names": [ "(2R,4S)-2,4-Diaminopentanoate", "2,4-Diaminopentanoate", "D-threo-2,4-Diaminopentanoate" ] }, { "compound_id": "C03944", "inchi": "InChI=1/C19H16O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-5,8-9,19H,6-7H2,1-2H3/t9-,19+/m0/s1", "name": "Dihydro-O-methylsterigmatocystin", "names": [ "Dihydro-O-methylsterigmatocystin" ] }, { "compound_id": "C03946", "inchi": "InChI=1S/C21H20O8/c22-10-14-16(24)17(25)18(26)21(28-14)29-20-15(23)12-8-4-5-9-13(12)27-19(20)11-6-2-1-3-7-11/h1-9,14,16-18,21-22,24-26H,10H2/t14-,16-,17+,18-,21+/m1/s1", "name": "Flavonol 3-O-beta-D-glucoside", "names": [ "Flavonol 3-O-D-glucoside", "Flavonol 3-O-beta-D-glucoside" ] }, { "compound_id": "C03947", "inchi": "InChI=1S/C3H7O5P/c4-1-3-2-7-9(5,6)8-3/h3-4H,1-2H2,(H,5,6)", "name": "Glycerol 1,2-cyclic phosphate", "names": [ "1,3,2-Dioxaphospholane-4-methanol", "Glycerol 1,2-cyclic phosphate" ] }, { "compound_id": "C03948", "inchi": "InChI=1S/C8H13NO7/c10-1-3-6(13)7(14)5(8(15)16-3)9-4(12)2-11/h3,5-7,10-11,13-14H,1-2H2,(H,9,12)/t3-,5+,6-,7-/m1/s1", "name": "N-Glycolyl-D-mannosaminolactone", "names": [ "Glycolyl-D-mannosaminolactone", "N-Glycolyl-D-mannosaminolactone" ] }, { "compound_id": "C03951", "inchi": "InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1", "name": "Luteolin 7-O-beta-D-glucoside", "names": [ "7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone", "Luteolin 7-O-beta-D-glucoside", "Luteolin 7-O-glucoside" ] }, { "compound_id": "C03953", "inchi": "InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1", "name": "N-Acetylglucosamine 4-sulfate", "names": [ "N-Acetyl-D-glucosamine 4-sulfate", "N-Acetylglucosamine 4-sulfate" ] }, { "compound_id": "C03954", "inchi": "InChI=1S/C15H13NO2/c1-10(17)16(18)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,18H,8H2,1H3", "name": "N-Hydroxy-2-acetamidofluorene", "names": [ "N-Hydroxy-2-acetamidofluorene" ] }, { "compound_id": "C03955", "inchi": "InChI=1S/C8H16N2O4/c1-6(11)10(14)5-3-2-4-7(9)8(12)13/h7,14H,2-5,9H2,1H3,(H,12,13)/t7-/m0/s1", "name": "N6-Acetyl-N6-hydroxy-L-lysine", "names": [ "N6-Acetyl-N6-hydroxy-L-lysine", "N6-Acetyl-N6-hydroxylysine" ] }, { "compound_id": "C03956", "inchi": null, "name": "Oligoglycosylglucosylceramide", "names": [ "Oligoglycosylglucosylceramide" ] }, { "compound_id": "C03957", "inchi": null, "name": "Peptide 3-hydroxy-L-aspartate", "names": [ "Peptide 3-hydroxy-L-aspartate" ] }, { "compound_id": "C03958", "inchi": "InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1", "name": "Thyrotropin-releasing hormone", "names": [ "Protirelin", "TRH", "Thyroliberin", "Thyrotropin-releasing hormone" ] }, { "compound_id": "C03959", "inchi": null, "name": "[DNA-directed RNA polymerase]", "names": [ "[DNA-directed RNA polymerase]", "[RNA polymerase]" ] }, { "compound_id": "C03961", "inchi": "InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1", "name": "erythro-3-Hydroxy-Ls-aspartate", "names": [ "erythro-3-Hydroxy-L-aspartate", "erythro-3-Hydroxy-L-aspartic acid", "erythro-3-Hydroxy-Ls-aspartate", "erythro-3-Hydroxy-Ls-aspartic acid" ] }, { "compound_id": "C03962", "inchi": "InChI=1S/C16H30O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h8-20H,4-7H2,1-3H3/t9-,10+,11-,12-,13-,14+,15-,16?/m1/s1", "name": "(-)-Menthyl O-beta-D-glucoside", "names": [ "(-)-Menthyl O-beta-D-glucoside" ] }, { "compound_id": "C03963", "inchi": "InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1", "name": "Sarsasapogenin", "names": [ "(25S)-5beta-Spirostan-3beta-ol", "Sarsasapogenin" ] }, { "compound_id": "C03964", "inchi": "InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1", "name": "(R)-3-(4-Hydroxyphenyl)lactate", "names": [ "(R)-3-(4-Hydroxyphenyl)lactate" ] }, { "compound_id": "C03968", "inchi": null, "name": "1-Alkyl-sn-glycero-3-phosphate", "names": [ "1-Alkyl-sn-glycero-3-phosphate", "1-Alkyl-sn-glycerol 3-phosphate", "1-O-Alkyl-sn-glycerol 3-phosphate" ] }, { "compound_id": "C03969", "inchi": "InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)", "name": "1-Aminocyclopentanecarboxylate", "names": [ "1-Aminocyclopentanecarboxylate", "1-Aminocyclopentanecarboxylic acid", "Cycloleucine" ] }, { "compound_id": "C03972", "inchi": "InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)/t4-/m0/s1", "name": "2,3,4,5-Tetrahydrodipicolinate", "names": [ "(S)-2,3,4,5-Tetrahydropyridine-2,6-dicarboxylate", "2,3,4,5-Tetrahydrodipicolinate", "L-2,3,4,5-Tetrahydrodipicolinate", "delta1-Piperidine-2,6-dicarboxylate" ] }, { "compound_id": "C03974", "inchi": null, "name": "2-Acyl-sn-glycerol 3-phosphate", "names": [ "2-Acyl-sn-glycerol 3-phosphate" ] }, { "compound_id": "C03975", "inchi": "InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)", "name": "Isoxanthopterin", "names": [ "2-Amino-4,7-dihydroxypteridine", "Isoxanthopterin" ] }, { "compound_id": "C03979", "inchi": "InChI=1S/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h3-4,7-8H,2H2,1H3,(H,10,11)/t3-,4+/m0/s1", "name": "2-Dehydro-3-deoxy-L-rhamnonate", "names": [ "2-Dehydro-3-deoxy-L-rhamnonate" ] }, { "compound_id": "C03980", "inchi": "InChI=1S/C6H15N2O6P/c7-2-1-3(8)6(5(10)4(2)9)14-15(11,12)13/h2-6,9-10H,1,7-8H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1", "name": "2-Deoxystreptamine 4-phosphate", "names": [ "2-Deoxystreptamine 4-phosphate" ] }, { "compound_id": "C03981", "inchi": "InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-", "name": "2-Hydroxyethylenedicarboxylate", "names": [ "2-Hydroxybut-2-enedioic acid", "2-Hydroxyethylenedicarboxylate", "enol-Oxaloacetate", "enol-Oxaloacetic acid" ] }, { "compound_id": "C03982", "inchi": "InChI=1S/C5H11NO/c1-5(2)4-6-7-3/h4-5H,1-3H3/b6-4+", "name": "2-Methylpropanal O-methyloxime", "names": [ "2-Methylpropanal O-methyloxime", "Isobutyraldoxime O-methyl ether" ] }, { "compound_id": "C03983", "inchi": null, "name": "3'-Hydroxyloligoribonucleotide", "names": [ "3'-Hydroxyloligoribonucleotide" ] }, { "compound_id": "C03985", "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3", "name": "3,7-Dimethylocta-1,6-dien-3-ol", "names": [ "3,7-Dimethylocta-1,6-dien-3-ol", "Linalool" ] }, { "compound_id": "C03986", "inchi": "InChI=1S/C8H9NO3/c1-4-2-3-5(8(11)12)6(9)7(4)10/h2-3,10H,9H2,1H3,(H,11,12)", "name": "3-Hydroxy-4-methylanthranilate", "names": [ "3-Hydroxy-4-methylanthranilate" ] }, { "compound_id": "C03987", "inchi": "InChI=1S/C9H7IO4/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14/h1-3,11H,4H2,(H,13,14)", "name": "3-Iodo-4-hydroxyphenylpyruvate", "names": [ "3-Iodo-4-hydroxyphenylpyruvate" ] }, { "compound_id": "C03989", "inchi": "InChI=1S/C24H42O21/c25-1-6-10(29)14(33)17(36)21(40-6)39-4-9-12(31)16(35)19(38)23(42-9)45-24(5-28)20(13(32)8(3-27)44-24)43-22-18(37)15(34)11(30)7(2-26)41-22/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20?,21+,22?,23-,24+/m1/s1", "name": "Isolychnose", "names": [ "3F-alpha-D-Galactosylraffinose", "Isolychnose" ] }, { "compound_id": "C03990", "inchi": "InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1", "name": "Lithocholic acid", "names": [ "3alpha-Hydroxy-5beta-cholanate", "3alpha-Hydroxy-5beta-cholanic acid", "Lithocholate", "Lithocholic acid" ] }, { "compound_id": "C03993", "inchi": "InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1", "name": "4-(beta-D-Glucosyloxy)benzoate", "names": [ "4-(beta-D-Glucosyloxy)benzoate", "4-Hydroxybenzoate-O-glucoside" ] }, { "compound_id": "C03994", "inchi": "InChI=1S/C7H10N2O/c8-9-7-3-1-6(5-10)2-4-7/h1-4,9-10H,5,8H2", "name": "4-Hydroxymethylphenylhydrazine", "names": [ "4-Hydroxymethylphenylhydrazine" ] }, { "compound_id": "C03995", "inchi": "InChI=1/C13H16N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-12,14,16-18H,5-6H2/t7-,10+,11-,12+/m1/s1", "name": "4-Nitrophenyl-3-ketovalidamine", "names": [ "4-Nitrophenyl-3-ketovalidamine" ] }, { "compound_id": "C03996", "inchi": "InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3/t9-,11-,12+,13-,14-/m1/s1", "name": "5'-O-beta-D-Glucosylpyridoxine", "names": [ "5'-O-beta-D-Glucosylpyridoxine" ] }, { "compound_id": "C03997", "inchi": "InChI=1S/C10H16N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2,6-8,14-15H,1,3-4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1", "name": "5-Hydroxymethyldeoxycytidylate", "names": [ "2'-Deoxy-5-hydroxymethylcytidine 5'-phosphate", "5-Hydroxymethyldeoxycytidylate", "5-Hydroxymethyldeoxycytidylic acid" ] }, { "compound_id": "C03998", "inchi": "InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1", "name": "7-Methylguanosine 5'-phosphate", "names": [ "7-Methylguanosine 5'-phosphate" ] }, { "compound_id": "C03999", "inchi": "InChI=1S/C6H14NO7P/c1-4(7)6(9)14-5(2-8)3-13-15(10,11)12/h4-5,8H,2-3,7H2,1H3,(H2,10,11,12)/t4-,5+/m1/s1", "name": "Alanyl-poly(glycerolphosphate)", "names": [ "(D-Ala1->2Gro-1-P)n", "Alanyl-poly(glycerolphosphate)" ] }, { "compound_id": "C04000", "inchi": "InChI=1S/C12H14O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3", "name": "Benzyl 2-methyl-3-oxobutanoate", "names": [ "Benzyl 2-methyl-3-oxobutanoate" ] }, { "compound_id": "C04001", "inchi": null, "name": "Blood coagulation Factor VIIIa", "names": [ "Blood coagulation Factor VIIIa" ] }, { "compound_id": "C04002", "inchi": "InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/b4-3-", "name": "(Z)-But-1-ene-1,2,4-tricarboxylate", "names": [ "(Z)-1,2,4-But-1-enetricarboxylic acid", "(Z)-But-1-ene-1,2,4-tricarboxylate", "Homo-cis-aconitate", "cis-Homoaconitate" ] }, { "compound_id": "C04006", "inchi": "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m0/s1", "name": "1D-myo-Inositol 3-phosphate", "names": [ "1D-myo-Inositol 3-monophosphate", "1D-myo-Inositol 3-phosphate", "1L-myo-Inositol 1-phosphate", "D-myo-Inositol 3-monophosphate", "D-myo-Inositol 3-phosphate", "Inositol 3-monophosphate", "Inositol 3-phosphate", "L-myo-Inositol 1-phosphate", "myo-Inositol 3-monophosphate", "myo-Inositol 3-phosphate" ] }, { "compound_id": "C04007", "inchi": "InChI=1S/C21H22O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-6-7-13-14(23)9-15(28-16(13)8-12)11-4-2-1-3-5-11/h1-8,15,17-22,24-26H,9-10H2/t15?,17-,18-,19+,20-,21-/m1/s1", "name": "Flavanone 7-O-beta-D-glucoside", "names": [ "Flavanone 7-O-beta-D-glucoside", "Flavanone 7-O-glucoside" ] }, { "compound_id": "C04010", "inchi": null, "name": "Glycoprotein phospho-D-mannose", "names": [ "Glycoprotein phospho-D-mannose" ] }, { "compound_id": "C04013", "inchi": null, "name": "Multi-methyl-branched acyl-CoA", "names": [ "Multi-methyl-branched acyl-CoA" ] }, { "compound_id": "C04015", "inchi": "InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13+/m1/s1", "name": "N-Acetyl-4-O-acetylneuraminate", "names": [ "N,4-O-Diacetylneuraminate", "N-Acetyl-4-O-acetylneuraminate" ] }, { "compound_id": "C04016", "inchi": "InChI=1S/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1", "name": "N-Acetyl-7-O-acetylneuraminate", "names": [ "N,7-O-Diacetylneuraminate", "N-Acetyl-7-O-acetylneuraminate" ] }, { "compound_id": "C04017", "inchi": "InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1", "name": "N-Acetyl-9-O-acetylneuraminate", "names": [ "N,9-O-Diacetylneuraminate", "N-Acetyl-9-O-acetylneuraminate" ] }, { "compound_id": "C04018", "inchi": null, "name": "N-Acetyl-D-galactosaminoglycan", "names": [ "N-Acetyl-D-galactosaminoglycan" ] }, { "compound_id": "C04019", "inchi": null, "name": "N-Acetyl-alpha-D-glucosaminide", "names": [ "N-Acetyl-alpha-D-glucosaminide" ] }, { "compound_id": "C04020", "inchi": "InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6?,7-/m0/s1", "name": "D-Lysopine", "names": [ "D-Lysopine", "Lysopine", "N2-(D-1-Carboxyethyl)-L-lysine" ] }, { "compound_id": "C04021", "inchi": null, "name": "Phosphatidylinositol phosphate", "names": [ "1,2-Diacyl-sn-glycero-3-phospho-(1'-inositol-4'-phosphate)", "Phosphatidylinositol phosphate" ] }, { "compound_id": "C04022", "inchi": "InChI=1S/C5H10O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3", "name": "S,S-Dimethyl-beta-propiothetin", "names": [ "DMPT", "DMSP", "Dimethylpropiothetin", "S,S-Dimethyl-beta-propiothetin", "S-Dimethylsulfonium propionic acid" ] }, { "compound_id": "C04024", "inchi": "InChI=1S/C27H30O15/c28-7-15-20(35)22(37)26(42-27-23(38)21(36)19(34)16(8-29)41-27)25(40-15)18-12(32)5-11(31)17-13(33)6-14(39-24(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-23,25-32,34-38H,7-8H2/t15-,16-,19-,20-,21+,22+,23-,25+,26?,27?/m1/s1", "name": "Vitexin 2''-O-beta-D-glucoside", "names": [ "2''-O-Glucosylvitexin", "Flavosativaside", "Vitexin 2''-O-beta-D-glucoside" ] }, { "compound_id": "C04025", "inchi": "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)", "name": "alpha,omega-Dicarboxylic acid", "names": [ "alpha,omega-Dicarboxylic acid" ] }, { "compound_id": "C04026", "inchi": null, "name": "alpha-N-Substituted L-arginine", "names": [ "alpha-N-Substituted L-arginine" ] }, { "compound_id": "C04030", "inchi": "InChI=1S/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/t9-,12-,13-,16-/m1/s1", "name": "(2,3-Dihydroxybenzoyl)adenylate", "names": [ "(2,3-Dihydroxybenzoyl)adenylate" ] }, { "compound_id": "C04031", "inchi": null, "name": "(3S)-3-Hydroxyacyl-hydrolipoate", "names": [ "(3S)-3-Hydroxyacyl-hydrolipoate" ] }, { "compound_id": "C04033", "inchi": "InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H", "name": "1,3,6,8-Naphthalenetetrol", "names": [ "1,3,6,8-Naphthalenetetrol", "1,3,6,8-Tetrahydroxynaphthalene" ] }, { "compound_id": "C04034", "inchi": "InChI=1S/C24H42O21/c25-1-5-9(27)13(31)16(34)22(42-5)39-3-7-11(29)15(33)18(36)24(44-7)45-20-12(30)8(41-21(38)19(20)37)4-40-23-17(35)14(32)10(28)6(2-26)43-23/h5-38H,1-4H2/t5-,6-,7-,8-,9+,10+,11+,12+,13+,14+,15+,16-,17-,18-,19-,20+,21-,22-,23-,24+/m1/s1", "name": "1,6-beta-D-Galactosylgalactogen", "names": [ "1,6-beta-D-Galactosylgalactogen" ] }, { "compound_id": "C04036", "inchi": "InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)", "name": "1-Palmitoylglycerol 3-phosphate", "names": [ "1-Hexadecanoyl-sn-glycero-3-phosphate", "1-Palmitoylglycerol 3-phosphate" ] }, { "compound_id": "C04037", "inchi": "InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2+,3+,4-,6+/m0/s1", "name": "1-Phospho-alpha-D-galacturonate", "names": [ "1-Phospho-alpha-D-galacturonate", "D-Galacturonate 1-phosphate" ] }, { "compound_id": "C04039", "inchi": "InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)", "name": "2,3-Dihydroxy-3-methylbutanoate", "names": [ "2,3-Dihydroxy-3-methylbutanoate", "2,3-Dihydroxy-isovalerate", "2,3-Dihydroxy-isovaleric acid", "alpha,beta-Dihydroxy-isovalerate" ] }, { "compound_id": "C04042", "inchi": "InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1", "name": "20alpha-Hydroxy-4-pregnen-3-one", "names": [ "(S)-20-Hydroxypregn-4-en-3-one", "20alpha-Hydroxy-4-pregnen-3-one", "20alpha-Hydroxypregn-4-en-3-one", "20alpha-Hydroxyprogesterone" ] }, { "compound_id": "C04043", "inchi": "InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2", "name": "3,4-Dihydroxyphenylacetaldehyde", "names": [ "3,4-Dihydroxyphenylacetaldehyde", "Protocatechuatealdehyde" ] }, { "compound_id": "C04044", "inchi": "InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12)", "name": "3-(2,3-Dihydroxyphenyl)propanoate", "names": [ "2,3-Dihydroxyphenylpropanoate", "3-(2,3-Dihydroxyphenyl)propanoate" ] }, { "compound_id": "C04045", "inchi": "InChI=1S/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,10-11H,4H2,(H,13,14)", "name": "3-(3,4-Dihydroxyphenyl)pyruvate", "names": [ "3,4-Dihydroxyphenylpyruvate", "3-(3,4-Dihydroxyphenyl)pyruvate" ] }, { "compound_id": "C04046", "inchi": null, "name": "3-D-Glucosyl-1,2-diacylglycerol", "names": [ "1,2-Diacyl-3-beta-D-glucosyl-sn-glycerol", "3-D-Glucosyl-1,2-diacylglycerol", "Glcbeta1->3acyl2Gro", "Monoglucosyl-diacylglycerol", "Monoglucosyldiglyceride" ] }, { "compound_id": "C04047", "inchi": "InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,17-,18-,19?,23-/m1/s1", "name": "3-Hydroxy-2-methylpropanoyl-CoA", "names": [ "3-Hydroxy-2-methylpropanoyl-CoA", "3-Hydroxy-2-methylpropionyl-CoA", "3-Hydroxyisobutyryl coenzyme A", "3-Hydroxyisobutyryl-CoA" ] }, { "compound_id": "C04049", "inchi": "InChI=1S/C7H10O6/c1-7(13,3-5(9)10)2-4(8)6(11)12/h13H,2-3H2,1H3,(H,9,10)(H,11,12)", "name": "4-Hydroxy-4-methyl-2-oxoadipate", "names": [ "4-Hydroxy-4-methyl-2-oxoadipate" ] }, { "compound_id": "C04050", "inchi": "InChI=1S/C9H8N2O2/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9/h1-6,10,12H", "name": "4-Hydroxyaminoquinoline N-oxide", "names": [ "4-Hydroxyaminoquinoline N-oxide" ] }, { "compound_id": "C04051", "inchi": "InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)", "name": "5-Amino-4-imidazolecarboxyamide", "names": [ "5-Amino-4-imidazolecarboxyamide" ] }, { "compound_id": "C04052", "inchi": "InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/b2-1-", "name": "5-Carboxy-2-oxohept-3-enedioate", "names": [ "5-Carboxy-2-oxohept-3-enedioate", "5-Oxopent-3-ene-1,2,5-tricarboxylate" ] }, { "compound_id": "C04053", "inchi": "InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1", "name": "5-Dehydro-4-deoxy-D-glucuronate", "names": [ "4-Deoxy-L-threo-5-hexosulose uronate", "5-Dehydro-4-deoxy-D-glucuronate" ] }, { "compound_id": "C04054", "inchi": "InChI=1S/C60H86N13O15P.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54;/h10,14,20,22,27-28,32-35,39,50-51,54-55,74,83H,11-13,15-19,21,23-26H2,1-9H3,(H16,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,82,84,85);/q;+1/p-1/t28?,32-,33-,34-,35+,39-,50?,51-,54?,55+,57-,58+,59+,60+;/m1./s1", "name": "5-Hydroxybenzimidazolylcob(I)amide", "names": [ "5-Hydroxybenzimidazolylcob(I)amide" ] }, { "compound_id": "C04056", "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-", "name": "9-cis,11-trans-Octadecadienoate", "names": [ "(9Z,11E)-Octadecadienoic acid", "9-cis,11-trans-Octadecadienoate" ] }, { "compound_id": "C04058", "inchi": "InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1", "name": "Bis(5'-adenosyl) pentaphosphate", "names": [ "Bis(5'-adenosyl) pentaphosphate", "P1,P5-Bis(5'-adenosyl) pentaphosphate" ] }, { "compound_id": "C04061", "inchi": null, "name": "Cytochrome c N6-methyl-L-lysine", "names": [ "Cytochrome c N6-methyl-L-lysine" ] }, { "compound_id": "C04062", "inchi": "InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6-", "name": "D-myo-Inositol 1,3-bisphosphate", "names": [ "1D-myo-Inositol 1,3-bisphosphate", "D-myo-Inositol 1,3-bisphosphate", "Inositol 1,3-bisphosphate", "myo-Inositol 1,3-bisphosphate" ] }, { "compound_id": "C04063", "inchi": "InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1", "name": "D-myo-Inositol 3,4-bisphosphate", "names": [ "1D-myo-Inositol 3,4-bisphosphate", "D-myo-Inositol 3,4-bisphosphate", "Inositol 3,4-bisphosphate" ] }, { "compound_id": "C04064", "inchi": "InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1", "name": "D-myo-Inositol 4,5-bisphosphate", "names": [ "D-myo-Inositol 4,5-bisphosphate" ] }, { "compound_id": "C04067", "inchi": "InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3", "name": "Diethyl 2-methyl-3-oxosuccinate", "names": [ "Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester", "Diethyl 2-methyl-3-oxosuccinate", "Diethyl oxalpropionate" ] }, { "compound_id": "C04068", "inchi": "InChI=1S/C26H28O12/c27-14-10-34-25(21(32)18(14)29)35-11-16-19(30)20(31)22(33)26(37-16)38-24-17(28)13-8-4-5-9-15(13)36-23(24)12-6-2-1-3-7-12/h1-9,14,16,18-22,25-27,29-33H,10-11H2/t14-,16-,18+,19-,20+,21-,22-,25+,26+/m1/s1", "name": "Flavonol 3-O-D-xylosylglucoside", "names": [ "Flavonol 3-O-D-xylosylglucoside" ] }, { "compound_id": "C04069", "inchi": "InChI=1S/C26H28O12/c27-10-16-19(31)20(32)24(38-25-21(33)18(30)14(28)11-34-25)26(36-16)37-23-17(29)13-8-4-5-9-15(13)35-22(23)12-6-2-1-3-7-12/h1-9,14,16,18-21,24-28,30-33H,10-11H2/t14-,16-,18+,19?,20+,21-,24?,25?,26+/m1/s1", "name": "Flavonol 3-O-D-xylosylglycoside", "names": [ "Flavonol 3-O-D-xylosylglycoside", "Flavonol 3-O-[D-xylosyl-(1->2)-beta-D-glycoside]", "Flavonol 3-[beta-D-xylosyl-(1->2)-beta-D-glycoside]" ] }, { "compound_id": "C04070", "inchi": "InChI=1S/C25H32O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(22(2,21(32)36-25)18(25)14(23)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h4,6,11-18,20,26-29,33H,1,3,5,7-9H2,2H3,(H,30,31)/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23+,24+,25-/m1/s1", "name": "Gibberellin 2-O-beta-D-glucoside", "names": [ "Gibberellin 2-O-beta-D-glucoside" ] }, { "compound_id": "C04071", "inchi": "InChI=1S/C4H12N3O4P/c1-10-12(8,9)11-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7)", "name": "Guanidinoethyl methyl phosphate", "names": [ "Guanidinoethyl methyl phosphate" ] }, { "compound_id": "C04072", "inchi": null, "name": "Heparin-glucosamine 3-O-sulfate", "names": [ "Heparin-glucosamine 3-O-sulfate" ] }, { "compound_id": "C04073", "inchi": null, "name": "Heparosan-N-sulfate L-iduronate", "names": [ "Heparosan-N-sulfate L-iduronate" ] }, { "compound_id": "C04074", "inchi": "InChI=1S/C21H20O8/c22-9-16-18(24)19(25)20(26)21(29-16)28-12-6-7-13-15(8-12)27-10-14(17(13)23)11-4-2-1-3-5-11/h1-8,10,16,18-22,24-26H,9H2/t16-,18-,19+,20-,21-/m1/s1", "name": "Isoflavone 7-O-beta-D-glucoside", "names": [ "Isoflavone 7-O-beta-D-glucoside" ] }, { "compound_id": "C04075", "inchi": "InChI=1S/C5H8ClNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1", "name": "2-Amino-4-chloro-4-pentenoic acid", "names": [ "(S)-2-Amino-4-chloro-4-pentenoic acid", "2-Amino-4-chloro-4-pentenoic acid", "L-2-Amino-4-chloropent-4-enoate" ] }, { "compound_id": "C04076", "inchi": "InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)/t5-/m0/s1", "name": "L-2-Aminoadipate 6-semialdehyde", "names": [ "(S)-2-Amino-6-oxohexanoate", "2-Aminoadipate 6-semialdehyde", "Allysine", "L-2-Aminoadipate 6-semialdehyde", "L-Allysine" ] }, { "compound_id": "C04078", "inchi": "InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1", "name": "Methylmethionine sulfonium salt", "names": [ "Methylmethionine sulfonium chloride", "Methylmethionine sulfonium salt", "Vitamin U" ] }, { "compound_id": "C04079", "inchi": "InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1", "name": "N-((R)-Pantothenoyl)-L-cysteine", "names": [ "D-Pantothenoyl-L-cysteine", "N-((R)-Pantothenoyl)-L-cysteine", "N-Pantothenoylcysteine" ] }, { "compound_id": "C04080", "inchi": null, "name": "N-(Long-chain-acyl)ethanolamine", "names": [ "N-(Long-chain-acyl)ethanolamine" ] }, { "compound_id": "C04081", "inchi": "InChI=1S/C14H13NO2/c1-11(16)15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,17H,1H3", "name": "N-Hydroxy-4-acetylaminobiphenyl", "names": [ "N-Hydroxy-4-acetylaminobiphenyl" ] }, { "compound_id": "C04083", "inchi": "InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)", "name": "N6-(delta2-Isopentenyl)-adenine", "names": [ "6-(gamma,gamma-Dimethylallylamino)purine", "N6-(3-Methylbut-2-enyl)adenine", "N6-(delta2-Isopentenyl)-adenine", "N6-Dimethylallyladenine" ] }, { "compound_id": "C04084", "inchi": "InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,12,16-18H,4-8,10-11H2,1-3H3/t16?,17?,18?,20-,21+/m0/s1", "name": "Pregna-4,9(11)-diene-3,20-dione", "names": [ "Pregna-4,9(11)-diene-3,20-dione" ] }, { "compound_id": "C04087", "inchi": null, "name": "Protein N(tau)-methyl-L-histidine", "names": [ "Protein N(tau)-methyl-L-histidine", "Protein N-tele-methyl-L-histidine" ] }, { "compound_id": "C04088", "inchi": null, "name": "Octadecanoyl-[acyl-carrier protein]", "names": [ "Octadecanoyl-[acyl-carrier protein]", "Stearoyl-[acyl-carrier protein]" ] }, { "compound_id": "C04089", "inchi": "InChI=1S/C15H22N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6-,9-,10+,11-,12-,13-,14-/m1/s1", "name": "UDP-4-dehydro-6-deoxy-D-glucose", "names": [ "UDP-4-dehydro-6-deoxy-D-glucose", "UDP-4-keto-6-deoxy-D-glucose", "UDP-4-oxo-6-deoxy-D-glucose" ] }, { "compound_id": "C04090", "inchi": null, "name": "Ubiquitin C-terminal thiolester", "names": [ "Ubiquitin C-terminal thiolester" ] }, { "compound_id": "C04091", "inchi": "InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6+", "name": "cis-1,2-Dihydrobenzene-1,2-diol", "names": [ "cis-1,2-Dihydrobenzene-1,2-diol", "cis-Benzeneglycol", "cis-Cyclohexa-3,5-diene-1,2-diol" ] }, { "compound_id": "C04092", "inchi": "InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)", "name": "delta1-Piperideine-2-carboxylate", "names": [ "1,2-Didehydropiperidine-2-carboxylate", "d-1-Piperidine-2-carboxylate", "d-1-piperidine-2-carboxylate", "delta1-Piperideine-2-carboxylate" ] }, { "compound_id": "C04093", "inchi": "InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7-", "name": "poly-cis-Polyprenyl diphosphate", "names": [ "poly-cis-Polyprenyl diphosphate" ] }, { "compound_id": "C04097", "inchi": null, "name": "2-alpha-D-Mannosylheteroglycan", "names": [ "2-alpha-D-Mannosyl-heteroglycan", "2-alpha-D-Mannosylheteroglycan" ] }, { "compound_id": "C04098", "inchi": null, "name": "3-alpha-D-Mannosylheteroglycan", "names": [ "3-alpha-D-Mannosyl-heteroglycan", "3-alpha-D-Mannosylheteroglycan" ] }, { "compound_id": "C04099", "inchi": null, "name": "1,4-alpha-D-Glucooligosaccharide", "names": [ "1,4-alpha-D-Glucooligosaccharide" ] }, { "compound_id": "C04100", "inchi": "InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/p+1/b10-9-,13-12-", "name": "1-Linoleoylglycerophosphocholine", "names": [ "1-Linoleoyl-sn-glycero-3-phosphocholine", "1-Linoleoylglycerophosphocholine" ] }, { "compound_id": "C04101", "inchi": "InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1", "name": "1-O,6-O-Digalloyl-beta-D-glucose", "names": [ "1-O,6-O-Digalloyl-beta-D-glucose" ] }, { "compound_id": "C04102", "inchi": "InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1", "name": "1-Palmitoylglycerophosphocholine", "names": [ "1-Palmitoyl-sn-glycero-3-phosphocholine", "1-Palmitoylglycerophosphocholine" ] }, { "compound_id": "C04103", "inchi": "InChI=1S/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/t22-,23-,25-,26+,27-,28-/m1/s1", "name": "13-beta-D-Glucosyloxydocosanoate", "names": [ "13-beta-D-Glucosyloxydocosanoate" ] }, { "compound_id": "C04104", "inchi": "InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)", "name": "2,3-Dihydroxy-3-methylpentanoate", "names": [ "2,3-Dihydroxy-3-methylpentanoate", "2,3-Dihydroxy-3-methylvalerate" ] }, { "compound_id": "C04105", "inchi": "InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)", "name": "2,5-Dihydro-5-oxofuran-2-acetate", "names": [ "2,5-Dihydro-5-oxofuran-2-acetate", "2-Oxo-2,5-dihydrofuran-5-acetate", "4-Carboxymethyl-4-hydroxyisocrotonolactone", "5-Oxo-2,5-dihydrofuran-2-acetate", "Muconolactone" ] }, { "compound_id": "C04106", "inchi": "InChI=1S/C5H8O4/c6-2-1-4(3-7)5(8)9/h2,4,7H,1,3H2,(H,8,9)", "name": "2-(Hydroxymethyl)-4-oxobutanoate", "names": [ "2-(Hydroxymethyl)-4-oxobutanoate", "2-Hydroxymethyl succinate semialdehyde", "alpha-Hydroxymethyl succinate semialdehyde" ] }, { "compound_id": "C04108", "inchi": "InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11-12,15-19,24H,3-10H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1", "name": "20-Hydroxy-3-oxopregn-4-en-21-al", "names": [ "20-Hydroxy-3-oxopregn-4-en-21-al" ] }, { "compound_id": "C04109", "inchi": "InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H", "name": "3,3',4',5,7,8-Hexahydroxyflavone", "names": [ "3,3',4',5,7,8-Hexahydroxyflavone", "Gossypetin" ] }, { "compound_id": "C04110", "inchi": "InChI=1S/C10H6O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-4,11,13H", "name": "3,5-Dihydroxy-1,4-naphthoquinone", "names": [ "3,5-Dihydroxy-1,4-naphthoquinone" ] }, { "compound_id": "C04111", "inchi": "InChI=1S/C5H11N2O7P/c6-3(5(9)10)1-7-4(8)2-14-15(11,12)13/h3H,1-2,6H2,(H,7,8)(H,9,10)(H2,11,12,13)/t3-/m0/s1", "name": "3-(Phosphoacetylamido)-L-alanine", "names": [ "3-(Phosphoacetylamido)-L-alanine" ] }, { "compound_id": "C04112", "inchi": "InChI=1S/C7H8O4/c1-5(4-7(10)11)2-3-6(8)9/h2-4H,1H3,(H,8,9)(H,10,11)/b3-2-,5-4-", "name": "3-Methyl-cis,cis-hexadienedioate", "names": [ "3-Methyl-cis,cis-hexadienedioate", "3-Methyl-cis,cis-muconate" ] }, { "compound_id": "C04114", "inchi": "InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+", "name": "4-(Trimethylammonio)but-2-enoate", "names": [ "4-(Trimethylammonio)but-2-enoate" ] }, { "compound_id": "C04115", "inchi": "InChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)", "name": "4-Carboxy-4-hydroxy-2-oxoadipate", "names": [ "2-Hydroxy-4-oxobutane-1,2,4-tricarboxylate", "4-Carboxy-4-hydroxy-2-oxoadipate", "4-Hydroxy-4-carboxymethyl-2-oxoglutarate" ] }, { "compound_id": "C04116", "inchi": null, "name": "4-Substituted phenylacetonitrile", "names": [ "4-Substituted phenylacetonitrile" ] }, { "compound_id": "C04117", "inchi": null, "name": "5'-Phospho-RNA 3'-mononucleotide", "names": [ "5'-Phospho-RNA 3'-mononucleotide" ] }, { "compound_id": "C04118", "inchi": "InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1", "name": "5,8,13,13a-Tetrahydrocolumbamine", "names": [ "(13aS)-5,8,13,13a-Tetrahydro-3,9,10-trimethoxy-6H-dibenzo[a,g]quinolizin-2-ol", "(S)-Tetrahydrocolumbamine", "5,8,13,13a-Tetrahydrocolumbamine", "Isocorypalmine" ] }, { "compound_id": "C04121", "inchi": "InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10+,11-,12-,13-,14-,17-/m1/s1", "name": "CMP-3-deoxy-D-manno-octulosonate", "names": [ "CMP-3-deoxy-D-manno-octulosonate", "CMP-KDO" ] }, { "compound_id": "C04122", "inchi": "InChI=1S/C3H10NO4P/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m1/s1", "name": "D-1-Aminopropan-2-ol O-phosphate", "names": [ "(R)-1-Aminopropan-2-yl phosphate", "D-1-Aminopropan-2-ol O-phosphate" ] }, { "compound_id": "C04125", "inchi": null, "name": "[Isocitrate dehydrogenase (NADP+)]", "names": [ "[Isocitrate dehydrogenase (NADP+)]" ] }, { "compound_id": "C04126", "inchi": "InChI=1S/C3H10NO4P/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m0/s1", "name": "L-1-Aminopropan-2-ol O-phosphate", "names": [ "(S)-1-Aminopropan-2-yl phosphate", "L-1-Aminopropan-2-ol O-phosphate" ] }, { "compound_id": "C04128", "inchi": null, "name": "Low-density lipoprotein L-serine", "names": [ "Low-density lipoprotein L-serine" ] }, { "compound_id": "C04130", "inchi": "InChI=1S/C9H15N3O3/c1-4-5-6-9(12-10,8(14)15-3)11-7(2)13/h4-6H2,1-3H3/p+1", "name": "Methyl 2-diazoacetamidohexanoate", "names": [ "Methyl 2-diazoacetamidohexanoate" ] }, { "compound_id": "C04131", "inchi": "InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)", "name": "Monoamide of a dicarboxylic acid", "names": [ "Monoamide of a dicarboxylic acid" ] }, { "compound_id": "C04132", "inchi": "InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1", "name": "N-Acetyl-D-glucosamine 6-sulfate", "names": [ "N-Acetyl-D-glucosamine 6-sulfate" ] }, { "compound_id": "C04133", "inchi": "InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1", "name": "N-Acetyl-L-glutamate 5-phosphate", "names": [ "N-Acetyl-L-glutamate 5-phosphate", "N-Acetyl-L-glutamyl 5-phosphate" ] }, { "compound_id": "C04134", "inchi": null, "name": "N-Acetyl-alpha-D-galactosaminide", "names": [ "N-Acetyl-alpha-D-galactosaminide" ] }, { "compound_id": "C04135", "inchi": null, "name": "N-Acetyl-beta-D-galactosaminyl-R", "names": [ "N-Acetyl-D-galactosaminyl-R", "N-Acetyl-beta-D-galactosaminyl-R" ] }, { "compound_id": "C04136", "inchi": null, "name": "N-Acyl-D-glucosamine 6-phosphate", "names": [ "N-Acyl-D-glucosamine 6-phosphate" ] }, { "compound_id": "C04137", "inchi": "InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1", "name": "D-Octopine", "names": [ "Arginine, N2-(1-carboxyethyl)-, L-", "D-(+)-Octopine", "D-Octopine", "L-Arginine, N2-(1-carboxyethyl)-, (R)-", "L-Arginine, N2-[(1R)-1-carboxyethyl]-", "N2-(1-Carboxyethyl)-L-arginine", "N2-(D-1-Carboxyethyl)-L-arginine", "Octopine", "n-2-(d-1-carboxyethyl)-l-arginine" ] }, { "compound_id": "C04138", "inchi": "InChI=1S/C10H16N4O3/c11-8(10(16)17)1-2-9(15)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1", "name": "N(alpha)-gamma-L-Glutamylhistamine", "names": [ "N(alpha)-gamma-L-Glutamylhistamine", "Nalpha-gamma-L-glutamylhistamine" ] }, { "compound_id": "C04141", "inchi": null, "name": "Phospho-beta-adrenergic receptor", "names": [ "Phospho-beta-adrenergic receptor", "[beta-Adrenergic receptor] phosphate" ] }, { "compound_id": "C04142", "inchi": null, "name": "Protein glutamate methyl ester", "names": [ "Protein L-glutamate O5-methyl ester", "Protein L-glutamate methyl ester", "Protein glutamate methyl ester" ] }, { "compound_id": "C04144", "inchi": "InChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/t15-,16-,17-,18-/m0/s1", "name": "Tetrahydropteroyltri-L-glutamate", "names": [ "Tetrahydropteroyltri-L-glutamate" ] }, { "compound_id": "C04145", "inchi": "InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+", "name": "all-trans-Nonaprenyl diphosphate", "names": [ "Solanesyl diphosphate", "Solanesyl pyrophosphate", "all-trans-Nonaprenyl diphosphate" ] }, { "compound_id": "C04146", "inchi": "InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+", "name": "all-trans-Octaprenyl diphosphate", "names": [ "Farnesylfarnesylgeraniol", "all-trans-Octaprenyl diphosphate" ] }, { "compound_id": "C04147", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9+,10?,11-,12?/m1/s1", "name": "alpha-D-Glucosyl-(1,3)-D-mannose", "names": [ "alpha-D-Glucosyl-(1,3)-D-mannose" ] }, { "compound_id": "C04148", "inchi": "InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1", "name": "Phenylacetylglutamine", "names": [ "N2-(2-Phenylacetyl)-L-glutamine", "Phenylacetylglutamine", "alpha-N-Phenylacetyl-L-glutamine" ] }, { "compound_id": "C04149", "inchi": null, "name": "alpha-Tubulin N6-acetyl-L-lysine", "names": [ "alpha-Tubulin N6-acetyl-L-lysine" ] }, { "compound_id": "C04150", "inchi": "InChI=1S/C56H93O9P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-63-66(61,62)65-56-55(60)54(59)53(58)52(41-57)64-56/h21,23,25,27,29,31,33,35,37,39,52-60H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,61,62)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,54+,55+,56+/m1/s1", "name": "beta-D-Mannosylphosphodecaprenol", "names": [ "beta-D-Mannosylphosphodecaprenol" ] }, { "compound_id": "C04152", "inchi": null, "name": "rRNA containing N1-methylguanine", "names": [ "rRNA containing N1-methylguanine" ] }, { "compound_id": "C04153", "inchi": null, "name": "rRNA containing N2-methylguanine", "names": [ "rRNA containing N2-methylguanine" ] }, { "compound_id": "C04154", "inchi": null, "name": "rRNA containing N6-methyladenine", "names": [ "rRNA containing N6-methyladenine", "rRNA(N6-methyladenine)" ] }, { "compound_id": "C04155", "inchi": null, "name": "tRNA containing 5-methylcytosine", "names": [ "tRNA containing 5-methylcytosine" ] }, { "compound_id": "C04156", "inchi": null, "name": "tRNA containing N1-methyladenine", "names": [ "tRNA containing N1-methyladenine" ] }, { "compound_id": "C04157", "inchi": null, "name": "tRNA containing N1-methylguanine", "names": [ "tRNA containing N1-methylguanine" ] }, { "compound_id": "C04158", "inchi": null, "name": "tRNA containing N2-methylguanine", "names": [ "tRNA containing N2-methylguanine" ] }, { "compound_id": "C04159", "inchi": null, "name": "tRNA containing N6-methyladenine", "names": [ "tRNA containing N6-methyladenine" ] }, { "compound_id": "C04160", "inchi": null, "name": "tRNA containing N7-methylguanine", "names": [ "tRNA containing N7-methylguanine" ] }, { "compound_id": "C04161", "inchi": null, "name": "tRNA containing a thionucleotide", "names": [ "tRNA containing a thionucleotide" ] }, { "compound_id": "C04164", "inchi": "InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+/t10-,12-,13+,14-,15+/m1/s1", "name": "trans-Cinnamoyl beta-D-glucoside", "names": [ "1-O-trans-Cinnamoyl-beta-D-glucopyranose", "trans-Cinnamoyl beta-D-glucoside" ] }, { "compound_id": "C04165", "inchi": "InChI=1S/C16H30O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h8-20H,4-7H2,1-3H3/t9-,10+,11+,12-,13-,14+,15-,16-/m1/s1", "name": "(+)-Neomenthyl O-beta-D-glucoside", "names": [ "(+)-Neomenthyl O-beta-D-glucoside" ] }, { "compound_id": "C04166", "inchi": "InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+", "name": "(+/-)-6-Hydroxy-3-oxo-alpha-ionol", "names": [ "(+/-)-6-Hydroxy-3-oxo-alpha-ionol", "Vomifoliol" ] }, { "compound_id": "C04167", "inchi": "InChI=1S/C12H10O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11-14H/t11-,12-/m0/s1", "name": "(+/-)-trans-Acenaphthene-1,2-diol", "names": [ "(+/-)-trans-Acenaphthene-1,2-diol" ] }, { "compound_id": "C04170", "inchi": "InChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h3,14-18H,4-12H2,1-2H3/b13-3+/t14?,15?,16-,17+,18-/m0/s1", "name": "13-(2-Methylcrotonoyl)oxylupanine", "names": [ "(+)-13alpha-Tigloyloxylupanine", "13-(2-Methylcrotonoyl)oxylupanine", "13-(2-Methylcrotonoyl)oxylupinine" ] }, { "compound_id": "C04171", "inchi": "InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)/t5-,6-/m0/s1", "name": "(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate", "names": [ "(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate", "(2S,3S)-2,3-Dihydroxy-2,3-dihydroxybenzoate" ] }, { "compound_id": "C04175", "inchi": "InChI=1S/C5H12O10P2/c6-3-1-5(15-17(10,11)12)14-4(3)2-13-16(7,8)9/h3-6H,1-2H2,(H2,7,8,9)(H2,10,11,12)/t3-,4+,5+/m0/s1", "name": "2-Deoxy-D-ribose 1,5-bisphosphate", "names": [ "2-Deoxy-D-ribose 1,5-bisphosphate" ] }, { "compound_id": "C04178", "inchi": "InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H", "name": "Bromoxynil", "names": [ "3,5-Dibromo-4-hydroxybenzonitrile", "Bromoxynil" ] }, { "compound_id": "C04180", "inchi": null, "name": "cis-3-Decenoyl-[acyl-carrier protein]", "names": [ "cis-3-Decenoyl-[acyl-carrier protein]" ] }, { "compound_id": "C04181", "inchi": "InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8)", "name": "3-Hydroxy-3-methyl-2-oxobutanoic acid", "names": [ "2-Oxo-3-hydroxyisovalerate", "3-Hydroxy-3-methyl-2-oxobutanoate", "3-Hydroxy-3-methyl-2-oxobutanoic acid" ] }, { "compound_id": "C04185", "inchi": "InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)", "name": "5,6-Dihydroxyindole-2-carboxylate", "names": [ "5,6-Dihydroxyindole-2-carboxylate", "DHICA" ] }, { "compound_id": "C04186", "inchi": "InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,9H,3H2,(H,10,11)(H,12,13)(H,14,15)/b4-1-,5-2+", "name": "5-Carboxymethyl-2-hydroxymuconate", "names": [ "5-Carboxymethyl-2-hydroxymuconate" ] }, { "compound_id": "C04187", "inchi": "InChI=1S/C10H17N3O10P2/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1", "name": "5-Methyldeoxycytidine diphosphate", "names": [ "5-Methyldeoxycytidine diphosphate" ] }, { "compound_id": "C04188", "inchi": "InChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3-,4-,5-,6-/m1/s1", "name": "S-Methyl-5-thio-D-ribose 1-phosphate", "names": [ "5-methylthio-d-ribose 1-phosphate", "S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate", "S-Methyl-5-thio-D-ribose 1-phosphate", "S-Methyl-5-thio-alpha-D-ribose 1-phosphate" ] }, { "compound_id": "C04191", "inchi": "InChI=1S/C21H42N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)15(43-44(36,37)38)10(31)6(3-29)40-17)18(39-5)41-14-8(28-20(24)25)11(32)7(27-19(22)23)12(33)13(14)34/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7+,8-,9-,10-,11+,12-,13+,14?,15-,16?,17?,18?,21+/m0/s1", "name": "Dihydrostreptomycin 3''-phosphate", "names": [ "Dihydrostreptomycin 3''-phosphate" ] }, { "compound_id": "C04193", "inchi": "InChI=1S/C26H28O12/c27-14-10-34-25(21(32)18(14)29)35-11-16-19(30)20(31)22(33)26(37-16)38-24-17(28)13-8-4-5-9-15(13)36-23(24)12-6-2-1-3-7-12/h1-9,14,16,18-22,25-27,29-33H,10-11H2/t14-,16-,18+,19+,20+,21-,22-,25+,26+/m1/s1", "name": "Flavonol 3-O-D-xylosylgalactoside", "names": [ "Flavonol 3-O-D-xylosylgalactoside" ] }, { "compound_id": "C04194", "inchi": "InChI=1S/C27H30O12/c1-12-17(28)20(31)22(33)26(36-12)35-11-16-19(30)21(32)23(34)27(38-16)39-25-18(29)14-9-5-6-10-15(14)37-24(25)13-7-3-2-4-8-13/h2-10,12,16-17,19-23,26-28,30-34H,11H2,1H3/t12-,16+,17-,19+,20+,21-,22+,23+,26+,27-/m0/s1", "name": "Flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]", "names": [ "Flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]", "Flavonol 3-O-rutinoside" ] }, { "compound_id": "C04195", "inchi": null, "name": "Glycoprotein phosphatidylinositol", "names": [ "Glycoprotein phosphatidylinositol" ] }, { "compound_id": "C04196", "inchi": null, "name": "Heparosan-N-sulfate D-glucuronate", "names": [ "Heparosan-N-sulfate D-glucuronate" ] }, { "compound_id": "C04197", "inchi": "InChI=1S/C16H19NO7/c18-7-11-13(20)14(21)15(22)16(23-11)24-12(19)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-18,20-22H,5,7H2/t11-,13-,14+,15-,16+/m1/s1", "name": "Indole-3-acetyl-beta-1-D-glucoside", "names": [ "1-O-(Indol-3-yl)acetyl-beta-D-glucose", "Indole-3-acetyl-beta-1-D-glucoside" ] }, { "compound_id": "C04199", "inchi": "InChI=1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25+,26?,27?/m1/s1", "name": "Isovitexin 2''-O-beta-D-glucoside", "names": [ "Isovitexin 2''-O-beta-D-glucoside" ] }, { "compound_id": "C04201", "inchi": "InChI=1S/C10H13NO6S/c1-16-10(12)9(11)6-7-2-4-8(5-3-7)17-18(13,14)15/h2-5,9H,6,11H2,1H3,(H,13,14,15)/t9-/m0/s1", "name": "L-Tyrosine methyl ester 4-sulfate", "names": [ "L-Tyrosine methyl ester 4-sulfate" ] }, { "compound_id": "C04202", "inchi": null, "name": "Long-chain-fatty-acyl ethyl ester", "names": [ "Long-chain-fatty-acyl ethyl ester" ] }, { "compound_id": "C04203", "inchi": "InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3", "name": "N,N-Dimethyl-1,4-phenylenediamine", "names": [ "N,N-Dimethyl-1,4-phenylenediamine", "N,N-Dimethyl-p-phenylenediamine", "p-Amino-N,N-dimethylaniline" ] }, { "compound_id": "C04204", "inchi": "InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1", "name": "N-(2,3-Dihydroxybenzoyl)-L-serine", "names": [ "2,3-Dihydroxy-N-benzoyl-L-serine", "2,3-Dihydroxybenzoylserine", "N-(2,3-Dihydroxybenzoyl)-L-serine" ] }, { "compound_id": "C04205", "inchi": "InChI=1S/C9H7Cl2NO3/c10-6-2-1-5(3-7(6)11)12-8(13)4-9(14)15/h1-3H,4H2,(H,12,13)(H,14,15)", "name": "N-(3,4-Dichlorophenyl)-malonamate", "names": [ "N-(3,4-Dichlorophenyl)-malonamate" ] }, { "compound_id": "C04207", "inchi": "InChI=1S/C14H11NO4/c16-10-6-7-11(14(18)19)12(8-10)15-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,15,17)(H,18,19)", "name": "N-Benzoyl-4-hydroxyanthranilate", "names": [ "N-Benzoyl-4-hydroxyanthranilate" ] }, { "compound_id": "C04208", "inchi": "InChI=1S/C15H13NO4/c1-20-11-7-8-12(15(18)19)13(9-11)16-14(17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)(H,18,19)", "name": "N-Benzoyl-4-methoxyanthranilate", "names": [ "N-Benzoyl-4-methoxyanthranilate" ] }, { "compound_id": "C04209", "inchi": "InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1", "name": "3-(Carboxycarbonylamino)-L-alanine", "names": [ "3-(Carboxycarbonylamino)-L-alanine", "L-alpha-Amino-beta-oxalylaminopropionic acid", "N3-Oxalyl-L-2,3-diaminopropanoate", "beta-ODAP" ] }, { "compound_id": "C04210", "inchi": "InChI=1S/C8H16N2O4/c1-5(7(11)12)10-4-2-3-6(9)8(13)14/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6-/m0/s1", "name": "N5-(L-1-Carboxyethyl)-L-ornithine", "names": [ "N5-(L-1-Carboxyethyl)-L-ornithine" ] }, { "compound_id": "C04211", "inchi": "InChI=1S/C16H21N3O3/c17-13(16(21)22)6-3-4-8-18-15(20)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,19H,3-4,6,8-9,17H2,(H,18,20)(H,21,22)/t13-/m0/s1", "name": "N(6)-[(Indol-3-yl)acetyl]-L-lysine", "names": [ "N(6)-[(Indol-3-yl)acetyl]-L-lysine", "N6-[(Indol-3-yl)acetyl]-L-lysine" ] }, { "compound_id": "C04212", "inchi": null, "name": "3',5'-Cyclic nucleotide", "names": [ "3',5'-Cyclic nucleotide", "Nucleoside 3',5'-cyclic phosphate" ] }, { "compound_id": "C04213", "inchi": null, "name": "Dolichyl diphosphooligosaccharide", "names": [ "Dolichyl diphosphooligosaccharide", "Oligosaccharide-PP-Dol", "Oligosaccharide-diphosphodolichol" ] }, { "compound_id": "C04214", "inchi": null, "name": "Phospho-[tyrosine-3-monoxygenase]", "names": [ "Phospho-[tyrosine-3-monoxygenase]" ] }, { "compound_id": "C04215", "inchi": null, "name": "Phospholipid methylene fatty acid", "names": [ "Phospholipid methylene fatty acid" ] }, { "compound_id": "C04216", "inchi": "InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)/b30-17+,31-19+,32-21+,33-23+,34-25+,35-27+", "name": "all-trans-Heptaprenyl diphosphate", "names": [ "all-trans-Heptaprenyl diphosphate" ] }, { "compound_id": "C04217", "inchi": "InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+", "name": "all-trans-Pentaprenyl diphosphate", "names": [ "Geranylfarnesyl diphosphate", "all-trans-Pentaprenyl diphosphate" ] }, { "compound_id": "C04218", "inchi": "InChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(46)32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)42(53)54-31-35-37(48)39(50)41(52)44(56-35)57-43-40(51)38(49)36(47)34(30-45)55-43/h13,15,32-41,43-52H,3-12,14,16-31H2,1-2H3/b15-13+/t32?,33?,34-,35-,36-,37-,38+,39+,40-,41-,43-,44-/m1/s1", "name": "alpha,alpha'-Trehalose 6-mycolate", "names": [ "alpha,alpha'-Trehalose 6-mycolate" ] }, { "compound_id": "C04219", "inchi": "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6?,7-,8?,9?,10+,11-,12+/m1/s1", "name": "alpha-D-Aldosyl beta-D-fructoside", "names": [ "alpha-D-Aldosyl beta-D-fructoside", "alpha-D-Aldosyl1 beta-D-fructoside", "alpha-D-Aldosyl2 beta-D-fructoside" ] }, { "compound_id": "C04221", "inchi": "InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6-/m1/s1", "name": "trans-1,2-Dihydrobenzene-1,2-diol", "names": [ "trans-1,2-Dihydrobenzene-1,2-diol" ] }, { "compound_id": "C04223", "inchi": "InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+", "name": "(+/-)-6-Hydroxy-3-oxo-alpha-ionone", "names": [ "(+/-)-6-Hydroxy-3-oxo-alpha-ionone" ] }, { "compound_id": "C04225", "inchi": "InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3-", "name": "(Z)-But-2-ene-1,2,3-tricarboxylate", "names": [ "(Z)-But-2-ene-1,2,3-tricarboxylate", "cis-2-Methylaconitate" ] }, { "compound_id": "C04226", "inchi": "InChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h3H,1-2H2,(H,7,8)(H,9,10)", "name": "6-Oxo-1,4,5,6-tetrahydronicotinate", "names": [ "1,4,5,6-Tetrahydro-6-oxonicotinate", "1,4,5,6-Tetrahydro-6-oxonicotinic acid", "6-Oxo-1,4,5,6-tetrahydronicotinate" ] }, { "compound_id": "C04227", "inchi": "InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1", "name": "1-(4-Hydroxyphenyl)-2-aminoethanol", "names": [ "1-(4-Hydroxyphenyl)-2-aminoethanol", "Octopamine", "p-Hydroxyphenylethanolamine" ] }, { "compound_id": "C04229", "inchi": "InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)", "name": "1-(Indol-3-yl)propanol 3-phosphate", "names": [ "1-(Indol-3-yl)propanol 3-phosphate", "Indolepropanol phosphate" ] }, { "compound_id": "C04230", "inchi": null, "name": "1-Acyl-sn-glycero-3-phosphocholine", "names": [ "1-Acyl-sn-glycero-3-phosphocholine", "1-Acyl-sn-glycerol-3-phosphocholine", "1-Acylglycerophosphocholine", "2-Lysolecithin", "2-Lysophosphatidylcholine", "alpha-Acylglycerophosphocholine" ] }, { "compound_id": "C04232", "inchi": null, "name": "2'-Deoxyribonucleoside diphosphate", "names": [ "2'-Deoxyribonucleoside diphosphate" ] }, { "compound_id": "C04233", "inchi": null, "name": "2-Acyl-sn-glycero-3-phosphocholine", "names": [ "1-Lysolecithin", "1-Lysophosphatidylcholine", "2-Acyl-sn-glycero-3-phosphocholine", "2-Acylglycero-3-phosphocholine", "3-Lysolecithin" ] }, { "compound_id": "C04234", "inchi": "InChI=1S/C6H13O10P/c7-1-3(8)4(9)6(12,5(10)11)2-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)/t3-,4-,6-/m1/s1", "name": "2-Carboxy-D-arabinitol 1-phosphate", "names": [ "2-Carboxy-D-arabinitol 1-phosphate", "2-Carboxyarabinitol 1-phosphate" ] }, { "compound_id": "C04235", "inchi": null, "name": "3-Acetylenic fatty acyl thioesters", "names": [ "3-Acetylenic fatty acyl thioesters" ] }, { "compound_id": "C04236", "inchi": "InChI=1S/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/t4-/m0/s1", "name": "(2S)-2-Isopropyl-3-oxosuccinate", "names": [ "(2S)-2-Isopropyl-3-oxosuccinate", "2-Oxo-4-methyl-3-carboxypentanoate", "3-Carboxy-4-methyl-2-oxopentanoate" ] }, { "compound_id": "C04237", "inchi": "InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)", "name": "3-Hydroxy-3-methyl-2-oxopentanoic acid", "names": [ "3-Hydroxy-3-methyl-2-oxopentanoate", "3-Hydroxy-3-methyl-2-oxopentanoic acid" ] }, { "compound_id": "C04239", "inchi": null, "name": "5'-Dephospho-RNA 3'-mononucleotide", "names": [ "5'-Dephospho-RNA 3'-mononucleotide" ] }, { "compound_id": "C04242", "inchi": "InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1", "name": "5-Fluorodeoxyuridine monophosphate", "names": [ "5-Fluorodeoxyuridine monophosphate" ] }, { "compound_id": "C04244", "inchi": "InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)", "name": "6-Lactoyl-5,6,7,8-tetrahydropterin", "names": [ "6-Lactoyl-5,6,7,8-tetrahydropterin" ] }, { "compound_id": "C04246", "inchi": null, "name": "But-2-enoyl-[acyl-carrier protein]", "names": [ "But-2-enoyl-[acyl-carrier protein]", "cis-but-2-enoyl-[acyl-carrier protein]" ] }, { "compound_id": "C04247", "inchi": null, "name": "D-Galactosyl-1,4-beta-D-glucosyl-R", "names": [ "D-Galactosyl-1,4-beta-D-glucosyl-R" ] }, { "compound_id": "C04248", "inchi": null, "name": "6-(alpha-D-Glucosaminyl)-1-phosphatidyl-1D-myo-inositol", "names": [ "6-(alpha-D-Glucosaminyl)-1-phosphatidyl-1D-myo-inositol", "D-Glucosaminylphosphatidylinositol" ] }, { "compound_id": "C04250", "inchi": null, "name": "DNA containing 6-O-methylguanine", "names": [ "DNA containing 6-O-methylguanine" ] }, { "compound_id": "C04251", "inchi": "InChI=1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/t16-,18-,19-,23-,25+,26+/m0/s1", "name": "Deoxylimononic acid D-ring-lactone", "names": [ "Deoxylimononic acid D-ring-lactone" ] }, { "compound_id": "C04253", "inchi": null, "name": "Electron-transferring flavoprotein", "names": [ "Electron-transferring flavoprotein" ] }, { "compound_id": "C04255", "inchi": "InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1", "name": "N-Acetyl-D-galactosamine 6-sulfate", "names": [ "N-Acetyl-D-galactosamine 6-sulfate" ] }, { "compound_id": "C04256", "inchi": "InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1", "name": "N-Acetyl-D-glucosamine 1-phosphate", "names": [ "N-Acetyl-D-glucosamine 1-phosphate", "n-acetyl--d-glucosamine 1-phosphate" ] }, { "compound_id": "C04257", "inchi": "InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7-,8?/m1/s1", "name": "N-Acetyl-D-mannosamine 6-phosphate", "names": [ "N-Acetyl-D-mannosamine 6-phosphate", "N-Acetylmannosamine 6-phosphate" ] }, { "compound_id": "C04258", "inchi": null, "name": "N-Formyl-L-methionylaminoacyl-tRNA", "names": [ "N-Formyl-L-methionylaminoacyl-tRNA" ] }, { "compound_id": "C04259", "inchi": "InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1", "name": "N,N-Dimethylhistidine", "names": [ "N,N-Dimethylhistidine", "Nalpha,Nalpha-Dimethyl-L-histidine" ] }, { "compound_id": "C04260", "inchi": null, "name": "O-D-Alanyl-poly(ribitol phosphate)", "names": [ "O-D-Alanyl-poly(ribitol phosphate)" ] }, { "compound_id": "C04261", "inchi": null, "name": "Protein N(pi)-phospho-L-histidine", "names": [ "Protein N(pi)-phospho-L-histidine", "Protein N-pros-phospho-L-histidine", "Protein N-pros-phosphohistidine", "Protein Npi-phospho-L-histidine" ] }, { "compound_id": "C04262", "inchi": null, "name": "Protein N(tau)-phospho-L-histidine", "names": [ "Protein N(tau)-phospho-L-histidine", "Protein N-tele-phospho-L-histidine", "Protein N-tele-phosphohistidine" ] }, { "compound_id": "C04264", "inchi": "InChI=1S/C9H7BrO3S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4H,5H2,(H,12,13)", "name": "S-(4-Bromophenyl)-mercaptopyruvate", "names": [ "S-(4-Bromophenyl)-mercaptopyruvate" ] }, { "compound_id": "C04265", "inchi": "InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(30)37-17-19-22(32)24(34)26(36)28(39-19)40-27-25(35)23(33)21(31)18(16-29)38-27/h18-19,21-29,31-36H,2-17H2,1H3/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1", "name": "alpha,alpha'-Trehalose 6-palmitate", "names": [ "alpha,alpha'-Trehalose 6-palmitate" ] }, { "compound_id": "C04266", "inchi": null, "name": "alpha-D-Glucosyllipopolysaccharide", "names": [ "alpha-D-Glucosyllipopolysaccharide" ] }, { "compound_id": "C04268", "inchi": "InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1", "name": "dTDP-4-amino-4,6-dideoxy-D-glucose", "names": [ "dTDP-4-amino-4,6-dideoxy-D-glucose" ] }, { "compound_id": "C04271", "inchi": "InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1", "name": "3,9-Dihydroxypterocarpan", "names": [ "(6aR,11aR)-3,9-Dihydroxypterocarpan", "3,9-Dihydroxypterocarpan" ] }, { "compound_id": "C04272", "inchi": "InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1", "name": "(R)-2,3-Dihydroxy-3-methylbutanoate", "names": [ "(2R)-2,3-Dihydroxy-3-methylbutanoate", "(R)-2,3-Dihydroxy-3-methylbutanoate", "(R)-2,3-Dihydroxy-isovalerate", "(R)-2,3-Dihydroxy-isovaleric acid" ] }, { "compound_id": "C04273", "inchi": "InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14?/m1/s1", "name": "(S)-Mandelonitrile beta-D-glucoside", "names": [ "(S)-Mandelonitrile beta-D-glucoside" ] }, { "compound_id": "C04274", "inchi": "InChI=1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2", "name": "1,2-Epoxy-3-(p-Nitrophenoxy)propane", "names": [ "1,2-Epoxy-3-(p-Nitrophenoxy)propane", "EPNP" ] }, { "compound_id": "C04275", "inchi": "InChI=1S/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3/b7-5+,8-6+/t20-,25-,26+,27-,28+/m1/s1", "name": "1,2-Bis-O-sinapoyl-beta-D-glucoside", "names": [ "1,2-Bis-O-sinapoyl-beta-D-glucoside" ] }, { "compound_id": "C04276", "inchi": null, "name": "1,6-alpha-D-Mannosyloligosaccharide", "names": [ "1,6-alpha-D-Mannosyloligosaccharide" ] }, { "compound_id": "C04277", "inchi": "InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)", "name": "1,8-Diazacyclotetradecane-2,9-dione", "names": [ "1,8-Diazacyclotetradecane-2,9-dione" ] }, { "compound_id": "C04280", "inchi": "InChI=1S/C7H15N3O5/c8-7(9)10-1-2(11)4(13)6(15)5(14)3(1)12/h1-6,11-15H,(H4,8,9,10)/t1-,2-,3+,4+,5-,6-", "name": "1-Guanidino-1-deoxy-scyllo-inositol", "names": [ "1-Guanidino-1-deoxy-scyllo-inositol", "Amidino-scyllo-inosamine" ] }, { "compound_id": "C04281", "inchi": "InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)/t3-,4+/m1/s1", "name": "L-1-Pyrroline-3-hydroxy-5-carboxylate", "names": [ "(3R,5S)-1-Pyrroline-3-hydroxy-5-carboxylate", "3-Hydroxy-L-1-pyrroline-5-carboxylate", "L-1-Pyrroline-3-hydroxy-5-carboxylate" ] }, { "compound_id": "C04282", "inchi": "InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h3,7H,1-2H2,(H,8,9)", "name": "1-Pyrroline-4-hydroxy-2-carboxylate", "names": [ "1-Pyrroline-4-hydroxy-2-carboxylate" ] }, { "compound_id": "C04283", "inchi": null, "name": "2'-Deoxyribonucleoside triphosphate", "names": [ "2'-Deoxyribonucleoside triphosphate" ] }, { "compound_id": "C04284", "inchi": "InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3", "name": "2-Heptyl-4-hydroxyquinoline-N-oxide", "names": [ "2-Heptyl-4-hydroxyquinoline-N-oxide", "HQNO" ] }, { "compound_id": "C04285", "inchi": "InChI=1S/C9H6Br2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)", "name": "3,5-Dibromo-4-hydroxyphenylpyruvate", "names": [ "3,5-Dibromo-4-hydroxyphenylpyruvate" ] }, { "compound_id": "C04286", "inchi": "InChI=1S/C9H6N2O8/c12-7(9(14)15)3-4-1-5(10(16)17)8(13)6(2-4)11(18)19/h1-2,13H,3H2,(H,14,15)", "name": "3,5-Dinitro-4-hydroxyphenylpyruvate", "names": [ "3,5-Dinitro-4-hydroxyphenylpyruvate" ] }, { "compound_id": "C04287", "inchi": "InChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4,6-7,9,11H,1H2/t2-,4+,6-/m1/s1", "name": "3D-(3,5/4)-Trihydroxycyclohexane-1,2-dione", "names": [ "(3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione", "3,5/4-Trihydroxycyclohexa-1,2-dione", "3D-(3,5/4)-Trihydroxycyclohexane-1,2-dione", "D-2,3-Diketo-4-deoxy-epi-inositol" ] }, { "compound_id": "C04290", "inchi": "InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-6,9,13,18H,7-8,17H2,1-2H3,(H,19,20)/t13-/m0/s1", "name": "4-(3-Methylbut-2-enyl)-L-tryptophan", "names": [ "4-(3-Methylbut-2-enyl)-L-tryptophan" ] }, { "compound_id": "C04291", "inchi": "InChI=1S/C14H15N3O/c1-16(2)13-10-8-12(9-11-13)15-17(18)14-6-4-3-5-7-14/h3-11H,1-2H3/b17-15-", "name": "4-(Dimethylamino)phenylazoxybenzene", "names": [ "4-(Dimethylamino)phenylazoxybenzene" ] }, { "compound_id": "C04292", "inchi": null, "name": "5'-Phosphonucleoside 3'-diphosphate", "names": [ "5'-Phosphonucleoside 3'-diphosphate" ] }, { "compound_id": "C04293", "inchi": "InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3", "name": "Chrysoeriol", "names": [ "3'-O-Methylluteolin", "5,7,4'-Trihydroxy-3'-methoxyflavone", "Chrysoeriol" ] }, { "compound_id": "C04294", "inchi": "InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3", "name": "5-(2-Hydroxyethyl)-4-methylthiazole", "names": [ "4-Methyl-5-(2'-hydroxyethyl)-thiazole", "4-Methyl-5-(2-hydroxyethyl)-thiazole", "5-(2-Hydroxyethyl)-4-methylthiazole" ] }, { "compound_id": "C04295", "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1", "name": "Androstenediol", "names": [ "3beta,17beta-Dihydroxy-5-androstene", "3beta,17beta-Dihydroxyandrost-5-ene", "Androst-5-ene-3beta,17beta-diol", "Androstenediol" ] }, { "compound_id": "C04297", "inchi": "InChI=1S/C15H23N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,8-,9-,11-,12-,13-,14-/m1/s1", "name": "CDP-4-dehydro-3,6-dideoxy-D-glucose", "names": [ "CDP-3,6-dideoxy-D-erythro-hexos-4-ulose", "CDP-4-dehydro-3,6-dideoxy-D-glucose" ] }, { "compound_id": "C04298", "inchi": null, "name": "Citrate (pro-3S)-lyase (thiol form)", "names": [ "Citrate (pro-3S)-lyase (thiol form)", "[Citrate (pro-3S)-lyase](thiol form)" ] }, { "compound_id": "C04299", "inchi": "InChI=1S/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/t1-,2-,3+,4+,5-,6+/m0/s1", "name": "D-myo-Inositol 1,2-cyclic phosphate", "names": [ "1D-myo-Inositol 1,2-cyclic phosphate", "D-myo-Inositol 1,2-cyclic phosphate" ] }, { "compound_id": "C04300", "inchi": "InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18+,19+,20-,21+,23-,24?/m1/s1", "name": "Estradiol-17alpha 3-D-glucuronoside", "names": [ "Estradiol-17alpha 3-D-glucuronoside" ] }, { "compound_id": "C04301", "inchi": "InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1", "name": "N(alpha)-t-Butoxycarbonyl-L-leucine", "names": [ "N(alpha)-t-Butoxycarbonyl-L-leucine" ] }, { "compound_id": "C04302", "inchi": "InChI=1S/C12H16NO9P/c14-9-8(5-21-23(18,19)20)22-11(10(9)15)13-7-4-2-1-3-6(7)12(16)17/h1-4,8-11,13-15H,5H2,(H,16,17)(H2,18,19,20)/t8-,9-,10-,11-/m1/s1", "name": "N-(5-Phospho-D-ribosyl)anthranilate", "names": [ "N-(5-Phospho-D-ribosyl)anthranilate", "N-(5-Phospho-beta-D-ribosyl)anthranilate", "N-(5-Phosphoribosyl)anthranilic acid" ] }, { "compound_id": "C04303", "inchi": "InChI=1S/C19H22N6O4/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22)/t16-/m1/s1", "name": "N-Benzoyl-D-arginine-4-nitroanilide", "names": [ "Bz-Arg-p-nitroanilide", "N-Benzoyl-D-arginine-4-nitroanilide" ] }, { "compound_id": "C04305", "inchi": null, "name": "N-Long-chain-fatty-acyl-L-glutamate", "names": [ "N-Long-chain-fatty-acyl-L-glutamate" ] }, { "compound_id": "C04307", "inchi": "InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-48(38,39)46-49(40,45-47(35,36)37)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,38,39)(H2,21,23,25)(H2,22,24,26)(H2,35,36,37)/t7-,8-,11-,12-,13-,14-,19-,20-,49?/m1/s1", "name": "P1,P2-Bis(5'-adenosyl) triphosphate", "names": [ "P1,P2-Bis(5'-adenosyl) triphosphate" ] }, { "compound_id": "C04308", "inchi": null, "name": "Phosphatidyl-N-dimethylethanolamine", "names": [ "Phosphatidyl-N-dimethylethanolamine" ] }, { "compound_id": "C04309", "inchi": "InChI=1S/C4H7O7P/c1-2(3(5)4(6)7)11-12(8,9)10/h3,5H,1H2,(H,6,7)(H2,8,9,10)", "name": "Phosphoenol-4-deoxy-3-tetrulosonate", "names": [ "Phosphoenol-4-deoxy-3-tetrulosonate" ] }, { "compound_id": "C04311", "inchi": null, "name": "Protein L-isoaspartate methyl ester", "names": [ "Protein L-isoaspartate alpha-methyl ester", "Protein L-isoaspartate methyl ester" ] }, { "compound_id": "C04312", "inchi": null, "name": "RNA terminal-2',3'-cyclic-phosphate", "names": [ "RNA terminal-2',3'-cyclic-phosphate" ] }, { "compound_id": "C04313", "inchi": null, "name": "beta-Substituted alpha-L-amino acid", "names": [ "beta-Substituted alpha-L-amino acid" ] }, { "compound_id": "C04314", "inchi": "InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1", "name": "cis-1,2-Dihydronaphthalene-1,2-diol", "names": [ "(1R,2S)-1,2-Dihydronaphthalene-1,2-diol", "cis-1,2-Dihydronaphthalene-1,2-diol" ] }, { "compound_id": "C04315", "inchi": null, "name": "sn-3-D-Galactosyl-sn-2-acylglycerol", "names": [ "Gal-beta1->3acyl1Gro", "Galbeta1->3acyl1Gro", "Mono-beta-D-galactosylacylglycerol", "Monogalactosyl-monoacylglycerol", "sn-3-D-Galactosyl-sn-2-acylglycerol" ] }, { "compound_id": "C04316", "inchi": "InChI=1S/C29H48N7O18P3S/c1-28(2,23(40)26(41)32-9-6-18(37)31-10-11-58-19(38)12-29(42)7-4-3-5-8-29)14-51-57(48,49)54-56(46,47)50-13-17-22(53-55(43,44)45)21(39)27(52-17)36-16-35-20-24(30)33-15-34-25(20)36/h15-17,21-23,27,39-40,42H,3-14H2,1-2H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,21-,22-,23?,27-/m1/s1", "name": "(1-Hydroxycyclohexan-1-yl)acetyl-CoA", "names": [ "(1-Hydroxycyclohexan-1-yl)acetyl-CoA" ] }, { "compound_id": "C04317", "inchi": null, "name": "1-Organyl-2-lyso-sn-glycero-3-phosphocholine", "names": [ "1-Alkyl-2-lyso-sn-glycero-3-phosphocholine", "1-Alkyl-sn-glycero-3-phosphocholine", "1-Organyl-2-lyso-sn-glycero-3-phosphocholine", "1-Radyl-2-lyso-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C04318", "inchi": "InChI=1S/C22H28N2O5/c1-4-20-8-5-10-24-11-9-21(16(20)24)14-7-6-13(25)12-15(14)23(2)17(21)22(28,18(20)26)19(27)29-3/h5-8,12,16-18,25-26,28H,4,9-11H2,1-3H3/t16-,17+,18+,20+,21+,22-/m0/s1", "name": "11-O-Demethyl-17-O-deacetylvindoline", "names": [ "11-O-Demethyl-17-O-deacetylvindoline" ] }, { "compound_id": "C04322", "inchi": "InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)", "name": "delta-1-Pyrroline-5-carboxylate", "names": [ "3,4-Dihydro-2H-Pyrrole-2-carboxylate", "delta-1-Pyrroline-5-carboxylate" ] }, { "compound_id": "C04323", "inchi": "InChI=1S/C9H6Cl2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)", "name": "3,5-Dichloro-4-hydroxyphenylpyruvate", "names": [ "3,5-Dichloro-4-hydroxyphenylpyruvate" ] }, { "compound_id": "C04324", "inchi": "InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2+,4-1+", "name": "2-Hydroxy-4-carboxyhexa-2,4-dienedioate", "names": [ "2-Hydroxy-4-carboxyhexa-2,4-dienedioate", "4-Carboxy-2-hydroxy-cis,cis-muconate", "4-Carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate" ] }, { "compound_id": "C04327", "inchi": "InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)", "name": "4-Methyl-5-(2-phosphoethyl)-thiazole", "names": [ "4-Methyl-5-(2-phosphoethyl)-thiazole", "4-Methyl-5-(2-phosphono-oxyethyl)-thiazole", "4-methyl-5-(2-phosphonoxyethyl)-thiazole" ] }, { "compound_id": "C04328", "inchi": null, "name": "5'-Phosphomonoester oligonucleotides", "names": [ "5'-Phosphomonoester oligonucleotides" ] }, { "compound_id": "C04330", "inchi": "InChI=1S/C31H43N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,12-14,17-20,22,24-26,30,38-39,42-44H,7-11H2,1-2H3,(H6-,32,33,34,35,40,41,45,46,47,48,49)/p+1/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1", "name": "5,10-Methenyltetrahydromethanopterin", "names": [ "5,10-Methenyl-5,6,7,8-tetrahydromethanopterin", "5,10-Methenyltetrahydromethanopterin", "N5,N10-Methenyltetrahydromethanopterin" ] }, { "compound_id": "C04332", "inchi": "InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1", "name": "6,7-Dimethyl-8-(D-ribityl)lumazine", "names": [ "6,7-Dimethyl-8-(D-ribityl)lumazine" ] }, { "compound_id": "C04333", "inchi": "InChI=1S/C12H20O10/c13-1-5-7(15)9(17)11(21-5)3-20-12(4-19-11)10(18)8(16)6(2-14)22-12/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1", "name": "Bis-D-fructose 2',1:2,1'-dianhydride", "names": [ "2,1' dianhydride", "Bis-D-fructose 2',1:2,1'-dianhydride", "Di-D-fructose 1,2'", "Difructose anhydride I" ] }, { "compound_id": "C04334", "inchi": null, "name": "Citrate (pro-3S)-lyase (acetyl form)", "names": [ "Citrate (pro-3S)-lyase (acetyl form)", "[Citrate (pro-3S)-lyase](acetyl form)" ] }, { "compound_id": "C04335", "inchi": "InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1", "name": "N(alpha)-Benzyloxycarbonyl-L-leucine", "names": [ "N(alpha)-Benzyloxycarbonyl-L-leucine" ] }, { "compound_id": "C04336", "inchi": "InChI=1S/C8H16NO10P/c10-1-4(11)9-5-7(13)6(12)3(19-8(5)14)2-18-20(15,16)17/h3,5-8,10,12-14H,1-2H2,(H,9,11)(H2,15,16,17)/t3-,5+,6-,7-,8-/m1/s1", "name": "N-Glycolyl-D-mannosamine 6-phosphate", "names": [ "N-Glycolyl-D-mannosamine 6-phosphate" ] }, { "compound_id": "C04337", "inchi": "InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1", "name": "Ngamma-Nitro-L-arginine methyl ester", "names": [ "Ngamma-Nitro-L-arginine methyl ester" ] }, { "compound_id": "C04339", "inchi": null, "name": "Peptide N-(ADP-D-ribosyl)diphthamide", "names": [ "EF-2 N-(ADP-D-ribosyl)diphthamide", "Elongation factor 2 N-(ADP-D-ribosyl)diphthamide", "Peptide N-(ADP-D-ribosyl)diphthamide" ] }, { "compound_id": "C04340", "inchi": null, "name": "Phospholipid cyclopropane fatty acid", "names": [ "Phospholipid cyclopropane fatty acid" ] }, { "compound_id": "C04341", "inchi": null, "name": "Ribosomal-protein N-acetyl-L-alanine", "names": [ "Ribosomal-protein N-acetyl-L-alanine" ] }, { "compound_id": "C04342", "inchi": null, "name": "Soluble variant-surface-glycoprotein", "names": [ "Soluble variant-surface-glycoprotein" ] }, { "compound_id": "C04346", "inchi": "InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1", "name": "dTDP-4-amino-4,6-dideoxy-D-galactose", "names": [ "dTDP-4-amino-4,6-dideoxy-D-galactose" ] }, { "compound_id": "C04347", "inchi": null, "name": "(+)-2,3-Dienoyl fatty acyl thioesters", "names": [ "(+)-2,3-Dienoyl fatty acyl thioesters" ] }, { "compound_id": "C04348", "inchi": "InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t12-,13+,17+,18+,19?,23+/m0/s1", "name": "(3S)-3-Carboxy-3-hydroxypropanoyl-CoA", "names": [ "(3S)-3-Carboxy-3-hydroxypropanoyl-CoA", "(3S)-3-Carboxy-3-hydroxypropionyl-CoA", "(r,s)-malyl-coa", "L-Malyl-CoA", "Malyl-CoA" ] }, { "compound_id": "C04349", "inchi": "InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,7-8H,1-2H2,(H,11,12)/t3-/m0/s1", "name": "(4S)-4,6-Dihydroxy-2,5-dioxohexanoate", "names": [ "(4S)-4,6-Dihydroxy-2,5-dioxohexanoate", "2,5-Diketo-3-deoxy-D-gluconate", "3-Deoxy-D-glycero-2,5-hexodiulosonate" ] }, { "compound_id": "C04350", "inchi": "InChI=1S/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2/b9-6+", "name": "(E)-4-Hydroxyphenylacetaldehyde-oxime", "names": [ "(E)-4-Hydroxyphenylacetaldehyde-oxime" ] }, { "compound_id": "C04351", "inchi": "InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-7,10,12H,1-2H3/b11-8+/t10-/m0/s1", "name": "(R)-2-Methylimino-1-phenylpropan-1-ol", "names": [ "(R)-2-Methylimino-1-phenylpropan-1-ol" ] }, { "compound_id": "C04352", "inchi": "InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1", "name": "(R)-4'-Phosphopantothenoyl-L-cysteine", "names": [ "(R)-4'-Phosphopantothenoyl-L-cysteine", "N-[(R)-4'-Phosphopantothenoyl]-L-cysteine" ] }, { "compound_id": "C04353", "inchi": "InChI=1S/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2/b9-6-", "name": "(Z)-4-Hydroxyphenylacetaldehyde oxime", "names": [ "(Z)-4-Hydroxyphenylacetaldehyde oxime", "(Z)-[4-Hydroxyphenylacetaldehyde oxime]" ] }, { "compound_id": "C04354", "inchi": "InChI=1S/C12H18O13/c13-1-2(14)7(10(20)21)24-12(5(1)17)25-8-4(16)3(15)6(9(18)19)23-11(8)22/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2-,3-,4-,5+,6-,7-,8+,11?,12-/m0/s1", "name": "1,2-beta-D-Glucuronosyl-D-glucuronate", "names": [ "(1->2)-beta-D-Glucuronosyl-D-glucuronate", "1,2-beta-D-Glucuronosyl-D-glucuronate" ] }, { "compound_id": "C04359", "inchi": "InChI=1S/C7H15O9P/c1-3(8)5(10)7(12)6(11)4(9)2-16-17(13,14)15/h4-7,9-12H,2H2,1H3,(H2,13,14,15)/t4-,5-,6-,7+/m1/s1", "name": "1-Deoxy-D-altro-heptulose 7-phosphate", "names": [ "1-Deoxy-D-altro-heptulose 7-phosphate" ] }, { "compound_id": "C04360", "inchi": "InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1", "name": "1-O,2-O,6-O-Trigalloyl-beta-D-glucose", "names": [ "1,2,6-Trigalloylglucose", "1-O,2-O,6-O-Trigalloyl-beta-D-glucose" ] }, { "compound_id": "C04361", "inchi": null, "name": "1-O-Alkyl-2-acetyl-3-acyl-sn-glycerol", "names": [ "1-O-Alkyl-2-acetyl-3-acyl-sn-glycerol", "2-Acetyl-1-O-alkyl-3-acyl-sn-glycerol" ] }, { "compound_id": "C04364", "inchi": null, "name": "2-Hexadecenoyl-[acyl-carrier protein]", "names": [ "2-Hexadecenoyl-[acyl-carrier protein]" ] }, { "compound_id": "C04365", "inchi": null, "name": "3'-Hydroxy-terminated oligonucleotide", "names": [ "3'-Hydroxy-terminated oligonucleotide" ] }, { "compound_id": "C04366", "inchi": "InChI=1S/C9H8O6/c10-7(11)3-1-6(5-9(14)15)2-4-8(12)13/h1-5H,(H,10,11)(H,12,13)(H,14,15)/b3-1-,4-2+,6-5+", "name": "3-(2-Carboxyethenyl)-cis,cis-muconate", "names": [ "3-(2-Carboxyethenyl)-cis,cis-muconate" ] }, { "compound_id": "C04367", "inchi": "InChI=1S/C9H8I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,12-13H,3H2,(H,14,15)", "name": "3-(3,5-Diiodo-4-hydroxyphenyl)lactate", "names": [ "(3,5-diiodo-4-hydroxyphenyl)lactate", "3-(3,5-Diiodo-4-hydroxyphenyl)lactate" ] }, { "compound_id": "C04368", "inchi": "InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)", "name": "3-Amino-3-(4-hydroxyphenyl)propanoate", "names": [ "3-Amino-3-(4-hydroxyphenyl)propanoate", "beta-Tyrosine" ] }, { "compound_id": "C04371", "inchi": "InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)", "name": "3-Mercapto-2-mercaptomethylpropanoate", "names": [ "3-Mercapto-2-mercaptomethylpropanoate" ] }, { "compound_id": "C04372", "inchi": null, "name": "3-O-L-Alanyl-1-O-phosphatidylglycerol", "names": [ "3-O-L-Alanyl-1-O-phosphatidylglycerol" ] }, { "compound_id": "C04373", "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1", "name": "Etiocholanolone", "names": [ "3alpha-Hydroxy-5beta-androstan-17-one", "3alpha-Hydroxyetiocholan-17-one", "Etiocholan-3alpha-ol-17-one", "Etiocholanolone" ] }, { "compound_id": "C04375", "inchi": null, "name": "4-N-(N-Acetyl-D-glucosaminyl)-protein", "names": [ "4-N-(N-Acetyl-D-glucosaminyl)-protein", "Peptide-N4-(N-acetyl-beta-glucosaminyl)asparagine" ] }, { "compound_id": "C04376", "inchi": "InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1", "name": "5'-Phosphoribosyl-N-formylglycinamide", "names": [ "5'-Phosphoribosyl-N-formylglycinamide", "N-Formyl-GAR", "N-Formylglycinamide ribonucleotide", "N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide" ] }, { "compound_id": "C04377", "inchi": "InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1", "name": "5,10-Methylenetetrahydromethanopterin", "names": [ "5,10-Methylenetetrahydromethanopterin", "N5,N10-Methylenetetrahydromethanopterin", "ch2-h4pteglu4" ] }, { "compound_id": "C04378", "inchi": "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)14-3-15(5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", "name": "7-alpha-D-Ribosyladenine 5'-phosphate", "names": [ "7-alpha-D-Ribosyladenine 5'-phosphate" ] }, { "compound_id": "C04379", "inchi": "InChI=1S/C21H28O3/c1-12(22)15-6-7-16-17-5-4-13-10-14(23)8-9-20(13,3)21(17)18(24-21)11-19(15,16)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19-,20+,21+/m1/s1", "name": "9,11alpha-Epoxypregn-4-ene-3,20-dione", "names": [ "9,11alpha-Epoxypregn-4-ene-3,20-dione" ] }, { "compound_id": "C04381", "inchi": null, "name": "DNA 4,6-diamino-5-formamidopyrimidine", "names": [ "DNA 4,6-diamino-5-formamidopyrimidine" ] }, { "compound_id": "C04382", "inchi": "InChI=1S/C21H42N7O15P/c1-5-21(35,4-39-44(36,37)38)16(43-17-9(26-2)13(33)10(30)6(3-29)41-17)18(40-5)42-15-8(28-20(24)25)11(31)7(27-19(22)23)12(32)14(15)34/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15?,16?,17?,18?,21+/m0/s1", "name": "Dihydrostreptomycin 3'alpha-phosphate", "names": [ "Dihydrostreptomycin 3'alpha-phosphate" ] }, { "compound_id": "C04384", "inchi": null, "name": "Heparan sulfate alpha-D-glucosaminide", "names": [ "Heparan sulfate alpha-D-glucosaminide" ] }, { "compound_id": "C04385", "inchi": "InChI=1S/C24H22O11/c25-16(26)10-17(27)32-11-15-19(29)20(30)21(31)24(34-15)35-23-18(28)13-8-4-5-9-14(13)33-22(23)12-6-2-1-3-7-12/h1-9,15,19-21,24,29-31H,10-11H2,(H,25,26)/t15-,19-,20+,21-,24+/m1/s1", "name": "Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)", "names": [ "Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)" ] }, { "compound_id": "C04386", "inchi": null, "name": "Myelin proteolipid O-palmitoylprotein", "names": [ "Myelin proteolipid O-palmitoylprotein", "O-Palmitoyl-[myelin proteolipid]" ] }, { "compound_id": "C04387", "inchi": null, "name": "N-Acetyl-D-galactosaminyl-polypeptide", "names": [ "N-Acetyl-D-galactosaminyl-polypeptide" ] }, { "compound_id": "C04390", "inchi": "InChI=1S/C9H16N2O5/c1-5(12)11-7(9(15)16)4-2-3-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7-/m0/s1", "name": "N6-Acetyl-LL-2,6-diaminoheptanedioate", "names": [ "N-Acetyl-LL-2,6-diaminoheptanedioate", "N2-Acetyl-LL-2,6-diaminoheptanedioate", "N2-Acetyl-LL-2,6-diaminopimelate", "N6-Acetyl-L-2,6-diaminoheptanedioate", "N6-Acetyl-L-2,6-diaminopimelate", "N6-Acetyl-LL-2,6-diaminoheptanedioate", "N6-Acetyl-LL-2,6-diaminopimelate" ] }, { "compound_id": "C04391", "inchi": null, "name": "O-Phospho-microsomal-membrane protein", "names": [ "O-Phospho-microsomal-membrane protein" ] }, { "compound_id": "C04392", "inchi": "InChI=1S/C20H26N8O23P4/c29-9-5(47-17(11(9)31)27-3-21-7-13(27)23-19(35)25-15(7)33)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(30)12(32)18(48-6)28-4-22-8-14(28)24-20(36)26-16(8)34/h3-6,9-12,17-18,29-32H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,33,35)(H2,24,26,34,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1", "name": "P1,P4-Bis(5'-xanthosyl) tetraphosphate", "names": [ "P1,P4-Bis(5'-xanthosyl) tetraphosphate", "XppppX" ] }, { "compound_id": "C04394", "inchi": "InChI=1S/C35H61N7O18/c1-14(45)10-19-27(28(23(12-44)58-34(19)55)60-35-24(40-18(5)46)26(48)25(47)22(11-43)59-35)57-17(4)30(50)38-15(2)29(49)42-21(13-56-37)32(52)41-20(8-6-7-9-36)31(51)39-16(3)33(53)54/h15-17,19-28,34-35,43-44,47-48,55H,6-13,36-37H2,1-5H3,(H,38,50)(H,39,51)(H,40,46)(H,41,52)(H,42,49)(H,53,54)/t15-,16+,17?,19+,20-,21+,22+,23+,24+,25+,26+,27+,28?,34+,35?/m0/s1", "name": "Peptidoglycan(N-acetyl-D-glucosamine)", "names": [ "Peptideglycan(N-acetyl-D-glucosamine)", "Peptidoglycan(N-acetyl-D-glucosamine)" ] }, { "compound_id": "C04395", "inchi": null, "name": "Phospho-[DNA-directed RNA polymerase]", "names": [ "Phospho-[DNA-directed RNA polymerase]" ] }, { "compound_id": "C04397", "inchi": null, "name": "Procollagen trans-3-hydroxy-L-proline", "names": [ "Procollagen trans-3-hydroxy-L-proline" ] }, { "compound_id": "C04398", "inchi": null, "name": "Procollagen trans-4-hydroxy-L-proline", "names": [ "Procollagen trans-4-hydroxy-L-proline" ] }, { "compound_id": "C04399", "inchi": "InChI=1S/C4H9O6PS/c1-12-4(6)3(5)2-10-11(7,8)9/h3,5H,2H2,1H3,(H2,7,8,9)/t3-/m1/s1", "name": "S-Methyl-3-phospho-1-thio-D-glycerate", "names": [ "S-Methyl-3-phospho-1-thio-D-glycerate" ] }, { "compound_id": "C04403", "inchi": "InChI=1/C61H101O9P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-68-71(66,67)70-61-60(65)59(64)58(63)57(45-62)69-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)/b47-25+,48-27+,49-29+,50-31+,51-33+,52-35+,53-37+,54-39+,55-41+,56-43+/t57-,58-,59+,60-,61+/m1/s1/f/h66H", "name": "beta-D-Glucosyl-1-phosphoundecaprenol", "names": [ "beta-D-Glucosyl-1-phosphoundecaprenol" ] }, { "compound_id": "C04404", "inchi": "InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-", "name": "trans-4-Hydroxycyclohexanecarboxylate", "names": [ "trans-4-Hydroxycyclohexanecarboxylate" ] }, { "compound_id": "C04405", "inchi": "InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13-,14-,15+,18+,19+,20?,24+/m0/s1", "name": "(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA", "names": [ "(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA", "(S)-3-Hydroxy-2-methylbutyryl-CoA" ] }, { "compound_id": "C04409", "inchi": "InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1-,5-4-", "name": "2-Amino-3-carboxymuconate semialdehyde", "names": [ "2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate", "2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate", "2-Amino-3-carboxymuconate semialdehyde" ] }, { "compound_id": "C04411", "inchi": "InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m0/s1", "name": "(2R,3S)-3-Isopropylmalate", "names": [ "(2R,3S)-3-Isopropylmalate", "2-D-threo-Hydroxy-3-carboxy-isocaproate", "3-Carboxy-2-hydroxy-4-methylpentanoate", "3-Isopropylmalate" ] }, { "compound_id": "C04415", "inchi": "InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1", "name": "4-O-beta-D-Glucosyl-4-hydroxycinnamate", "names": [ "4-O-beta-D-Glucosyl-4-hydroxycinnamate" ] }, { "compound_id": "C04416", "inchi": "InChI=1S/C28H46O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-12-16-28(30)17-21(29)11-15-27(28,6)25(22)13-14-26(23,24)5/h7-8,12,18-21,23-25,29-30H,9-11,13-17H2,1-6H3/b8-7+/t19-,20+,21-,23+,24-,25-,26+,27+,28+/m0/s1", "name": "5alpha-Ergosta-7,22-diene-3beta,5-diol", "names": [ "5alpha-Ergosta-7,22-diene-3beta,5-diol" ] }, { "compound_id": "C04417", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(21)10(24)13(27)18(32-4)34-15-5(2-20)33-17(14(28)11(15)25)30-3-6-8(22)9(23)12(26)16(29)31-6/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16+,17+,18-/m1/s1", "name": "6-alpha-D-(1,4-alpha-D-Glucano)-glucan", "names": [ "6-alpha-D-(1,4-alpha-D-Glucano)-glucan" ] }, { "compound_id": "C04418", "inchi": "InChI=1S/C20H20I2N2O5/c1-11(25)23-16(9-12-5-3-2-4-6-12)19(27)24-17(20(28)29)10-13-7-14(21)18(26)15(22)8-13/h2-8,16-17,26H,9-10H2,1H3,(H,23,25)(H,24,27)(H,28,29)/t16-,17-/m0/s1", "name": "N-Acetyl-L-phenylalanyl-L-diiodotyrosine", "names": [ "N-Acetyl-L-phenylalanyl-L-diiodotyrosine", "N-Acetylphenylalanyl-3,5-diiodotyrosine" ] }, { "compound_id": "C04419", "inchi": null, "name": "Carboxybiotin-carboxyl-carrier protein", "names": [ "Carboxybiotin-carboxyl-carrier protein" ] }, { "compound_id": "C04420", "inchi": "InChI=1S/C12H20O10/c13-1-5-7(16)9(18)12(21-5)4-19-11(3-15)10(22-12)8(17)6(2-14)20-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10?,11-,12?/m1/s1", "name": "D-Fructofuranose 1,2':2,3'-dianhydride", "names": [ "D-Fructofuranose 1,2':2,3'-dianhydride" ] }, { "compound_id": "C04421", "inchi": "InChI=1S/C11H18N2O7/c12-6(10(17)18)2-1-3-7(11(19)20)13-8(14)4-5-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1", "name": "N-Succinyl-LL-2,6-diaminoheptanedioate", "names": [ "N-Succinyl-L-2,6-diaminoheptanedioate", "N-Succinyl-L-2,6-diaminopimelate", "N-Succinyl-LL-2,6-diaminoheptanedioate", "N-Succinyl-LL-2,6-diaminopimelate" ] }, { "compound_id": "C04422", "inchi": null, "name": "N6-Alkylaminopurine-7-beta-D-glucoside", "names": [ "N6-Alkylaminopurine-7-beta-D-glucoside" ] }, { "compound_id": "C04423", "inchi": "InChI=1S/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1", "name": "Nicotinamide hypoxanthine dinucleotide", "names": [ "Nicotinamide hypoxanthine dinucleotide" ] }, { "compound_id": "C04424", "inchi": "InChI=1S/C12H23NO2S2/c1-9(2)12(15)17-8-7-10(16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)", "name": "S-(2-Methylpropanoyl)-dihydrolipoamide", "names": [ "S-(2-Methylpropanoyl)-dihydrolipoamide", "S-(2-Methylpropionyl)-dihydrolipoamide" ] }, { "compound_id": "C04425", "inchi": "InChI=1S/C15H19N5O6S/c1-27(3-2-7(21)15(24)25)4-8-10(22)11(23)14(26-8)20-6-19-9-12(16)17-5-18-13(9)20/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H2-,16,17,18,24,25)/p+1/t8-,10-,11-,14-,27-/m1/s1", "name": "S-Adenosyl-4-methylthio-2-oxobutanoate", "names": [ "S-Adenosyl-4-methylthio-2-oxobutanoate" ] }, { "compound_id": "C04426", "inchi": "InChI=1S/C17H27N3O20P2S/c1-6(22)18-10-12(25)14(39-43(32,33)34)7(4-21)37-16(10)38-42(30,31)40-41(28,29)35-5-8-11(24)13(26)15(36-8)20-3-2-9(23)19-17(20)27/h2-3,7-8,10-16,21,24-26H,4-5H2,1H3,(H,18,22)(H,28,29)(H,30,31)(H,19,23,27)(H,32,33,34)/t7-,8-,10-,11-,12-,13-,14+,15-,16-/m1/s1", "name": "UDP-N-acetyl-D-galactosamine 4-sulfate", "names": [ "UDP-N-acetyl-D-galactosamine 4-sulfate" ] }, { "compound_id": "C04427", "inchi": "InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8+,9-,10-,11+,12-,13+,14-,16+/m1/s1", "name": "UDP-N-acetyl-beta-D-mannosaminouronate", "names": [ "UDP-N-acetyl-beta-D-mannosaminouronate" ] }, { "compound_id": "C04428", "inchi": "InChI=1S/C20H35NO16/c1-5(23)21-9-13(27)11(25)7(35-18(9)32)3-33-20-17(31)15(29)12(26)8(37-20)4-34-19-16(30)14(28)10(24)6(2-22)36-19/h6-20,22,24-32H,2-4H2,1H3,(H,21,23)/t6-,7-,8-,9-,10+,11-,12+,13-,14+,15+,16-,17-,18-,19+,20-/m1/s1", "name": "alpha-D-Galactosyl-N-acetyllactosamine", "names": [ "alpha-D-Galactosyl-N-acetyllactosamine" ] }, { "compound_id": "C04429", "inchi": null, "name": "beta-D-Glucosylpoly(ribitol phosphate)", "names": [ "beta-D-Glucosylpoly(ribitol phosphate)" ] }, { "compound_id": "C04431", "inchi": "InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8)/b4-3+", "name": "cis-4-Carboxymethylenebut-2-en-4-olide", "names": [ "4-Carboxymethylenebut-2-en-4-olide", "cis-4-Carboxymethylenebut-2-en-4-olide" ] }, { "compound_id": "C04432", "inchi": null, "name": "tRNA containing 6-isopentenyladenosine", "names": [ "tRNA containing 6-isopentenyladenosine" ] }, { "compound_id": "C04433", "inchi": "InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+", "name": "(E)-3,7-Dimethylocta-1,6-diene-3,8-diol", "names": [ "(E)-3,7-Dimethylocta-1,6-diene-3,8-diol" ] }, { "compound_id": "C04434", "inchi": "InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/b3-2+", "name": "(1E)-4-Oxobut-1-ene-1,2,4-tricarboxylate", "names": [ "(1E)-4-Oxobut-1-ene-1,2,4-tricarboxylate", "4-Oxalmesaconic acid", "4-Oxalomesaconate" ] }, { "compound_id": "C04435", "inchi": "InChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5-", "name": "(Z)-2-Methyl-5-isopropylhexa-2,5-dienal", "names": [ "(Z)-2-Methyl-5-isopropylhexa-2,5-dienal", "cis-2-Methyl-5-isopropylhexa-2,5-dienal" ] }, { "compound_id": "C04437", "inchi": "InChI=1S/C10H15N2O9P/c13-7(14)1-5-2-12(4-11-5)10-9(16)8(15)6(21-10)3-20-22(17,18)19/h2,4,6,8-10,15-16H,1,3H2,(H,13,14)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1", "name": "1-(5-Phosphoribosyl)imidazole-4-acetate", "names": [ "1-(5-Phosphoribosyl)imidazole-4-acetate" ] }, { "compound_id": "C04438", "inchi": null, "name": "1-Acyl-sn-glycero-3-phosphoethanolamine", "names": [ "1-Acyl-sn-glycero-3-phosphoethanolamine", "L-2-Lysophosphatidylethanolamine" ] }, { "compound_id": "C04441", "inchi": "InChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m0/s1", "name": "2-(3-amino-3-carboxypropyl)-L-histidine", "names": [ "2-(3-amino-3-carboxypropyl)-L-histidine" ] }, { "compound_id": "C04442", "inchi": "InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)", "name": "2-Dehydro-3-deoxy-6-phospho-D-gluconate", "names": [ "2-Dehydro-3-deoxy-6-phospho-D-gluconate", "2-Dehydro-3-deoxy-D-gluconate 6-phosphate", "2-Keto-3-deoxy-6-phosphogluconate", "6-Phospho-2-dehydro-3-deoxy-D-gluconate" ] }, { "compound_id": "C04443", "inchi": "InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3", "name": "3',4',5,7-Tetrahydroxy-3-methoxyflavone", "names": [ "3',4',5,7-Tetrahydroxy-3-methoxyflavone", "3-Methoxy-5,7,3',4'-tetrahydroxyflavone", "3-O-Methylquercetin" ] }, { "compound_id": "C04444", "inchi": "InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3", "name": "3',5-Dihydroxy-3,4',7-trimethoxyflavone", "names": [ "3',5-Dihydroxy-3,4',7-trimethoxyflavone", "3,7,4'-Tri-O-methylquercetin" ] }, { "compound_id": "C04445", "inchi": "InChI=1S/C5H7NO2S/c7-5(8)4-3-9-2-1-6-4/h1-3H2,(H,7,8)", "name": "3,4-Dehydrothiomorpholine-3-carboxylate", "names": [ "3,4-Dehydrothiomorpholine-3-carboxylate" ] }, { "compound_id": "C04446", "inchi": "InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/p+1", "name": "3-(3,4-Dihydroxypyridin-1-yl)-L-alanine", "names": [ "3-(3,4-Dihydroxypyridin-1-yl)-L-alanine" ] }, { "compound_id": "C04447", "inchi": "InChI=1S/C8H9NO4/c1-9-4-3-5(13-2)6(7(9)10)8(11)12/h3-4H,1-2H3,(H,11,12)", "name": "3-Carboxy-4-methoxy-N-methyl-2-pyridone", "names": [ "3-Carboxy-4-methoxy-N-methyl-2-pyridone" ] }, { "compound_id": "C04448", "inchi": null, "name": "3-Hydroxymethyl ceph-3-em-4-carboxylate", "names": [ "3-Hydroxymethyl ceph-3-em-4-carboxylate" ] }, { "compound_id": "C04451", "inchi": "InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2-,4-1-", "name": "4-Carboxy-2-hydroxyhexa-2,4-dienedioate", "names": [ "4-Carboxy-2-hydroxyhexa-2,4-dienedioate" ] }, { "compound_id": "C04452", "inchi": "InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1", "name": "4-Nitrophenol-alpha-D-galactopyranoside", "names": [ "4-Nitrophenol-alpha-D-galactopyranoside" ] }, { "compound_id": "C04453", "inchi": "InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-25H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,27-,28+/m1/s1", "name": "4alpha-Methyl-5alpha-cholest-7-en-3-one", "names": [ "4alpha-Methyl-5alpha-cholest-7-en-3-one" ] }, { "compound_id": "C04454", "inchi": "InChI=1S/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18)/t3-,4+,6-/m0/s1", "name": "5-Amino-6-(5'-phospho-D-ribitylamino)uracil", "names": [ "5-Amino-2,6-dioxy-4-(5'-phospho-D-ribitylamino)pyrimidine", "5-Amino-6-(5'-phospho-D-ribitylamino)uracil", "5-Amino-6-(5-phospho-D-ribitylamino)uracil" ] }, { "compound_id": "C04457", "inchi": "InChI=1S/C9H19N2O8P/c1-5(10)8(13)11-6(2)9(14)19-7(3-12)4-18-20(15,16)17/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H2,15,16,17)/t5-,6-,7+/m1/s1", "name": "D-Alanyl-alanyl-poly(glycerolphosphate)", "names": [ "D-Alanyl-alanyl-poly(glycerolphosphate)" ] }, { "compound_id": "C04458", "inchi": "InChI=1S/C21H43N7O18P2/c1-5-21(34,4-30)16(44-17-9(26-2)15(46-48(38,39)40)10(31)6(3-29)42-17)18(41-5)43-13-7(27-19(22)23)11(32)8(28-20(24)25)14(12(13)33)45-47(35,36)37/h5-18,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)(H2,38,39,40)/t5-,6-,7-,8+,9-,10-,11-,12-,13?,14-,15-,16?,17?,18?,21+/m0/s1", "name": "Dihydrostreptomycin 6,3''-bis-phosphate", "names": [ "Dihydrostreptomycin 6,3''-bis-phosphate" ] }, { "compound_id": "C04459", "inchi": null, "name": "Glucuronoxylan 4-O-methyl-D-glucuronate", "names": [ "4-O-Methylglucuronoxylan", "Glucuronoxylan 4-O-methyl-D-glucuronate" ] }, { "compound_id": "C04461", "inchi": "InChI=1S/C8H17NO12P2/c1-3(10)9-5-7(12)6(11)4(2-19-22(13,14)15)20-8(5)21-23(16,17)18/h4-8,11-12H,2H2,1H3,(H,9,10)(H2,13,14,15)(H2,16,17,18)/t4-,5-,6-,7-,8-/m1/s1", "name": "N-Acetyl-D-glucosamine 1,6-bisphosphate", "names": [ "N-Acetyl-D-glucosamine 1,6-bisphosphate", "N-Acetyl-alpha-D-glucosamine 1,6-bisphosphate" ] }, { "compound_id": "C04462", "inchi": "InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-/m0/s1", "name": "N-Succinyl-2-L-amino-6-oxoheptanedioate", "names": [ "(S)-2-(Succinylamino)-6-oxoheptanedioate", "N-Succinyl-2-L-amino-6-oxoheptanedioate", "N-Succinyl-2-amino-6-oxo-L-pimelic acid", "N-Succinyl-L-2-amino-6-oxoheptanedioate", "N-Succinyl-L-2-amino-6-oxopimelate", "N-Succinyl-epsilon-keto-L-aminopimelic acid" ] }, { "compound_id": "C04465", "inchi": "InChI=1S/C76H142O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,61-72,75-84H,5-24,27-28,31-60H2,1-4H3/b29-25+,30-26+/t61?,62?,63?,64?,65-,66-,67-,68-,69+,70+,71-,72-,75-,76-/m1/s1", "name": "alpha,alpha'-Trehalose 6,6'-bismycolate", "names": [ "alpha,alpha'-Trehalose 6,6'-bismycolate" ] }, { "compound_id": "C04466", "inchi": null, "name": "alpha-2,8-Linked polymer of sialic acid", "names": [ "Poly(sialoside)", "alpha-2,8-Linked polymer of sialic acid" ] }, { "compound_id": "C04468", "inchi": "InChI=1S/C14H12O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,12,14-16H/t12-,14-/m0/s1", "name": "(+)-cis-3,4-Dihydrophenanthrene-3,4-diol", "names": [ "(+)-cis-3,4-Dihydrophenanthrene-3,4-diol", "cis-3,4-Dihydroxy-3,4-dihydrophenanthrene" ] }, { "compound_id": "C04469", "inchi": "InChI=1S/C13H17N/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11H,8H2,1-3H3", "name": "(+/-)-2-(4'-Isobutylphenyl)propionitrile", "names": [ "(+/-)-2-(4'-Isobutylphenyl)propionitrile" ] }, { "compound_id": "C04471", "inchi": "InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1", "name": "(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate", "names": [ "(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate" ] }, { "compound_id": "C04473", "inchi": null, "name": "3-alpha-D-Galactosyl-[lipopolysaccharide glucose]", "names": [ "3-alpha-D-Galactosyl-[lipopolysaccharide glucose]" ] }, { "compound_id": "C04475", "inchi": null, "name": "1-Alkyl-2-acylglycerophosphoethanolamine", "names": [ "1-Alkyl-2-acylglycerophosphoethanolamine", "1-Organyl-2-acyl-sn-glycero-3-phosphoethanolamine", "1-Radyl-2-acyl-sn-glycero-3-phosphoethanolamine", "2-Acyl-1-alkyl-sn-glycero-3-phosphoethanolamine", "O-1-Alkyl-2-acyl-sn-glycero-3-phosphoethanolamine" ] }, { "compound_id": "C04476", "inchi": null, "name": "1-Alkyl-sn-glycero-3-phosphoethanolamine", "names": [ "1-Alkyl-sn-glycero-3-phosphoethanolamine" ] }, { "compound_id": "C04477", "inchi": "InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+", "name": "1D-myo-Inositol 1,3,4,6-tetrakisphosphate", "names": [ "1D-myo-Inositol 1,3,4,6-tetrakisphosphate", "D-myo-Inositol 1,3,4,6-tetrakisphosphate", "Inositol 1,3,4,6-tetrakisphosphate" ] }, { "compound_id": "C04478", "inchi": "InChI=1S/C8H15O11P/c9-3(1-4(10)8(14)15)6(12)7(13)5(11)2-19-20(16,17)18/h3,5-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1", "name": "3-Deoxy-D-manno-octulosonate 8-phosphate", "names": [ "2-Dehydro-3-deoxy-D-octonate 8-phosphate", "3-Deoxy-D-manno-octulosonate 8-phosphate" ] }, { "compound_id": "C04479", "inchi": "InChI=1S/C9H10O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15)/b2-1-,7-3+", "name": "2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate", "names": [ "2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate" ] }, { "compound_id": "C04480", "inchi": "InChI=1S/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b2-1-,5-4-", "name": "3-Carboxy-2-hydroxymuconate semialdehyde", "names": [ "3-Carboxy-2-hydroxymuconate semialdehyde" ] }, { "compound_id": "C04482", "inchi": null, "name": "3-Phosphatidyl-1'-(3'-O-L-lysyl)glycerol", "names": [ "3-Phosphatidyl-1'-(3'-O-L-lysyl)glycerol" ] }, { "compound_id": "C04483", "inchi": "InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1", "name": "3alpha,12alpha-Dihydroxy-5beta-cholanate", "names": [ "3alpha,12alpha-Dihydroxy-5beta-cholanate", "3alpha,12alpha-Dihydroxy-5beta-cholanic acid", "Deoxycholate", "Deoxycholic acid" ] }, { "compound_id": "C04484", "inchi": "InChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b4-1+,5-3+", "name": "4-Carboxy-2-hydroxymuconate semialdehyde", "names": [ "4-Carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde", "4-Carboxy-2-hydroxymuconate semialdehyde" ] }, { "compound_id": "C04485", "inchi": "InChI=1S/C14H12O2S2/c1-11(15)16-9-3-2-5-12-7-8-14(18-12)13-6-4-10-17-13/h4,6-8,10H,3,9H2,1H3", "name": "5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene", "names": [ "5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene" ] }, { "compound_id": "C04486", "inchi": "InChI=1S/C12H10OS2/c13-8-2-1-4-10-6-7-12(15-10)11-5-3-9-14-11/h3,5-7,9,13H,2,8H2", "name": "5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene", "names": [ "3-Butyn-1-ol, 4-(5-(2-thienyl)-2-thienyl)-", "5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene" ] }, { "compound_id": "C04487", "inchi": null, "name": "5-(D-Galactosyloxy)-L-lysine-procollagen", "names": [ "5-(D-Galactosyloxy)-L-lysine-procollagen", "Procollagen 5-(D-galactosyl)-L-lysine", "Procollagen 5-(D-galactosyloxy)-L-lysine", "Procollagen beta-D-galactosyl-L-hydroxylysine" ] }, { "compound_id": "C04488", "inchi": "InChI=1S/C31H47N6O16P/c1-13(22-14(2)34-27-23(37(22)3)28(45)36-31(32)35-27)33-16-6-4-15(5-7-16)10-17(38)24(42)18(39)11-50-30-26(44)25(43)20(52-30)12-51-54(48,49)53-19(29(46)47)8-9-21(40)41/h4-7,13-14,17-20,22,24-26,30,33,38-39,42-44H,8-12H2,1-3H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,34,35,36,45)/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1", "name": "5-Methyl-5,6,7,8-tetrahydromethanopterin", "names": [ "5-Methyl-5,6,7,8-tetrahydromethanopterin", "5-Methyl-H4MPT", "5-Methyltetrahydromethanopterin" ] }, { "compound_id": "C04489", "inchi": "InChI=1S/C30H39N9O12/c1-39-16(13-33-24-23(39)26(45)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(44)36-19(29(50)51)7-10-21(41)34-17(27(46)47)6-9-20(40)35-18(28(48)49)8-11-22(42)43/h2-5,16-19,32H,6-13H2,1H3,(H,34,41)(H,35,40)(H,36,44)(H,42,43)(H,46,47)(H,48,49)(H,50,51)(H4,31,33,37,38,45)/t16-,17-,18-,19-/m0/s1", "name": "5-Methyltetrahydropteroyltri-L-glutamate", "names": [ "5-Methyltetrahydropteroyltri-L-glutamate" ] }, { "compound_id": "C04491", "inchi": "InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1", "name": "Cyanidin-3-rhamnoglucoside chloride", "names": [ "Cyanidin 3-rutinoside", "Cyanidin-3-rhamnoglucoside chloride", "Keracyanin" ] }, { "compound_id": "C04494", "inchi": "InChI=1S/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1", "name": "Guanosine 3'-diphosphate 5'-triphosphate", "names": [ "Guanosine 3'-diphosphate 5'-triphosphate", "Guanosine 5'-triphosphate,3'-diphosphate" ] }, { "compound_id": "C04498", "inchi": "InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+", "name": "p-Coumaroylagmatine", "names": [ "N-(4-Guanidinobutyl)-4-hydroxycinnamamide", "N-(4-Guanidinobutyl)-4-hydroxycinnamide", "p-Coumaroylagmatine" ] }, { "compound_id": "C04500", "inchi": "InChI=1S/C33H59NO12P2/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-17-26(5)18-11-19-27(6)20-21-43-47(39,40)46-48(41,42)45-33-30(34-28(7)36)32(38)31(37)29(22-35)44-33/h12,14,16,18,27,29-33,35,37-38H,8-11,13,15,17,19-22H2,1-7H3,(H,34,36)(H,39,40)(H,41,42)/b24-14+,25-16+,26-18-/t27?,29-,30-,31-,32-,33-/m1/s1", "name": "N-Acetyl-D-glucosaminyldiphosphodolichol", "names": [ "N-Acetyl-D-glucosaminyl-diphosphodolichol", "N-Acetyl-D-glucosaminyldiphosphodolichol" ] }, { "compound_id": "C04501", "inchi": "InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1", "name": "N-Acetyl-alpha-D-glucosamine 1-phosphate", "names": [ "N-Acetyl-alpha-D-glucosamine 1-phosphate" ] }, { "compound_id": "C04502", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-glycopeptide", "names": [ "N-Acetyl-beta-D-glucosaminyl-glycopeptide" ] }, { "compound_id": "C04503", "inchi": "InChI=1S/C4H13N3O7P2/c1-13-16(11,12)14-3-2-6-4(5)7-15(8,9)10/h2-3H2,1H3,(H,11,12)(H5,5,6,7,8,9,10)", "name": "N'-Phosphoguanidinoethyl methyl phosphate", "names": [ "N'-Phosphoguanidinoethyl methyl phosphate" ] }, { "compound_id": "C04504", "inchi": null, "name": "N3'-Acetyl-2-deoxystreptamine antibiotic", "names": [ "N3'-Acetyl-2-deoxystreptamine antibiotic" ] }, { "compound_id": "C04505", "inchi": null, "name": "Polysialic acid acetylated at O-7", "names": [ "Polysialic acid acetylated at O-7" ] }, { "compound_id": "C04506", "inchi": null, "name": "Protein C-terminal S-farnesyl-L-cysteine", "names": [ "Protein C-terminal S-farnesyl-L-cysteine" ] }, { "compound_id": "C04507", "inchi": "InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)(H,68,69)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58+,59+,60-,61-/m1/s1", "name": "alpha-D-Galactosyl-diphosphoundecaprenol", "names": [ "alpha-D-Galactosyl-diphosphoundecaprenol" ] }, { "compound_id": "C04508", "inchi": "InChI=1S/C12H26O16P2/c13-1-6(15)3-25-30(22,23)26-5-7(4-24-29(19,20)21)27-12-11(18)10(17)9(16)8(2-14)28-12/h6-18H,1-5H2,(H,22,23)(H2,19,20,21)/t6?,7-,8+,9+,10-,11+,12-/m0/s1", "name": "alpha-D-Glucosylpoly(glycerol phosphate)", "names": [ "alpha-D-Glucosylpoly(glycerol phosphate)" ] }, { "compound_id": "C04509", "inchi": "InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)/b42-23+,43-25+,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-", "name": "di-trans,poly-cis-Decaprenyl diphosphate", "names": [ "di-trans,poly-cis-Decaprenyl diphosphate", "ditrans,heptacis-Decaprenyl diphosphate" ] }, { "compound_id": "C04510", "inchi": null, "name": "tRNA 3-(3-amino-3-carboxypropyl)-uridine", "names": [ "tRNA 3-(3-amino-3-carboxypropyl)-uridine" ] }, { "compound_id": "C04511", "inchi": null, "name": "tRNA(Asp)-O-5''-beta-D-mannosylqueuosine", "names": [ "tRNA(Asp)-O-5''-beta-D-mannosylqueuosine" ] }, { "compound_id": "C04512", "inchi": null, "name": "trans,trans-2,3,4,5-Tetradehydroacyl-CoA", "names": [ "trans,trans-2,3,4,5-Tetradehydroacyl-CoA" ] }, { "compound_id": "C04514", "inchi": "InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10-/m0/s1", "name": "(1S,2S)-1,2-Dihydronaphthalene-1,2-diol", "names": [ "(1S,2S)-1,2-Dihydronaphthalene-1,2-diol", "trans-1,2-Dihydronaphthalene-1,2-diol" ] }, { "compound_id": "C04515", "inchi": null, "name": "(3S)-3-Hydroxyacyl-N-acylthioethanolamine", "names": [ "(3S)-3-Hydroxyacyl-N-acylthioethanolamine" ] }, { "compound_id": "C04516", "inchi": "InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1", "name": "1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose", "names": [ "1,2,3,6-Tetra-O-galloyl-beta-D-glucose", "1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose" ] }, { "compound_id": "C04517", "inchi": null, "name": "1-(1-Alkenyl)-sn-glycero-3-phosphocholine", "names": [ "1-(1-Alkenyl)-sn-glycero-3-phosphocholine", "1-Alkenyl-sn-glycero-3-phosphocholine", "1-Alkenylglycerophosphocholine", "1-O-Alk-1-enyl-glycero-3-phosphocholine" ] }, { "compound_id": "C04518", "inchi": "InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1", "name": "17alpha,20alpha-Dihydroxypregn-4-en-3-one", "names": [ "17alpha,20alpha-Dihydroxypregn-4-en-3-one" ] }, { "compound_id": "C04520", "inchi": "InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1", "name": "1D-myo-Inositol 3,4,5,6-tetrakisphosphate", "names": [ "1D-myo-Inositol 3,4,5,6-tetrakisphosphate", "D-myo-Inositol 3,4,5,6-tetrakisphosphate", "Inositol 3,4,5,6-tetrakisphosphate" ] }, { "compound_id": "C04521", "inchi": "InChI=1S/C11H17NO8/c1-4(14)12-7-5(15)2-11(10(17)18)19-8(6(16)3-13)9(7)20-11/h5-9,13,15-16H,2-3H2,1H3,(H,12,14)(H,17,18)/t5-,6-,7+,8+,9+,11-/m0/s1", "name": "2,7-Anhydro-alpha-N-acetylneuraminic acid", "names": [ "2,7-Anhydro-alpha-N-acetylneuraminic acid" ] }, { "compound_id": "C04522", "inchi": "InChI=1S/C6H5ClO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)", "name": "2-Chloro-2,5-dihydro-5-oxofuran-2-acetate", "names": [ "2-Chloro-2,5-dihydro-5-oxofuran-2-acetate", "2-Chloro-5-oxo-2,5-dihydrofuran-2-acetate", "5-Chloro-2,5-dihydro-2-oxofuran-5-acetate" ] }, { "compound_id": "C04524", "inchi": "InChI=1S/C14H10O8/c15-7-4-10(18)12(13(19)20)11(5-7)22-14(21)6-1-2-8(16)9(17)3-6/h1-5,15-18H,(H,19,20)", "name": "2-Protocatechoylphloroglucinolcarboxylate", "names": [ "2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate", "2-Protocatechoylphloroglucinolcarboxylate" ] }, { "compound_id": "C04525", "inchi": "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18,20-22,24-25,29H,3,7-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,27+,28-/m1/s1", "name": "Fecosterol", "names": [ "24-Methylene-5alpha-cholest-8-en-3beta-ol", "Fecosterol" ] }, { "compound_id": "C04526", "inchi": "InChI=1S/C21H42N7O14P/c1-5-6(3-29)15(40-18-10(26-2)17(42-43(35,36)37)11(31)7(4-30)39-18)19(38-5)41-16-9(28-21(24)25)12(32)8(27-20(22)23)13(33)14(16)34/h5-19,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14+,15?,16?,17-,18?,19?/m0/s1", "name": "3'-Deoxydihydrostreptomycin 3''-phosphate", "names": [ "3'-Deoxydihydrostreptomycin 3''-phosphate" ] }, { "compound_id": "C04527", "inchi": "InChI=1S/C16H12O8/c1-23-15-10(20)5-9(19)11-12(21)13(22)14(24-16(11)15)6-2-3-7(17)8(18)4-6/h2-5,17-20,22H,1H3", "name": "3,3',4',5,7-Pentahydroxy-8-methoxyflavone", "names": [ "3,3',4',5,7-Pentahydroxy-8-methoxyflavone" ] }, { "compound_id": "C04529", "inchi": "InChI=1S/C17H30O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h13,24H,2-12H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t13-,17+/m1/s1", "name": "(3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate", "names": [ "(3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate" ] }, { "compound_id": "C04530", "inchi": "InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h11,19-20,22-26,30H,8-10,12-18H2,1-7H3/t20-,22-,23+,24?,25+,26+,28-,29-/m1/s1", "name": "4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol", "names": [ "4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol", "4,4-Dimethylcholest-7-ene-3-ol" ] }, { "compound_id": "C04534", "inchi": "InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10?,11-,12?/m1/s1", "name": "6-Phospho-beta-D-glucosyl-(1,4)-D-glucose", "names": [ "6-Phospho-beta-D-glucosyl-(1,4)-D-glucose", "Cellobiose 6-phosphate" ] }, { "compound_id": "C04535", "inchi": "InChI=1S/C9H12O4/c1-6(2)7(10)4-3-5-8(11)9(12)13/h3-6,11H,1-2H3,(H,12,13)/b4-3+,8-5-", "name": "7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate", "names": [ "7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate" ] }, { "compound_id": "C04536", "inchi": "InChI=1S/C35H35N4O4.Mg/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(40)41)32(38-27)17-33-25(11-13-35(42)43-7)21(6)29(39-33)16-31-23(9-2)19(4)28(37-31)15-30(22)36-26;/h8-9,14-17H,1-2,10-13H2,3-7H3,(H2-,36,37,38,39,40,41);/q-1;+2/p-1/b26-14-,27-14-,28-15-,29-16-,30-15-,31-16-,32-17-,33-17-;", "name": "Magnesium protoporphyrin monomethyl ester", "names": [ "Magnesium protoporphyrin IX 13-methyl ester", "Magnesium protoporphyrin monomethyl ester", "Magnesium-protoporphyrin IX 13-monomethyl ester", "Mg-Protoporphyrin IX 13-monomethyl ester" ] }, { "compound_id": "C04537", "inchi": null, "name": "N,N'-Diacetylchitobiosyldiphosphodolichol", "names": [ "Chitobiosyldiphosphodolichol", "N,N'-Diacetylchitobiosyldiphosphodolichol" ] }, { "compound_id": "C04539", "inchi": null, "name": "N-Acetyl-D-glucosaminyllipopolysaccharide", "names": [ "N-Acetyl-D-glucosaminyllipopolysaccharide" ] }, { "compound_id": "C04540", "inchi": "InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1", "name": "N4-(Acetyl-beta-D-glucosaminyl)asparagine", "names": [ "1-beta-Aspartyl-N-acetyl-D-glucosaminylamine", "N4-(Acetyl-beta-D-glucosaminyl)asparagine", "N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine" ] }, { "compound_id": "C04541", "inchi": "InChI=1S/C18H20N4O6/c1-28-18(23)17(19)3-2-12-20(13-4-8-15(9-5-13)21(24)25)14-6-10-16(11-7-14)22(26)27/h4-11,17H,2-3,12,19H2,1H3/t17-/m0/s1", "name": "N5-Dinitrophenyl-L-ornithine methyl ester", "names": [ "N5-Dinitrophenyl-L-ornithine methyl ester" ] }, { "compound_id": "C04542", "inchi": null, "name": "Protein beta-D-galactosyl-L-hydroxylysine", "names": [ "Protein beta-D-galactosyl-L-hydroxylysine" ] }, { "compound_id": "C04543", "inchi": "InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)", "name": "Buthionine sulfoximine", "names": [ "Buthionine sulfoximine", "S-Butyl-DL-homocysteine-[S,R]-sulfoximine" ] }, { "compound_id": "C04544", "inchi": "InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1", "name": "gamma-L-Glutamyl-L-cysteinyl-beta-alanine", "names": [ "gamma-L-Glutamyl-L-cysteinyl-beta-alanine" ] }, { "compound_id": "C04545", "inchi": null, "name": "tRNA containing 2'-O-methylguanosine", "names": [ "tRNA containing 2'-O-methylguanosine" ] }, { "compound_id": "C04546", "inchi": "InChI=1S/C8H14O5/c1-5(9)3-8(12)13-6(2)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m1/s1", "name": "(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate", "names": [ "(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate" ] }, { "compound_id": "C04547", "inchi": "InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+", "name": "1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene", "names": [ "1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene" ] }, { "compound_id": "C04548", "inchi": "InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3", "name": "Synephrine", "names": [ "(+/-)-Synephrine", "1-(4-Hydroxyphenyl)-2-(methylamino)ethanol", "Synephrine" ] }, { "compound_id": "C04549", "inchi": null, "name": "1-Phosphatidyl-1D-myo-inositol 3-phosphate", "names": [ "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3'-phosphate)", "1-Phosphatidyl-1D-myo-inositol 3-phosphate" ] }, { "compound_id": "C04552", "inchi": "InChI=1S/C18H16O8/c1-23-12-7-11-13(14(21)17(12)24-2)15(22)18(25-3)16(26-11)8-4-5-9(19)10(20)6-8/h4-7,19-21H,1-3H3", "name": "3',4',5-Trihydroxy-3,6,7-trimethoxyflavone", "names": [ "3',4',5-Trihydroxy-3,6,7-trimethoxyflavone" ] }, { "compound_id": "C04553", "inchi": "InChI=1S/C7H6O6/c8-5(9)2-4-3(7(11)12)1-6(10)13-4/h1,4H,2H2,(H,8,9)(H,11,12)", "name": "3-Carboxy-2,5-dihydro-5-oxofuran-2-acetate", "names": [ "3-Carboxy-2,5-dihydro-5-oxofuran-2-acetate", "4-Carboxy-2,5-dihydro-2-oxofuran-5-acetate" ] }, { "compound_id": "C04554", "inchi": "InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20?,21?,22?,23-,24?,26+,27-/m1/s1", "name": "3alpha,7alpha-Dihydroxy-5beta-cholestanate", "names": [ "3alpha,7alpha-Dihydroxy-5beta-cholestanate", "3alpha,7alpha-Dihydroxy-5beta-cholestanoate" ] }, { "compound_id": "C04555", "inchi": "InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1", "name": "Dehydroepiandrosterone sulfate", "names": [ "3beta-Hydroxyandrost-5-en-17-one 3-sulfate", "DHEA sulfate", "Dehydroepiandrosterone sulfate" ] }, { "compound_id": "C04556", "inchi": "InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)", "name": "4-Amino-2-methyl-5-phosphomethylpyrimidine", "names": [ "4-Amino-2-methyl-5-phosphomethylpyrimidine", "4-Amino-5-phosphomethyl-2-methylpyrimidine" ] }, { "compound_id": "C04558", "inchi": "InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)", "name": "3-Methylmuconolactone", "names": [ "3-Methylmuconolactone", "4-Carboxymethyl-3-methylbut-2-en-1,4-olide" ] }, { "compound_id": "C04559", "inchi": "InChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)", "name": "4-Methylmuconolactone", "names": [ "4-Carboxymethyl-4-methylbut-2-en-1,4-olide", "4-Methylmuconolactone" ] }, { "compound_id": "C04561", "inchi": "InChI=1S/C12H16O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3/t9-,10+/m1/s1", "name": "Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate", "names": [ "Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate" ] }, { "compound_id": "C04562", "inchi": "InChI=1S/C12H16O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3/t9-,10-/m0/s1", "name": "Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate", "names": [ "Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate" ] }, { "compound_id": "C04563", "inchi": "InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5-,6-/m1/s1", "name": "D-myo-Inositol 1,2,4,5,6-pentakisphosphate", "names": [ "1D-myo-Inositol 1,2,4,5,6-pentakisphosphate", "D-myo-Inositol 1,2,4,5,6-pentakisphosphate", "Inositol 1,2,4,5,6-pentakisphosphate", "myo-Inositol 1,2,4,5,6-pentakisphosphate" ] }, { "compound_id": "C04564", "inchi": null, "name": "[Isocitrate dehydrogenase (NADP+)] phosphate", "names": [ "[Isocitrate dehydrogenase (NADP+)] phosphate" ] }, { "compound_id": "C04565", "inchi": null, "name": "Low-density lipoprotein O-phospho-L-serine", "names": [ "Low-density lipoprotein O-phospho-L-serine" ] }, { "compound_id": "C04566", "inchi": null, "name": "Membrane-derived-oligosaccharide D-glucose", "names": [ "Membrane-derived-oligosaccharide D-glucose" ] }, { "compound_id": "C04570", "inchi": null, "name": "Reduced electron-transferring flavoprotein", "names": [ "Reduced electron-transferring flavoprotein" ] }, { "compound_id": "C04572", "inchi": "InChI=1S/C12H20N4O8S/c1-16(24)12(23)25-5-7(10(20)14-4-9(18)19)15-8(17)3-2-6(13)11(21)22/h6-7,24H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t6-,7-/m0/s1", "name": "S-(N-Hydroxy-N-methylcarbamoyl)glutathione", "names": [ "S-(N-Hydroxy-N-methylcarbamoyl)glutathione" ] }, { "compound_id": "C04573", "inchi": "InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1", "name": "UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate", "names": [ "UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate", "UDP-N-acetyl-D-glucosaminuronate" ] }, { "compound_id": "C04574", "inchi": "InChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/b46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-", "name": "di-trans,poly-cis-Undecaprenyl diphosphate", "names": [ "Bactoprenyl diphosphate", "Undecaprenyl diphosphate", "di-trans,poly-cis-Undecaprenyl diphosphate", "ditrans,octacis-Undecaprenyl diphosphate" ] }, { "compound_id": "C04575", "inchi": "InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1", "name": "(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate", "names": [ "(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate", "2,3-Diketo-L-gulonate" ] }, { "compound_id": "C04576", "inchi": "InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1", "name": "1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose", "names": [ "1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose", "Pentagalloyl-beta-D-glucose", "Pentagalloylglucose" ] }, { "compound_id": "C04577", "inchi": "InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+", "name": "15-OxoETE", "names": [ "(5Z,8Z,11Z,13E)-15-Oxoicosa-5,8,11,13-tetraenoic acid", "15-Oxo-5,8,11-cis-13-trans-eicosatetraenoate", "15-Oxo-5,8,11-cis-13-trans-icosatetraenoate", "15-OxoETE" ] }, { "compound_id": "C04578", "inchi": "InChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/t17-,18+,20+,21+,22-/m1/s1", "name": "16-Methoxy-2,3-dihydro-3-hydroxytabersonine", "names": [ "16-Methoxy-2,3-dihydro-3-hydroxytabersonine" ] }, { "compound_id": "C04579", "inchi": "InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6-/m1/s1", "name": "Inositol 1,2,3,5,6-pentakisphosphate", "names": [ "1D-myo-Inositol 1,2,3,5,6-pentakisphosphate", "1L-myo-Inositol 1,2,3,4,5-pentakisphosphate", "Inositol 1,2,3,5,6-pentakisphosphate", "myo-Inositol 1,2,3,5,6-pentakisphosphate" ] }, { "compound_id": "C04580", "inchi": "InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1", "name": "2-Deoxy-2,3-dehydro-N-acetylneuraminic acid", "names": [ "2-Deoxy-2,3-dehydro-N-acetylneuraminic acid" ] }, { "compound_id": "C04581", "inchi": "InChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)13(11)20)15(22)17(24-2)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3", "name": "3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone", "names": [ "3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone" ] }, { "compound_id": "C04582", "inchi": "InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1", "name": "S-Methyl-5-thio-D-ribulose 1-phosphate", "names": [ "S-Methyl-5-thio-D-ribulose 1-phosphate" ] }, { "compound_id": "C04583", "inchi": "InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/t4-,6-,7-,9-,10-/m1/s1", "name": "6-Hydroxyl-1,6-dihydropurine ribonucleoside", "names": [ "(6R)-1,6-dihydro-Inosine", "6-Hydroxyl-1,6-dihydropurine ribonucleoside" ] }, { "compound_id": "C04584", "inchi": "InChI=1S/C7H5NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,8H,(H,10,11)", "name": "6-Imino-5-oxocyclohexa-1,3-dienecarboxylate", "names": [ "6-Imino-5-oxocyclohexa-1,3-dienecarboxylate" ] }, { "compound_id": "C04586", "inchi": "InChI=1S/C9H16O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6-7,10H,4-5H2,1-3H3/t6-,7-/m1/s1", "name": "Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate", "names": [ "Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate" ] }, { "compound_id": "C04587", "inchi": "InChI=1S/C9H16O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1", "name": "Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate", "names": [ "Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate" ] }, { "compound_id": "C04589", "inchi": "InChI=1S/C17H27N3O23P2S2/c1-6(21)18-10-12(24)14(42-47(34,35)36)8(5-38-46(31,32)33)40-16(10)41-45(29,30)43-44(27,28)37-4-7-11(23)13(25)15(39-7)20-3-2-9(22)19-17(20)26/h2-3,7-8,10-16,23-25H,4-5H2,1H3,(H,18,21)(H,27,28)(H,29,30)(H,19,22,26)(H,31,32,33)(H,34,35,36)/t7-,8-,10-,11-,12-,13-,14+,15-,16-/m1/s1", "name": "UDP-N-acetyl-D-galactosamine 4,6-bissulfate", "names": [ "UDP-N-acetyl-D-galactosamine 4,6-bissulfate" ] }, { "compound_id": "C04590", "inchi": "InChI=1S/C23H41O6P/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-28-17-23(24)18-29-30(25,26)27/h9,11,13,15,23-24H,6-8,10,12,14,16-18H2,1-5H3,(H2,25,26,27)/b20-11+,21-13+,22-15+/t23-/m0/s1", "name": "sn-3-O-(Geranylgeranyl)glycerol 1-phosphate", "names": [ "sn-3-O-(Geranylgeranyl)glycerol 1-phosphate" ] }, { "compound_id": "C04592", "inchi": "InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h2-4,6-9H,1H3/t6-,7+/m0/s1", "name": "Toluene-cis-dihydrodiol", "names": [ "(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol", "Toluene-cis-dihydrodiol" ] }, { "compound_id": "C04593", "inchi": "InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1", "name": "(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate", "names": [ "(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate", "Methylisocitrate", "Methylisocitric acid" ] }, { "compound_id": "C04594", "inchi": "InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,14,16H,2-7,9-10,12-13,15H2,1H3,(H,19,20)/b11-8-,17-14+/t16-/m1/s1", "name": "(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid", "names": [ "(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoate", "(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid", "13(S)-EOD" ] }, { "compound_id": "C04596", "inchi": "InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H", "name": "1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene", "names": [ "1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethylene", "1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene", "DDE" ] }, { "compound_id": "C04597", "inchi": "InChI=1S/C19H24O6/c1-22-15-7-5-12(9-17(15)24-3)14(11-20)19(21)13-6-8-16(23-2)18(10-13)25-4/h5-10,14,19-21H,11H2,1-4H3", "name": "1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol", "names": [ "1,2-Bis(3,4-dimethoxyphenyl)-1,3-propanediol", "1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol" ] }, { "compound_id": "C04598", "inchi": null, "name": "2-Acetyl-1-alkyl-sn-glycero-3-phosphocholine", "names": [ "2-Acetyl-1-alkyl-sn-glycero-3-phosphocholine", "PAF", "Platelet-activating factor" ] }, { "compound_id": "C04599", "inchi": "InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3", "name": "1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine", "names": [ "1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine", "MPTP" ] }, { "compound_id": "C04604", "inchi": "InChI=1S/C8H7NO5/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12/h2,10H,1H3,(H,11,12)(H,13,14)", "name": "3-Hydroxy-2-methylpyridine-4,5-dicarboxylate", "names": [ "3-Hydroxy-2-methylpyridine-4,5-dicarboxylate" ] }, { "compound_id": "C04606", "inchi": "InChI=1S/C16H14O4S2/c1-11(17)19-10-13(20-12(2)18)5-6-14-7-8-16(22-14)15-4-3-9-21-15/h3-4,7-9,13H,10H2,1-2H3", "name": "5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene", "names": [ "5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene" ] }, { "compound_id": "C04608", "inchi": "InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1", "name": "Apigenin 7-O-beta-D-glucoside", "names": [ "7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one", "7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone", "Apigenin 7-O-beta-D-glucoside", "Apigenin 7-O-glucoside", "Apigetrin", "Cosmetin", "Cosmosiin" ] }, { "compound_id": "C04611", "inchi": "InChI=1S/C21H27NO11/c23-11-7-31-21(18(30)13(11)25)33-20-16(28)14(26)19(15(27)17(20)29)32-12(24)5-8-6-22-10-4-2-1-3-9(8)10/h1-4,6,11,13-23,25-30H,5,7H2/t11-,13-,14-,15+,16-,17+,18+,19-,20?,21?/m0/s1", "name": "Indol-3-ylacetyl-myo-inositol L-arabinoside", "names": [ "Indol-3-ylacetyl-myo-inositol L-arabinoside" ] }, { "compound_id": "C04613", "inchi": "InChI=1S/C17H25N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,6,8,10,12-16,24-26H,5H2,1-2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t6-,8-,10-,12-,13-,14-,15-,16-/m1/s1", "name": "UDP-2-acetamido-4-dehydro-2,6-dideoxyglucose", "names": [ "UDP-2-acetamido-4-dehydro-2,6-dideoxyglucose" ] }, { "compound_id": "C04614", "inchi": null, "name": "alpha-D-Mannosyl-1,3-(R1)-beta-D-mannosyl-R2", "names": [ "3-(alpha-D-Mannosyl)-beta-D-mannosyl-R", "alpha-D-Mannosyl-1,3-(R1)-beta-D-mannosyl-R2" ] }, { "compound_id": "C04615", "inchi": "InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/b27-15+,28-17+,29-19-/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43?,44-,45?,46-,47-/m1/s1", "name": "alpha-D-Mannosylchitobiosyldiphosphodolichol", "names": [ "alpha-D-Mannosylchitobiosyldiphosphodolichol" ] }, { "compound_id": "C04617", "inchi": "InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m0/s1", "name": "(1S,2S)-1-Hydroxypropane-1,2,3-tricarboxylate", "names": [ "(1S,2S)-1-Hydroxypropane-1,2,3-tricarboxylate", "D-erythro-Isocitric acid" ] }, { "compound_id": "C04618", "inchi": null, "name": "(3R)-3-Hydroxybutanoyl-[acyl-carrier protein]", "names": [ "(3R)-3-Hydroxybutanoyl-[acyl-carrier protein]", "(R)-3-Hydroxybutanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C04619", "inchi": null, "name": "(3R)-3-Hydroxydecanoyl-[acyl-carrier protein]", "names": [ "(3R)-3-Hydroxydecanoyl-[acyl-carrier protein]", "(R)-3-Hydroxydecanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C04620", "inchi": null, "name": "(3R)-3-Hydroxyoctanoyl-[acyl-carrier protein]", "names": [ "(3R)-3-Hydroxyoctanoyl-[acyl-carrier protein]", "(R)-3-Hydroxyoctanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C04621", "inchi": "InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6+", "name": "(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide", "names": [ "(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide" ] }, { "compound_id": "C04622", "inchi": "InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6-", "name": "(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide", "names": [ "(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide" ] }, { "compound_id": "C04623", "inchi": "InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H", "name": "DDT", "names": [ "1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane", "1,1,1-Trichloro-2,2-bis-(4'-chlorophenyl)ethane", "Clofenotane", "DDT", "Dichlorodiphenyltrichloroethane" ] }, { "compound_id": "C04625", "inchi": "InChI=1S/C6H4Cl2O4/c7-3-1-6(8,2-4(9)10)12-5(3)11/h1H,2H2,(H,9,10)", "name": "2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate", "names": [ "2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate", "3,5-Dichloro-2,5-dihydro-2-oxofuran-5-acetate" ] }, { "compound_id": "C04627", "inchi": null, "name": "D-Galactosyl-N-acetyl-alpha-D-galactosaminide", "names": [ "D-Galactosyl-N-acetyl-alpha-D-galactosaminide" ] }, { "compound_id": "C04628", "inchi": "InChI=1/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1/f/h12,14,16-17H", "name": "Coenzyme B", "names": [ "Coenzyme B" ] }, { "compound_id": "C04630", "inchi": "InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8-,10-,11-,12-,13+,14-,15-,16-/m1/s1", "name": "UDP-2-acetamido-4-amino-2,4,6-trideoxyglucose", "names": [ "UDP-2-acetamido-4-amino-2,4,6-trideoxyglucose" ] }, { "compound_id": "C04631", "inchi": "InChI=1S/C20H29N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,9-10,12-17,19,24,27-29H,1,5-6H2,2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1", "name": "UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine", "names": [ "UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine", "UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine", "UDP-N-acetylglucosamine enolpyruvate", "UDP-N-acetylglucosamine-3-O-pyruvateether" ] }, { "compound_id": "C04632", "inchi": null, "name": "[Hydroxymethylglutaryl-CoA reductase (NADPH)]", "names": [ "[Hydroxymethylglutaryl-CoA reductase (NADPH)]" ] }, { "compound_id": "C04633", "inchi": null, "name": "(3R)-3-Hydroxypalmitoyl-[acyl-carrier protein]", "names": [ "(3R)-3-Hydroxyhexadecanoyl-[acyl-carrier protein]", "(3R)-3-Hydroxypalmitoyl-[acyl-carrier protein]", "(R)-3-Hydroxyhexadecanoyl-[acyl-carrier protein]", "(R)-3-Hydroxypalmitoyl-[acyl-carrier protein]" ] }, { "compound_id": "C04634", "inchi": "InChI=1S/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)", "name": "1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate", "names": [ "1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate", "1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate" ] }, { "compound_id": "C04635", "inchi": null, "name": "1-(1-Alkenyl)-sn-glycero-3-phosphoethanolamine", "names": [ "1-(1-Alkenyl)-sn-glycero-3-phosphoethanolamine", "1-Alkenylglycerophosphoethanolamine" ] }, { "compound_id": "C04636", "inchi": null, "name": "1-Acyl-2-linoleoyl-sn-glycero-3-phosphocholine", "names": [ "1-Acyl-2-linoleoyl-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C04637", "inchi": null, "name": "1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate", "names": [ "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-4',5'-bisphosphate)", "1-Phosphatidyl-1D-myo-inositol 4,5-bisphosphate", "1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate", "Phosphatidyl-myo-inositol 4,5-bisphosphate", "Phosphatidylinositol-4,5-bisphosphate" ] }, { "compound_id": "C04638", "inchi": "InChI=1S/C43H73O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h17-18,21-22,25-26,29-30,43H,11-16,19-20,23-24,27-28,31-34H2,1-10H3,(H2,44,45,46)/b37-21+,38-22+,39-25+,40-26+,41-29+,42-30+/t43-/m0/s1", "name": "2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate", "names": [ "2,3-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate", "2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate", "2,3-Digeranylgeranyl sn-glycerol 1-phosphate" ] }, { "compound_id": "C04639", "inchi": "InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "2,4-Dioxotetrahydropyrimidine D-ribonucleotide", "names": [ "2,4-Dioxotetrahydropyrimidine D-ribonucleotide" ] }, { "compound_id": "C04640", "inchi": "InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1", "name": "2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine", "names": [ "1-(5'-Phosphoribosyl)-N-formylglycinamidine", "2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine", "2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine", "5'-Phosphoribosyl-N-formylglycinamidine", "5'-Phosphoribosylformylglycinamidine" ] }, { "compound_id": "C04641", "inchi": "InChI=1S/C9H19O11P/c10-1-4(3-18-21(15,16)17)19-9-8(14)7(13)6(12)5(2-11)20-9/h4-14H,1-3H2,(H2,15,16,17)/t4?,5-,6+,7+,8-,9+/m1/s1", "name": "2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate", "names": [ "2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate" ] }, { "compound_id": "C04642", "inchi": "InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2+", "name": "2-Hydroxy-5-carboxymethylmuconate semialdehyde", "names": [ "2-Hydroxy-5-carboxymethylmuconate semialdehyde", "5-Carboxymethyl-2-hydroxymuconate semialdehyde", "5-Carboxymethyl-2-hydroxymuconic semialdehyde" ] }, { "compound_id": "C04643", "inchi": "InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,20-,22-,23-,24+/m0/s1", "name": "3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate", "names": [ "3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate" ] }, { "compound_id": "C04644", "inchi": "InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26?,27?,28-,29+,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1", "name": "3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA", "names": [ "3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA" ] }, { "compound_id": "C04645", "inchi": null, "name": "6-(D-Glucose-1-phospho)-D-mannosylglycoprotein", "names": [ "6-(D-Glucose-1-phospho)-D-mannosylglycoprotein", "Glycoprotein 6-(D-glucose-1-phospho)-D-mannose" ] }, { "compound_id": "C04646", "inchi": "InChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1", "name": "6-Thioinosine-5'-monophosphate", "names": [ "6-Thioinosine-5'-monophosphate", "9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine" ] }, { "compound_id": "C04648", "inchi": null, "name": "alpha-L-Fucosyl-1,2-beta-D-galactoside", "names": [ "Glycolipid alpha-L-fucosyl-1,2-beta-D-galactose", "Glycoprotein alpha-L-fucosyl-(1,2)-D-galactose", "alpha-L-Fucosyl-(1->2)-D-galactosyl-R", "alpha-L-Fucosyl-1,2-beta-D-galactoside" ] }, { "compound_id": "C04649", "inchi": null, "name": "Heparan sulfate N-acetyl-alpha-D-glucosaminide", "names": [ "Heparan sulfate N-acetyl-alpha-D-glucosaminide" ] }, { "compound_id": "C04650", "inchi": "InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1", "name": "L-2-Amino-4-(hydroxymethylphosphinyl)butanoate", "names": [ "L-2-Amino-4-(hydroxymethylphosphinyl)butanoate" ] }, { "compound_id": "C04652", "inchi": "InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/t29?,30?,31-,32-,36-,37-,38-,39-,40-,41-,42-/m1/s1", "name": "UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine", "names": [ "UDP-2,3-bis(3-hydroxytetradecanoyl)-D-glucosamine", "UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine", "UDP-2,3-bis(beta-hydroxymyristoyl)-D-glucosamine" ] }, { "compound_id": "C04654", "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1", "name": "(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate", "names": [ "(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate", "15-oxo-prostaglandin e1" ] }, { "compound_id": "C04655", "inchi": "InChI=1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t12-,16+/m1/s1", "name": "(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate", "names": [ "(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate" ] }, { "compound_id": "C04656", "inchi": null, "name": "1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R", "names": [ "1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R" ] }, { "compound_id": "C04657", "inchi": null, "name": "1,4-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R", "names": [ "1,4-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R", "1,4-beta-Galactosyl-N-acetyl-D-glucosaminyl-R" ] }, { "compound_id": "C04660", "inchi": "InChI=1S/C21H43N7O17P2/c1-5-6(3-29)14(42-18-10(26-2)17(45-47(37,38)39)11(31)7(4-30)41-18)19(40-5)43-15-8(27-20(22)23)12(32)9(28-21(24)25)16(13(15)33)44-46(34,35)36/h5-19,26,29-33H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,34,35,36)(H2,37,38,39)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14?,15?,16-,17-,18?,19?/m0/s1", "name": "3'-Deoxydihydrostreptomycin 6,3''-bis-phosphate", "names": [ "3'-Deoxydihydrostreptomycin 6,3''-bis-phosphate" ] }, { "compound_id": "C04661", "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19+,20+,22-,23-,24+/m0/s1", "name": "3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate", "names": [ "3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate", "3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid" ] }, { "compound_id": "C04662", "inchi": null, "name": "4-Deoxy-alpha-L-erythro-hex-4-enopyranuronoside", "names": [ "4-Deoxy-alpha-L-erythro-hex-4-enopyranuronoside" ] }, { "compound_id": "C04663", "inchi": "InChI=1/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1/f/h11H2", "name": "Acadesine", "names": [ "Acadesine" ] }, { "compound_id": "C04665", "inchi": "InChI=1S/C60H86N13O15P.CH3.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54;;/h10,14,20,22,27-28,32-35,39,50-51,54-55,74,83H,11-13,15-19,21,23-26H2,1-9H3,(H16,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,82,84,85);1H3;/q;;+2/p-2/t28?,32-,33-,34-,35+,39-,50?,51-,54?,55+,57-,58+,59+,60+;;/m1../s1", "name": "Co-Methyl-Co-5-hydroxybenzimidazolylcobamide", "names": [ "Co-Methyl-Co-5-hydroxybenzimidazolylcobamide" ] }, { "compound_id": "C04666", "inchi": "InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1", "name": "D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate", "names": [ "D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate", "D-erythro-Imidazole-glycerol 3-phosphate", "D-erythro-Imidazole-glycerol phosphate" ] }, { "compound_id": "C04667", "inchi": null, "name": "N-Acetyl-D-glucosaminyl-poly(ribitol phosphate)", "names": [ "N-Acetyl-D-glucosaminyl-poly(ribitol phosphate)" ] }, { "compound_id": "C04670", "inchi": "InChI=1S/C7H10O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-5,8H,1-3H2,(H,10,11)/t4-,5-/m0/s1", "name": "(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate", "names": [ "(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate" ] }, { "compound_id": "C04671", "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1", "name": "(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprostanoate", "names": [ "(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprostanoate" ] }, { "compound_id": "C04672", "inchi": "InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14-/t16-/m0/s1", "name": "(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid", "names": [ "(9Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate", "(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate", "(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid", "12,13(S)-EOT", "12,13(S)-EOTrE" ] }, { "compound_id": "C04673", "inchi": "InChI=1S/C7H13N3O5/c8-7(9)10-1-2(11)4(13)6(15)5(14)3(1)12/h1-4,6,11-13,15H,(H4,8,9,10)/t1-,2-,3+,4+,6-/m0/s1", "name": "1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol", "names": [ "1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol", "Amidino-3-keto-scyllo-inosamine" ] }, { "compound_id": "C04674", "inchi": "InChI=1S/C12H21NO17S2/c14-4-2(1-27-32(24,25)26)28-11(20)3(13-31(21,22)23)8(4)29-12-7(17)5(15)6(16)9(30-12)10(18)19/h2-9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,5+,6+,7-,8-,9+,11-,12-/m1/s1", "name": "3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine", "names": [ "3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine" ] }, { "compound_id": "C04675", "inchi": "InChI=1S/C32H52N7O20P3S/c1-18(2)6-5-8-32(47,12-21(41)42)13-22(43)63-11-10-34-20(40)7-9-35-29(46)26(45)31(3,4)15-56-62(53,54)59-61(51,52)55-14-19-25(58-60(48,49)50)24(44)30(57-19)39-17-38-23-27(33)36-16-37-28(23)39/h6,16-17,19,24-26,30,44-45,47H,5,7-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t19-,24-,25-,26?,30-,32?/m1/s1", "name": "3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA", "names": [ "3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA" ] }, { "compound_id": "C04676", "inchi": "InChI=1S/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1", "name": "Testololactone", "names": [ "3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone", "Testololactone" ] }, { "compound_id": "C04677", "inchi": "InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1", "name": "1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide", "names": [ "1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide", "5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide", "5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide", "5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide", "5-Amino-1--d-ribosyl-4-imidazolecarboxamide 5'-phosphate", "5-Aminoimidazole-4-carboxamide ribotide", "5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole", "5-amino-1--d-ribosyl-4-imidazolecarboxamide 5'-phosphate", "AICAR" ] }, { "compound_id": "C04678", "inchi": "", "name": "Dolichyl N-acetyl-alpha-D-glucosaminyl phosphate", "names": [ "Dolichyl N-acetyl-alpha-D-glucosaminyl phosphate" ] }, { "compound_id": "C04679", "inchi": null, "name": "Protein N6-[(R)-4-amino-2-hydroxybutyl]-L-lysine", "names": [ "Protein N6-[(R)-4-amino-2-hydroxybutyl]-L-lysine", "[eIF5A-precursor]-hypusine" ] }, { "compound_id": "C04680", "inchi": null, "name": "Retinyl-ester-(cellular-retinol-binding-protein)", "names": [ "Retinyl-ester-(cellular-retinol-binding-protein)" ] }, { "compound_id": "C04681", "inchi": null, "name": "[Acetyl-CoA:carbon-dioxide ligase (ADP-forming)]", "names": [ "Biotin-[acetyl-CoA carboxylase]", "Biotin-[acetyl-CoA:carbon-dioxide ligase (ADP-forming)]", "Holo-[acetyl-CoA carboxylase]", "Holo-[acetyl-CoA:carbon-dioxide ligase (ADP-forming)]", "[Acetyl-CoA:carbon-dioxide ligase (ADP-forming)]" ] }, { "compound_id": "C04682", "inchi": null, "name": "[Methylmalonyl-CoA:pyruvate carboxytransferase]", "names": [ "Biotin-[methylmalonyl-CoA-carboxyltransferase]", "Biotin-[methylmalonyl-CoA:pyruvate carboxytransferase]", "Holo-[methylmalonyl-CoA-carboxyltransferase]", "Holo-[methylmalonyl-CoA:pyruvate carboxytransferase]", "[Methylmalonyl-CoA:pyruvate carboxytransferase]" ] }, { "compound_id": "C04683", "inchi": null, "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-R", "names": [ "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-R" ] }, { "compound_id": "C04684", "inchi": "InChI=1S/C16H16NO6P/c18-15(9-12-5-2-1-3-6-12)17-11-24(21,22)23-14-8-4-7-13(10-14)16(19)20/h1-8,10H,9,11H2,(H,17,18)(H,19,20)(H,21,22)", "name": "m-Carboxyphenyl phenylacetamidomethylphosphonate", "names": [ "m-Carboxyphenyl phenylacetamidomethylphosphonate" ] }, { "compound_id": "C04685", "inchi": "InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18?/m0/s1", "name": "(13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate", "names": [ "(13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate", "PGA1", "Prostaglandin A1" ] }, { "compound_id": "C04686", "inchi": "InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/b14-12+/t17-,18+/m0/s1", "name": "(13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate", "names": [ "(13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate", "Prostaglandin C1" ] }, { "compound_id": "C04687", "inchi": "InChI=1S/C7H12O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-6,8-9H,1-3H2,(H,10,11)/t4-,5-,6+/m0/s1", "name": "(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate", "names": [ "(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate" ] }, { "compound_id": "C04688", "inchi": null, "name": "(3R)-3-Hydroxytetradecanoyl-[acyl-carrier protein]", "names": [ "(3R)-3-Hydroxytetradecanoyl-[acyl-carrier protein]", "(R)-3-Hydroxytetradecanoyl-[acyl-carrier protein]", "(r)-3-hydroxytetradecanoyl-[acyl-carrier-protein]", "HMA", "beta-Hydroxymyristyl-[acyl-carrier protein]" ] }, { "compound_id": "C04690", "inchi": "InChI=1S/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)/b5-2-", "name": "2-(Hydroxymethyl)-3-(acetamidomethylene)succinate", "names": [ "2-(Acetamidomethylene)-3-(hydroxymethyl)succinate", "2-(Hydroxymethyl)-3-(acetamidomethylene)succinate" ] }, { "compound_id": "C04691", "inchi": "InChI=1S/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16)/t3-,5-,6+/m1/s1", "name": "2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate", "names": [ "2-Dahp", "2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate", "3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate", "3-Deoxy-D-arabino-heptulosonic acid 7-phosphate", "3-Deoxy-arabino-heptulonate 7-phosphate", "DAHP" ] }, { "compound_id": "C04692", "inchi": "InChI=1S/C11H18N4O4/c1-13-8(11(18)19)2-3-9-14-5-6(15-9)4-7(12)10(16)17/h5,7-8,13H,2-4,12H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p+1/t7-,8?/m0/s1", "name": "2-[3-carboxy-3-(methylammonio)propyl]-L-histidine", "names": [ "2-[3-carboxy-3-(methylammonio)propyl]-L-histidine" ] }, { "compound_id": "C04695", "inchi": "InChI=1S/C22H29NO12/c24-7-11-13(26)14(27)19(32)22(33-11)35-21-17(30)15(28)20(16(29)18(21)31)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2/t11-,13+,14+,15-,16+,17-,18+,19-,20-,21?,22?/m1/s1", "name": "5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside", "names": [ "5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside" ] }, { "compound_id": "C04696", "inchi": null, "name": "7-Methylguanosine 5'-triphospho-5'-polynucleotide", "names": [ "7-Methylguanosine 5'-triphospho-5'-polynucleotide" ] }, { "compound_id": "C04698", "inchi": "InChI=1S/C13H24O10/c1-4-6(15)8(17)10(19)12(21-4)23-11-9(18)7(16)5(3-14)22-13(11)20-2/h4-19H,3H2,1-2H3/t4-,5+,6+,7-,8+,9-,10-,11?,12?,13+/m0/s1", "name": "Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside", "names": [ "Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside" ] }, { "compound_id": "C04700", "inchi": "InChI=1S/C34H55N7O24P2/c1-14(28(50)38-17(7-8-22(45)46)30(52)39-18(32(53)54)6-4-5-10-35)36-29(51)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)48)64-67(58,59)65-66(56,57)60-13-20-24(47)26(49)31(62-20)41-11-9-21(44)40-34(41)55/h9,11,14-15,17-20,23-27,31,33,42,47-49H,4-8,10,12-13,35H2,1-3H3,(H,36,51)(H,37,43)(H,38,50)(H,39,52)(H,45,46)(H,53,54)(H,56,57)(H,58,59)(H,40,44,55)/t14-,15+,17+,18-,19+,20+,23+,24+,25+,26+,27+,31+,33+/m0/s1", "name": "UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine", "names": [ "UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine" ] }, { "compound_id": "C04702", "inchi": "InChI=1S/C40H65N9O26P2/c1-16(32(57)44-18(3)37(61)62)43-35(60)21(8-6-7-12-41)46-25(52)10-9-22(38(63)64)47-33(58)17(2)42-34(59)19(4)71-31-27(45-20(5)51)39(73-23(14-50)29(31)55)74-77(68,69)75-76(66,67)70-15-24-28(54)30(56)36(72-24)49-13-11-26(53)48-40(49)65/h11,13,16-19,21-24,27-31,36,39,50,54-56H,6-10,12,14-15,41H2,1-5H3,(H,42,59)(H,43,60)(H,44,57)(H,45,51)(H,46,52)(H,47,58)(H,61,62)(H,63,64)(H,66,67)(H,68,69)(H,48,53,65)/t16-,17+,18-,19-,21+,22-,23-,24-,27-,28-,29-,30-,31-,36-,39-/m1/s1", "name": "UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)", "names": [ "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine", "UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine", "UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)" ] }, { "compound_id": "C04703", "inchi": "InChI=1S/C9H19O11P/c10-1-5-6(12)7(13)8(14)9(20-5)18-2-4(11)3-19-21(15,16)17/h4-14H,1-3H2,(H2,15,16,17)/t4-,5-,6+,7+,8-,9+/m1/s1", "name": "alpha-D-Galactosyl-(1,1')-sn-glycerol 3-phosphate", "names": [ "1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate", "alpha-D-Galactosyl-(1,1')-sn-glycerol 3-phosphate" ] }, { "compound_id": "C04706", "inchi": "InChI=1S/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)/b3-2+", "name": "cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide", "names": [ "cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide", "cis-2-Chlorodienelactone" ] }, { "compound_id": "C04707", "inchi": "InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1", "name": "(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate", "names": [ "(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprosta-13-enoate", "(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate", "15-oxo-prostaglandin e2" ] }, { "compound_id": "C04708", "inchi": null, "name": "1-(beta-D-Galactosyl)-2-(2-hydroxyacyl)sphingosine", "names": [ "1-(beta-D-Galactosyl)-2-(2-hydroxyacyl)sphingosine" ] }, { "compound_id": "C04709", "inchi": "InChI=1S/C21H43N7O17P2/c1-5-6(4-40-46(34,35)36)15(43-18-10(26-2)13(32)11(30)7(3-29)42-18)19(41-5)44-16-8(27-20(22)23)12(31)9(28-21(24)25)17(14(16)33)45-47(37,38)39/h5-19,26,29-33H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,34,35,36)(H2,37,38,39)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15?,16?,17-,18?,19?/m0/s1", "name": "3'-Deoxydihydrostreptomycin 3'alpha,6-bisphosphate", "names": [ "3'-Deoxydihydrostreptomycin 3'alpha,6-bisphosphate" ] }, { "compound_id": "C04711", "inchi": "InChI=1S/C14H12O3S2/c1-10(15)17-9-11(16)4-5-12-6-7-14(19-12)13-3-2-8-18-13/h2-3,6-8,11,16H,9H2,1H3", "name": "5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene", "names": [ "5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene" ] }, { "compound_id": "C04712", "inchi": "InChI=1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)/t11-,14-/m1/s1", "name": "(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate", "names": [ "(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate" ] }, { "compound_id": "C04713", "inchi": "InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1", "name": "N6-(delta2-Isopentenyl)-adenosine 5'-monophosphate", "names": [ "Isopentenyl-AMP", "N6-(Dimethylallyl)adenosine 5'-phosphate", "N6-(delta2-Isopentenyl)-adenosine 5'-monophosphate" ] }, { "compound_id": "C04714", "inchi": null, "name": "alpha-D-Galactosyl-beta-D-galactosyldiacylglycerol", "names": [ "1,3-Diacyl-2-O-(alpha-D-galactosyl(1->4)-O-beta-D-galactosyl)-sn-glycerol", "alpha-D-Galactosyl-beta-D-galactosyldiacylglycerol" ] }, { "compound_id": "C04715", "inchi": "InChI=1S/C27H42O4/c1-16-23-22(30-27(16)12-11-24(2,15-28)31-27)14-21-19-6-5-17-13-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1", "name": "Nuatigenin", "names": [ "(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol", "Nuatigenin" ] }, { "compound_id": "C04717", "inchi": "InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1", "name": "(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid", "names": [ "(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoate", "(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid", "13(S)-HPODE", "13S-Hydroperoxy-9Z,11E-octadecadienoic acid" ] }, { "compound_id": "C04718", "inchi": "InChI=1S/C10H16O3/c1-9(2)7-4-5-10(3,13-9)12-8(11)6-7/h7H,4-6H2,1-3H3", "name": "1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one", "names": [ "1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one" ] }, { "compound_id": "C04719", "inchi": "InChI=1S/C20H18O9/c21-7-12-17(25)18(26)19(27)20(29-12)28-11-6-5-10-13(16(11)24)15(23)9-4-2-1-3-8(9)14(10)22/h1-6,12,17-21,24-27H,7H2/t12-,17-,18+,19-,20-/m1/s1", "name": "1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone", "names": [ "1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone" ] }, { "compound_id": "C04720", "inchi": "InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3", "name": "DIMBOA", "names": [ "2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one", "2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one", "DIMBOA" ] }, { "compound_id": "C04721", "inchi": "InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17+,18-,19+,20-,21-,22-,25-,26+/m0/s1", "name": "3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine", "names": [ "3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine" ] }, { "compound_id": "C04722", "inchi": "InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19?,20?,21?,22-,23+,24?,26+,27-/m1/s1", "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate", "names": [ "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oate", "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanate", "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate" ] }, { "compound_id": "C04724", "inchi": "InChI=1S/C73H122O21P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-87-95(83,84)94-96(85,86)93-73-68(82)70(63(77)61(47-75)90-73)92-71-67(81)65(79)69(59(13)88-71)91-72-66(80)64(78)62(76)60(46-74)89-72/h24,26,28,30,32,34,36,38,40,42,44,59-82H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,83,84)(H,85,86)/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t59-,60+,61+,62+,63-,64-,65-,66-,67+,68+,69?,70-,71-,72?,73+/m0/s1", "name": "D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid", "names": [ "D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid", "alpha-D-Mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-alpha-D-galactosyl-diphosphoundecaprenol" ] }, { "compound_id": "C04725", "inchi": null, "name": "Oligosaccharide containing 6-methyl-D-glucose units", "names": [ "1,4-alpha-D-Glucooligosaccharide containing 6-O-methyl-D-glucose units", "Oligosaccharide containing 6-methyl-D-glucose units" ] }, { "compound_id": "C04726", "inchi": null, "name": "[3-Methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring)]", "names": [ "[3-Methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring)]", "[3-Methyl-2-oxobutanoate dehydrogenase (lipoamide)]" ] }, { "compound_id": "C04727", "inchi": null, "name": "[Propionyl-CoA:carbon-dioxide ligase (ADP-forming)]", "names": [ "Biotin-[propionyl-CoA-carboxylase (ATP-hydrolysing)]", "Biotin-[propionyl-CoA:carbon-dioxide ligase (ADP-forming)]", "Holo-[propionyl-CoA-carboxylase (ATP-hydrolysing)]", "Holo-[propionyl-CoA:carbon-dioxide ligase (ADP-forming)]", "[Propanoyl-CoA:carbon-dioxide ligase (ADP-forming)]", "[Propionyl-CoA:carbon-dioxide ligase (ADP-forming)]" ] }, { "compound_id": "C04728", "inchi": null, "name": "tRNA containing 5-methylaminomethyl-2-thiouridylate", "names": [ "tRNA containing 5-methylaminomethyl-2-thiouridylate", "tRNA containing mnm5s2U" ] }, { "compound_id": "C04729", "inchi": "InChI=1S/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)/b3-2-", "name": "trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide", "names": [ "trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide", "trans-2-Chlorodienelactone" ] }, { "compound_id": "C04730", "inchi": null, "name": "GM3", "names": [ "(N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide", "GM3", "N-Acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide", "Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer", "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" ] }, { "compound_id": "C04731", "inchi": "InChI=1S/C12H15NO/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3", "name": "1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide", "names": [ "1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide" ] }, { "compound_id": "C04732", "inchi": "InChI=1S/C9H16N4O6/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19)/t3-,4+,6-/m0/s1", "name": "5-Amino-6-(1-D-ribitylamino)uracil", "names": [ "4-(1-D-Ribitylamino)-5-amino-2,6-dihydroxypyrimidine", "5-Amino-6-(1-D-ribitylamino)uracil", "5-amino-6-(D-ribitylamino)uracil", "6-(1-D-Ribitylamino)-5-amino-2,4-dihydroxypyrimidine", "6-(1-D-Ribitylamino)-5-aminouracil" ] }, { "compound_id": "C04733", "inchi": "InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4+,5+,6+,7+,8-,11+,12-/m0/s1", "name": "4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate", "names": [ "4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate" ] }, { "compound_id": "C04734", "inchi": "InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1", "name": "1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide", "names": [ "1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide", "5'-Phosphoribosyl-5-formamido-4-imidazolecarboxamide", "5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide", "5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide", "FAICAR" ] }, { "compound_id": "C04735", "inchi": null, "name": "Apo-[acetyl-CoA:carbon-dioxide ligase (ADP-forming)]", "names": [ "Apo-[acetyl-CoA carboxylase]", "Apo-[acetyl-CoA:carbon-dioxide ligase (ADP-forming)]" ] }, { "compound_id": "C04736", "inchi": null, "name": "Apo-[methylmalonyl-CoA:pyruvate carboxytransferase]", "names": [ "Apo-[methylmalonyl-CoA-carboxyltransferase]", "Apo-[methylmalonyl-CoA:pyruvate carboxytransferase]" ] }, { "compound_id": "C04737", "inchi": null, "name": "Trihexosylceramide", "names": [ "D-Galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide", "Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer", "Gal-alpha1->4LacCer", "Globotriosylceramide", "Trihexosylceramide" ] }, { "compound_id": "C04738", "inchi": "InChI=1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/t19?,20-,21-,24-,25-,26-,27-,28-,29-,30-/m1/s1", "name": "UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine", "names": [ "UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine", "UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine", "udp-3-o-(3-hydroxytetradecanoyl)-n-acetyl-d-glucosamine" ] }, { "compound_id": "C04739", "inchi": "InChI=1S/C23H38N3O25P3/c1-7(28)24-12-16(33)14(31)10(6-44-52(38,39)50-22-19(36)17(34)13(30)8(4-27)47-22)48-21(12)49-54(42,43)51-53(40,41)45-5-9-15(32)18(35)20(46-9)26-3-2-11(29)25-23(26)37/h2-3,8-10,12-22,27,30-36H,4-6H2,1H3,(H,24,28)(H,38,39)(H,40,41)(H,42,43)(H,25,29,37)/t8-,9-,10-,12-,13+,14-,15-,16-,17+,18-,19-,20-,21-,22-/m1/s1", "name": "UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine", "names": [ "UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine" ] }, { "compound_id": "C04740", "inchi": null, "name": "alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D-glucosylceramide", "names": [ "Neu5Ac-alpha2->6Gal-beta1->4Glc-beta1->1'Cer", "alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D-glucosylceramide" ] }, { "compound_id": "C04741", "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1", "name": "Alprostadil", "names": [ "(13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate", "Alprostadil", "PGE1", "Prostaglandin E1" ] }, { "compound_id": "C04742", "inchi": "InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1", "name": "(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate", "names": [ "(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate", "(15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoate", "(5Z,8Z,11Z,13E)-(15S)-15-Hydroxyicosa-5,8,11,13-tetraenoic acid", "15(S)-HETE" ] }, { "compound_id": "C04744", "inchi": "InChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13)", "name": "2,6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine", "names": [ "2,6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine" ] }, { "compound_id": "C04746", "inchi": "InChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h9,17-18,20-25,29H,6-8,10-16H2,1-5H3,(H,30,31)/t18-,20-,21+,22+,23+,24+,25+,27-,28-/m1/s1", "name": "3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate", "names": [ "3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate" ] }, { "compound_id": "C04747", "inchi": null, "name": "[Citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)]", "names": [ "[Citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)]" ] }, { "compound_id": "C04748", "inchi": null, "name": "Protein C-terminal S-farnesyl-L-cysteine methyl ester", "names": [ "Protein C-terminal S-farnesyl-L-cysteine methyl ester" ] }, { "compound_id": "C04749", "inchi": null, "name": "[[Hydroxymethylglutaryl-CoA reductase (NADPH)]kinase]", "names": [ "[[Hydroxymethylglutaryl-CoA reductase (NADPH)]kinase]" ] }, { "compound_id": "C04750", "inchi": null, "name": "beta-D-Galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R", "names": [ "Glycoprotein D-galactosyl-1,3-N-acetyl-D-galactosamine", "beta-D-Galactosyl-1,3-N-acetyl-D-galactosaminyl-R", "beta-D-Galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R" ] }, { "compound_id": "C04751", "inchi": "InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1", "name": "1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate", "names": [ "1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole", "1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole", "1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate", "1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate", "5'-Phosphoribosyl-4-carboxy-5-aminoimidazole", "5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate", "5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate" ] }, { "compound_id": "C04752", "inchi": "InChI=1S/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)", "name": "2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate", "names": [ "2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate", "4-Amino-2-methyl-5-diphosphomethylpyrimidine" ] }, { "compound_id": "C04755", "inchi": null, "name": "Glycoprotein N-acetyl-D-glucosaminyl-phospho-D-mannose", "names": [ "Glycoprotein N-acetyl-D-glucosaminyl-phospho-D-mannose" ] }, { "compound_id": "C04756", "inchi": null, "name": "O-1-Alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine", "names": [ "1-Alkenyl-2-acylglycerophosphoethanolamine", "2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphoethanolamine", "Ethanolamineplasmalogen", "O-1-Alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine", "Phosphatidalethanolamine", "Plasmenylethanolamine" ] }, { "compound_id": "C04758", "inchi": "InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-18,22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+/m1/s1", "name": "(5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate", "names": [ "(5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate", "15-Dehydro-prostaglandin D2" ] }, { "compound_id": "C04759", "inchi": null, "name": "1,2-D-Glucosyl-5-D-(galactosyloxy)-L-lysine-procollagen", "names": [ "1,2-D-Glucosyl-5-D-(galactosyloxy)-L-lysine-procollagen", "Procollagen alpha-D-glucosyl-1,2-beta-D-galactosyl-L-hydroxylysine" ] }, { "compound_id": "C04760", "inchi": "InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26?,27+,28-,29?,30?,31?,32-,33-,34+,36?,38-,39-,40?,44-,47+,48-/m1/s1", "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA", "names": [ "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA" ] }, { "compound_id": "C04763", "inchi": null, "name": "Apo-[propionyl-CoA:carbon-dioxide ligase (ADP-forming)]", "names": [ "Apo-[propionyl-CoA-carboxylase (ATP-hydrolysing)]", "Apo-[propionyl-CoA:carbon-dioxide ligase (ADP-forming)]" ] }, { "compound_id": "C04767", "inchi": "InChI=1S/C14H29N6O11P/c1-3-14(25,2-21)10(24)11(29-3)30-8-4(19-12(15)16)6(22)5(20-13(17)18)9(7(8)23)31-32(26,27)28/h3-11,21-25H,2H2,1H3,(H4,15,16,19)(H4,17,18,20)(H2,26,27,28)/t3-,4-,5+,6-,7-,8?,9-,10-,11?,14+/m0/s1", "name": "O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate", "names": [ "O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate" ] }, { "compound_id": "C04768", "inchi": null, "name": "[Hydroxymethylglutaryl-CoA reductase (NADPH)] phosphate", "names": [ "[Hydroxymethylglutaryl-CoA reductase (NADPH)] phosphate" ] }, { "compound_id": "C04771", "inchi": "InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1", "name": "(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate", "names": [ "(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate", "L-Mimosine" ] }, { "compound_id": "C04772", "inchi": null, "name": "1,6-alpha-D-Mannosyl-1,6-alpha-D-mannosyloligosaccharide", "names": [ "1,6-alpha-D-Mannosyl-1,6-alpha-D-mannosyloligosaccharide" ] }, { "compound_id": "C04773", "inchi": "InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)", "name": "3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate", "names": [ "3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate", "5-Pyridoxate", "5-Pyridoxic acid" ] }, { "compound_id": "C04775", "inchi": null, "name": "D-Galactosyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosyl-R", "names": [ "D-Galactosyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosyl-R" ] }, { "compound_id": "C04776", "inchi": null, "name": "Peptide beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-L-serine", "names": [ "Peptide beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-L-serine", "T antigen" ] }, { "compound_id": "C04778", "inchi": "InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1", "name": "N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole", "names": [ "N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole", "alpha-Ribazole 5'-phosphate" ] }, { "compound_id": "C04779", "inchi": null, "name": "rRNA containing a single residue of 2'-O-methyladenosine", "names": [ "rRNA containing a single residue of 2'-O-methyladenosine" ] }, { "compound_id": "C04780", "inchi": "InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,15-16H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1", "name": "8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate", "names": [ "8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate", "OPC-8:0" ] }, { "compound_id": "C04783", "inchi": "InChI=1S/C8H8O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,5-6,9-10H,(H,11,12)(H,13,14)/t5-,6+", "name": "cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate", "names": [ "Phthalate-4,5-cis-dihydrodiol", "cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate" ] }, { "compound_id": "C04785", "inchi": "InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7-,11-3-,15-12+/t17-/m0/s1", "name": "13(S)-HPOT", "names": [ "(9Z,11E,15Z)-(13S)-13-Hydroperoxyoctadeca-9,11,15-trienoic acid", "(9Z,11E,15Z)-(13S)-Hydroperoxyoctadeca-9,11,15-trienoate", "13(S)-HPOT", "13(S)-HpOTrE", "13-HPOT" ] }, { "compound_id": "C04787", "inchi": "InChI=1S/C33H40O20.ClH/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32;/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37);1H/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+;/m0./s1", "name": "Cyanidin 3-rutinoside-5-glucoside", "names": [ "Cyanidin 3-rutinoside-5-glucoside" ] }, { "compound_id": "C04789", "inchi": null, "name": "Lysosomal-enzyme N-acetyl-D-glucosaminyl-phospho-D-mannose", "names": [ "Lysosomal-enzyme N-acetyl-D-glucosaminyl-phospho-D-mannose" ] }, { "compound_id": "C04790", "inchi": null, "name": "N-Acetyl-beta-D-mannosaminouronosyl-1,4-lipopolysaccharide", "names": [ "N-Acetyl-beta-D-mannosaminouronosyl-1,4-lipopolysaccharide" ] }, { "compound_id": "C04791", "inchi": null, "name": "beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein", "names": [ "beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein" ] }, { "compound_id": "C04792", "inchi": null, "name": "1-Acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine", "names": [ "1-Acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C04793", "inchi": "InChI=1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1", "name": "3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione", "names": [ "3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione" ] }, { "compound_id": "C04794", "inchi": "InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10+,11+,13+,14-/m0/s1", "name": "3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine", "names": [ "3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose", "3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine" ] }, { "compound_id": "C04796", "inchi": "InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-4+/t6-/m0/s1", "name": "4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde", "names": [ "4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde" ] }, { "compound_id": "C04797", "inchi": "InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(4-11)1-2-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-2+/t6-/m0/s1", "name": "5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde", "names": [ "5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde" ] }, { "compound_id": "C04798", "inchi": "InChI=1S/C10H8ClN3O3/c11-8-5(12)4-13-14(10(8)17)6-2-1-3-7(15)9(6)16/h1-4,15-16H,12H2", "name": "5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone", "names": [ "5-Amino-4-chloro-2-(2',3'-dihydroxyphenyl)-3(2H)-pyridazinone", "5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone", "Chloridazon catechol" ] }, { "compound_id": "C04799", "inchi": null, "name": "Colominic acid(non-reducing N- or O-acylneuraminyl residue)", "names": [ "Colominate", "Colominic acid(non-reducing N- or O-acylneuraminyl residue)" ] }, { "compound_id": "C04800", "inchi": null, "name": "D-Glucuronyl-N-acetyl-1,3-beta-D-galactosaminylproteoglycan", "names": [ "D-Glucuronyl-N-acetyl-1,3-beta-D-galactosaminylproteoglycan" ] }, { "compound_id": "C04801", "inchi": null, "name": "[3-Methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]", "names": [ "Biotin-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]", "Biotin-[methylcrotonoyl-CoA-carboxylase]", "Holo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]", "Holo-[methylcrotonoyl-CoA-carboxylase]", "[3-Methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]" ] }, { "compound_id": "C04802", "inchi": null, "name": "m7G(5')pppRm-RNA (mRNA containing a 2'-O-methylpurine cap)", "names": [ "m7G(5')pppRm-RNA (mRNA containing a 2'-O-methylpurine cap)" ] }, { "compound_id": "C04804", "inchi": "InChI=1S/C38H60N8O27P2/c1-14(30(54)44-20(36(61)62)8-9-23(49)43-19(7-5-6-18(39)35(59)60)32(56)41-15(2)34(57)58)40-31(55)16(3)69-29-25(42-17(4)48)37(71-21(12-47)27(29)52)72-75(66,67)73-74(64,65)68-13-22-26(51)28(53)33(70-22)46-11-10-24(50)45-38(46)63/h10-11,14-16,18-22,25-29,33,37,47,51-53H,5-9,12-13,39H2,1-4H3,(H,40,55)(H,41,56)(H,42,48)(H,43,49)(H,44,54)(H,57,58)(H,59,60)(H,61,62)(H,64,65)(H,66,67)(H,45,50,63)/t14-,15+,16+,18+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,37+/m0/s1", "name": "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanine", "names": [ "UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala", "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine", "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanine" ] }, { "compound_id": "C04805", "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1", "name": "5(S)-HETE", "names": [ "(6E,8Z,11Z,14Z)-(5S)-5-Hydroxyicosa-6,8,11,14-tetraenoic acid", "5(S)-HETE", "5-HETE", "5-Hydroxyeicosatetraenoate" ] }, { "compound_id": "C04806", "inchi": "InChI=1S/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34,36-40H,3,5,7-10,12H2,1-2H3,(H,33,35)(H,41,42)/t17?,18?,19?,20-,21?,22-,23-,24-,25+,26+,27-,28+,30?,31-,32?/m1/s1", "name": "17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside", "names": [ "17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside" ] }, { "compound_id": "C04807", "inchi": "InChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)", "name": "2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine", "names": [ "2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate", "2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine", "7,8-Dihydropterin pyrophosphate" ] }, { "compound_id": "C04808", "inchi": "InChI=1S/C79H132O24P2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-94-104(90,91)103-105(92,93)102-79-72(89)75(68(85)66(49-81)98-79)101-77-70(87)69(86)73(62(14)96-77)99-78-71(88)74(67(84)65(48-80)97-78)100-76-64(83)47-63(82)61(13)95-76/h25,27,29,31,33,35,37,39,41,43,45,61-89H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,90,91)(H,92,93)/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t61-,62+,63-,64-,65-,66-,67-,68+,69+,70-,71+,72-,73?,74?,75+,76?,77+,78?,79-/m1/s1", "name": "D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid", "names": [ "D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid" ] }, { "compound_id": "C04809", "inchi": null, "name": "Membrane-derived-oligosaccharide 6-(glycerophospho)-D-glucose", "names": [ "Membrane-derived-oligosaccharide 6-(glycerophospho)-D-glucose" ] }, { "compound_id": "C04810", "inchi": null, "name": "Oligosaccharide with 4-deoxy-alpha-D-gluc-4-enuronosyl group", "names": [ "Oligosaccharide with 4-deoxy-alpha-D-galact-4-enuronosyl group", "Oligosaccharide with 4-deoxy-alpha-D-gluc-4-enuronosyl group" ] }, { "compound_id": "C04811", "inchi": "InChI=1S/C12H20N5O9P/c13-6(18)1-2-7(19)16-11-10(14)17(4-15-11)12-9(21)8(20)5(26-12)3-25-27(22,23)24/h4-5,8-9,12,20-21H,1-3,14H2,(H2,13,18)(H,16,19)(H2,22,23,24)/t5-,8-,9-,12-/m1/s1", "name": "1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole", "names": [ "1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole" ] }, { "compound_id": "C04812", "inchi": "InChI=1S/C7H17N4O7P/c8-1-3(12)2(11-7(9)10)4(13)5(14)6(1)18-19(15,16)17/h1-6,12-14H,8H2,(H4,9,10,11)(H2,15,16,17)/t1-,2+,3-,4-,5+,6+/m0/s1", "name": "1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 4-phosphate", "names": [ "1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 4-phosphate" ] }, { "compound_id": "C04814", "inchi": "InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,19-20,22-26,30-31H,7-9,11-18H2,1-6H3/t20-,22-,23+,24?,25-,26+,27-,28-,29-/m1/s1", "name": "4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol", "names": [ "4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol" ] }, { "compound_id": "C04815", "inchi": "InChI=1S/C7H10O4/c8-3-4-1-2-5(9)7(11)6(4)10/h2,4,6,8-10H,1,3H2/t4-,6-/m1/s1", "name": "5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one", "names": [ "5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one", "5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-one" ] }, { "compound_id": "C04816", "inchi": null, "name": "Dephospho-[[hydroxymethylglutaryl-CoA reductase (NADPH)]kinase]", "names": [ "Dephospho-[[hydroxymethylglutaryl-CoA reductase (NADPH)]kinase]" ] }, { "compound_id": "C04817", "inchi": null, "name": "Protein alpha-D-glucosyl-1,2-beta-D-galactosyl-L-hydroxylysine", "names": [ "Protein alpha-D-glucosyl-1,2-beta-D-galactosyl-L-hydroxylysine" ] }, { "compound_id": "C04818", "inchi": null, "name": "beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminylglycopeptide", "names": [ "beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminylglycopeptide" ] }, { "compound_id": "C04819", "inchi": "InChI=1S/C42H74N8O22/c1-6-45-27-34(67-18(4)37(62)46-16(2)36(61)50-20(35(44)60)10-11-25(55)49-21(9-7-8-12-43)38(63)47-17(3)39(64)65)33(24(15-53)68-40(27)66)72-41-26(48-19(5)54)29(57)32(23(14-52)70-41)71-42-31(59)30(58)28(56)22(13-51)69-42/h16-18,20-24,26-34,40-42,45,51-53,56-59,66H,6-15,43H2,1-5H3,(H2,44,60)(H,46,62)(H,47,63)(H,48,54)(H,49,55)(H,50,61)(H,64,65)/t16-,17+,18-,20+,21-,22+,23+,24+,26+,27+,28-,29+,30-,31+,32?,33?,34+,40?,41?,42?/m0/s1", "name": "beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide", "names": [ "beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide" ] }, { "compound_id": "C04822", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1", "name": "8(R)-HPETE", "names": [ "(5Z,9E,11Z,14Z)-(8R)-8-Hydroperoxyeicosa-5,9,11,14-tetraenoate", "(5Z,9E,11Z,14Z)-(8R)-8-Hydroperoxyicosa-5,9,11,14-tetraenoate", "8(R)-HPETE" ] }, { "compound_id": "C04823", "inchi": "InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1", "name": "1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole", "names": [ "(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate", "1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole", "1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole", "5'-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole", "SAICAR" ] }, { "compound_id": "C04824", "inchi": "InChI=1S/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26?,27?,28-,31-,32-,33-,34-/m1/s1", "name": "2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate", "names": [ "2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate", "2,3-Bis(beta-hydoroxymyristoyl)-beta-D-glucosaminyl 1-phosphate", "Lipid X" ] }, { "compound_id": "C04825", "inchi": null, "name": "3-beta-D-Galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein", "names": [ "3-beta-D-Galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein" ] }, { "compound_id": "C04827", "inchi": null, "name": "Apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]", "names": [ "Apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]", "Apo-[methylcrotonoyl-CoA-carboxylase]" ] }, { "compound_id": "C04829", "inchi": null, "name": "Deacetyl-[citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)]", "names": [ "Deacetyl-[citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)]" ] }, { "compound_id": "C04830", "inchi": "InChI=1S/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)64(75)67(61(47-72)84-68)85-69-66(77)65(76)63(74)60(46-71)83-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63-,64-,65+,66-,67?,68-,69?/m1/s1", "name": "beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol", "names": [ "beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol" ] }, { "compound_id": "C04831", "inchi": "InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15+/m1/s1", "name": "DIMBOA-glucoside", "names": [ "2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucoside", "2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucoside", "DIMBOA-glucoside" ] }, { "compound_id": "C04832", "inchi": "InChI=1S/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/t10-,12+/m1/s1", "name": "Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide", "names": [ "CoM-S-S-CoB", "Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide", "Coenzyme M-HTP heterodisulfide", "N-{7-[(2-Sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine" ] }, { "compound_id": "C04833", "inchi": null, "name": "m7G(5')pppm6Am (mRNA containing an N6,2'-O-dimethyladenosine cap)", "names": [ "m7G(5')pppm6Am (mRNA containing an N6,2'-O-dimethyladenosine cap)" ] }, { "compound_id": "C04834", "inchi": "InChI=1S/C16H26O3/c1-5-16(4)14(19-16)10-9-12(2)7-6-8-13(3)11-15(17)18/h7,11,14H,5-6,8-10H2,1-4H3,(H,17,18)/b12-7+,13-11+/t14-,16+/m1/s1", "name": "Juvenile hormone II acid", "names": [ "(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoate", "(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid", "(2E,6E)-10,11-Epoxy-3,7,11-trimethyltridecadienoic acid", "Juvenile hormone II acid" ] }, { "compound_id": "C04835", "inchi": "InChI=1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,16-19,22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8?/t16-,17-,18-,19+/m1/s1", "name": "(5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate", "names": [ "(5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate" ] }, { "compound_id": "C04839", "inchi": "InChI=1S/C12H20O13S/c13-1-3-8(25-26(18,19)20)10(6(15)11(17)22-3)24-12-7(16)9-5(14)4(23-12)2-21-9/h3-17H,1-2H2,(H,18,19,20)/t3-,4-,5+,6-,7-,8+,9+,10?,11+,12?/m1/s1", "name": "3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate", "names": [ "3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate" ] }, { "compound_id": "C04840", "inchi": "InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/t19-,21-,22+,23+,24-,25+,27-,28-,29+/m1/s1", "name": "3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate", "names": [ "3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate" ] }, { "compound_id": "C04843", "inchi": "InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19?/m0/s1", "name": "(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate", "names": [ "(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate", "(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid", "Trioxilin A3" ] }, { "compound_id": "C04844", "inchi": "InChI=1S/C19H24O6/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)/b11-3-,16-6-/t12-,13-,19-/m0/s1", "name": "3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate", "names": [ "3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate" ] }, { "compound_id": "C04845", "inchi": null, "name": "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide", "names": [ "Ceramidetrihexoside", "Ceramidetrisaccharide", "GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", "GlcNAc-beta1->3LacCer", "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactocyl-1,4-beta-glucosyl-1,1'-beta-ceramide", "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide", "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" ] }, { "compound_id": "C04847", "inchi": "InChI=1S/C20H35NO16/c1-5(25)21-9-12(28)16(8(4-24)33-18(9)32)36-20-15(31)17(11(27)7(3-23)35-20)37-19-14(30)13(29)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12-,13+,14-,15-,16?,17?,18-,19?,20?/m1/s1", "name": "alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine", "names": [ "alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine" ] }, { "compound_id": "C04848", "inchi": null, "name": "Variant-surface-glycoprotein 1,2-dimyristyl-sn-phosphatidylinositol", "names": [ "Variant-surface-glycoprotein 1,2-dimyristyl-sn-phosphatidylinositol", "Variant-surface-glycoprotein 1,2-ditetradecanoyl-sn-phosphatidylinositol" ] }, { "compound_id": "C04849", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1", "name": "(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid", "names": [ "(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate", "(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid", "Hepoxilin A3" ] }, { "compound_id": "C04850", "inchi": null, "name": "1,3-beta-D-Galactosyl-(alpha-1,4-L-fucosyl)-N-acetyl-D-glucosaminyl-R", "names": [ "1,3-beta-D-Galactosyl-(alpha-1,4-L-fucosyl)-N-acetyl-D-glucosaminyl-R" ] }, { "compound_id": "C04851", "inchi": "InChI=1S/C86H143N7O21P2/c1-57(2)30-20-31-58(3)32-21-33-59(4)34-22-35-60(5)36-23-37-61(6)38-24-39-62(7)40-25-41-63(8)42-26-43-64(9)44-27-45-65(10)46-28-47-66(11)48-29-49-67(12)53-55-110-115(106,107)114-116(108,109)113-86-77(91-72(17)95)79(78(97)75(56-94)112-86)111-71(16)82(100)88-69(14)81(99)93-74(85(104)105)51-52-76(96)92-73(50-18-19-54-87)83(101)89-68(13)80(98)90-70(15)84(102)103/h30,32,34,36,38,40,42,44,46,48,53,68-71,73-75,77-79,86,94,97H,18-29,31,33,35,37,39,41,43,45,47,49-52,54-56,87H2,1-17H3,(H,88,100)(H,89,101)(H,90,98)(H,91,95)(H,92,96)(H,93,99)(H,102,103)(H,104,105)(H,106,107)(H,108,109)/b58-32+,59-34+,60-36-,61-38-,62-40-,63-42-,64-44-,65-46-,66-48-,67-53-/t68-,69+,70-,71-,73+,74-,75-,77-,78-,79-,86-/m1/s1", "name": "MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol", "names": [ "MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol", "Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine" ] }, { "compound_id": "C04853", "inchi": "InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1", "name": "20-OH-Leukotriene B4", "names": [ "(6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyeicosa-6,8,10,14-tetraenoate", "(6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyicosa-6,8,10,14-tetraenoate", "20-Hydroxy-leukotriene B4", "20-OH-LTB4", "20-OH-Leukotriene B4" ] }, { "compound_id": "C04855", "inchi": null, "name": "alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R", "names": [ "alpha-D-Galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-N-acetylglucosaminyl-R", "alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R" ] }, { "compound_id": "C04856", "inchi": "InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11?,13-,14-,15-,16-,20-,21-/m1/s1", "name": "(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide", "names": [ "(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide", "6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide" ] }, { "compound_id": "C04858", "inchi": "InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22?,23+,24-,25?,26-/m1/s1", "name": "Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]", "names": [ "7-O-(beta-D-Apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone", "7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one", "Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]", "Apiin", "Apioside" ] }, { "compound_id": "C04859", "inchi": "InChI=1S/C33H52O9/c1-17-25-23(41-33(17)12-11-30(2,16-35)42-33)14-22-20-6-5-18-13-19(7-9-31(18,3)21(20)8-10-32(22,25)4)39-29-28(38)27(37)26(36)24(15-34)40-29/h5,17,19-29,34-38H,6-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-/m0/s1", "name": "(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside", "names": [ "(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside" ] }, { "compound_id": "C04861", "inchi": "InChI=1S/C24H42O21/c25-1-5-10(30)14(34)19(21(38)39-5)44-24-20(15(35)11(31)7(3-27)42-24)45-23-17(37)18(12(32)8(4-28)41-23)43-22-16(36)13(33)9(29)6(2-26)40-22/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18?,19?,20?,21?,22?,23?,24?/m1/s1", "name": "1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose", "names": [ "1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose" ] }, { "compound_id": "C04862", "inchi": "InChI=1S/C40H85NO7P2S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-49(42,43)48-40(38-47-50(44,45)46-35-34-41(3,4)5)39-51-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3,(H-,42,43,44,45)/p+1/t40-/m0/s1", "name": "1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine", "names": [ "1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C04864", "inchi": "InChI=1S/C14H21NO14S/c1-4(17)15-8-11(10(29-30(23,24)25)7(3-16)26-13(8)22)28-14-9(19)5(18)2-6(27-14)12(20)21/h2,5,7-11,13-14,16,18-19,22H,3H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)/t5-,7+,8+,9+,10-,11+,13?,14-/m0/s1", "name": "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate", "names": [ "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate" ] }, { "compound_id": "C04865", "inchi": "InChI=1S/C14H21NO14S/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)/t5-,7+,8+,9+,10-,11+,13?,14-/m0/s1", "name": "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate", "names": [ "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate" ] }, { "compound_id": "C04866", "inchi": null, "name": "alpha-D-Galactosyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactoside", "names": [ "Glycoprotein alpha-D-galactosyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactose", "alpha-D-Galactosyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactoside", "alpha-D-Galactosyl-(1->3)-[alpha-L-fucosyl(1->2)]-D-galactosyl-R" ] }, { "compound_id": "C04867", "inchi": "InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17+/m1/s1", "name": "Juvenile hormone II", "names": [ "Juvenile hormone II", "Methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate" ] }, { "compound_id": "C04871", "inchi": "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)", "name": "Haloxyfop", "names": [ "(RS)-2-[4-(3-Chloro-5-(trifluoromethyl-2-pyridyloxy)phenoxy]-propionic acid", "Haloxyfop" ] }, { "compound_id": "C04872", "inchi": null, "name": "1,2-Diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol", "names": [ "1,2-Diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol" ] }, { "compound_id": "C04873", "inchi": "InChI=1S/C40H83N2O5PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-49-38-39(37-47-48(44,45)46-35-34-42(3,4)5)41-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3,(H-,41,43,44,45)/p+1/t39-/m0/s1", "name": "1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3-phosphocholine", "names": [ "1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C04874", "inchi": "InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6+/m1/s1", "name": "2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine", "names": [ "2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine", "7,8-Dihydroneopterin", "Dihydroneopterin" ] }, { "compound_id": "C04875", "inchi": "InChI=1S/C17H27NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,15,18-20H,4,7-8,10-11H2,1-3H3", "name": "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol", "names": [ "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol", "(+/-)-Dihydrobunolol" ] }, { "compound_id": "C04876", "inchi": "InChI=1S/C33H54N6O20/c1-11(26(47)39-17(30(53)54)8-9-19(43)38-16(29(51)52)7-5-6-15(34)28(49)50)35-27(48)12(2)56-25-21(37-14(4)42)31(55)58-33(24(25)46)59-32-20(36-13(3)41)23(45)22(44)18(10-40)57-32/h11-12,15-18,20-25,31-33,40,44-46,55H,5-10,34H2,1-4H3,(H,35,48)(H,36,41)(H,37,42)(H,38,43)(H,39,47)(H,49,50)(H,51,52)(H,53,54)/t11-,12+,15?,16-,17+,18+,20+,21+,22+,23+,24-,25+,31?,32+,33+/m0/s1", "name": "N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine", "names": [ "N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine" ] }, { "compound_id": "C04877", "inchi": "InChI=1S/C35H55N7O26P2/c1-13(28(50)40-18(33(56)57)7-8-21(45)39-17(32(54)55)6-4-5-16(36)31(52)53)37-29(51)14(2)64-27-23(38-15(3)44)34(66-19(11-43)25(27)48)67-70(61,62)68-69(59,60)63-12-20-24(47)26(49)30(65-20)42-10-9-22(46)41-35(42)58/h9-10,13-14,16-20,23-27,30,34,43,47-49H,4-8,11-12,36H2,1-3H3,(H,37,51)(H,38,44)(H,39,45)(H,40,50)(H,52,53)(H,54,55)(H,56,57)(H,59,60)(H,61,62)(H,41,46,58)/t13-,14-,16-,17+,18?,19-,20-,23-,24-,25-,26-,27-,30-,34-/m1/s1", "name": "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate", "names": [ "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate", "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate" ] }, { "compound_id": "C04880", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3-(R1)-beta-D-mannosyl-R2", "names": [ "3-(2-[N-Acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R", "N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3-(R1)-beta-D-mannosyl-R2" ] }, { "compound_id": "C04881", "inchi": "InChI=1S/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-85-91(81,82)90-92(83,84)89-71-65(73-61(14)77)68(80)69(63(48-75)87-71)88-70-64(72-60(13)76)67(79)66(78)62(47-74)86-70/h25,27,29,31,33,35,37,39,41,43,45,62-71,74-75,78-80H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,72,76)(H,73,77)(H,81,82)(H,83,84)/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64+,65-,66-,67-,68-,69?,70?,71-/m1/s1", "name": "N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol", "names": [ "N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol" ] }, { "compound_id": "C04882", "inchi": "InChI=1S/C41H65N9O28P2/c1-15(32(58)45-17(3)37(62)63)44-35(61)21(8-6-7-20(42)38(64)65)47-25(53)10-9-22(39(66)67)48-33(59)16(2)43-34(60)18(4)74-31-27(46-19(5)52)40(76-23(13-51)29(31)56)77-80(71,72)78-79(69,70)73-14-24-28(55)30(57)36(75-24)50-12-11-26(54)49-41(50)68/h11-12,15-18,20-24,27-31,36,40,51,55-57H,6-10,13-14,42H2,1-5H3,(H,43,60)(H,44,61)(H,45,58)(H,46,52)(H,47,53)(H,48,59)(H,62,63)(H,64,65)(H,66,67)(H,69,70)(H,71,72)(H,49,54,68)/t15-,16+,17-,18-,20-,21+,22-,23-,24-,27-,28-,29-,30-,31-,36-,40-/m1/s1", "name": "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine", "names": [ "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine", "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine", "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine" ] }, { "compound_id": "C04883", "inchi": "InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3", "name": "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone", "names": [ "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone", "(+/-)-Bunolol" ] }, { "compound_id": "C04884", "inchi": null, "name": "N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", "names": [ "GM2", "GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", "N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-1,4-beta-D-glucosyl-N-acylsphingosine", "N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", "Tay-Sachs ganglioside" ] }, { "compound_id": "C04885", "inchi": null, "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-D-galactosaminyl-R", "names": [ "N-Acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-D-galactosaminyl-R", "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-D-galactosaminyl-R" ] }, { "compound_id": "C04886", "inchi": "InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20?,21+,22+,23?,25+/m0/s1", "name": "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine", "names": [ "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine" ] }, { "compound_id": "C04887", "inchi": null, "name": "alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-R", "names": [ "alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-R" ] }, { "compound_id": "C04890", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R", "names": [ "N-Acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosaminyl-R", "N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R" ] }, { "compound_id": "C04891", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R", "names": [ "N-Acetyl-beta-D-glucosaminyl-(1->6)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosaminyl-R", "N-Acetyl-beta-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R" ] }, { "compound_id": "C04894", "inchi": "InChI=1S/C43H70N10O27P2/c1-17(44)34(61)45-13-8-7-9-23(38(65)47-18(2)35(62)48-20(4)40(66)67)50-27(56)11-10-24(41(68)69)51-36(63)19(3)46-37(64)21(5)76-33-29(49-22(6)55)42(78-25(15-54)31(33)59)79-82(73,74)80-81(71,72)75-16-26-30(58)32(60)39(77-26)53-14-12-28(57)52-43(53)70/h12,14,17-21,23-26,29-33,39,42,54,58-60H,7-11,13,15-16,44H2,1-6H3,(H,45,61)(H,46,64)(H,47,65)(H,48,62)(H,49,55)(H,50,56)(H,51,63)(H,66,67)(H,68,69)(H,71,72)(H,73,74)(H,52,57,70)/t17-,18+,19-,20+,21+,23-,24+,25+,26+,29+,30+,31+,32+,33+,39+,42+/m0/s1", "name": "UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine", "names": [ "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine", "UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine" ] }, { "compound_id": "C04895", "inchi": "InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1", "name": "2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate", "names": [ "2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate", "6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin", "6-[(1S,2R)-1,2-Dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin", "7,8-Dihydroneopterin 3'-triphosphate" ] }, { "compound_id": "C04896", "inchi": "InChI=1S/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", "name": "5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide", "names": [ "1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide", "5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide", "N-(5'-Phospho-D-ribosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide", "N-(5'-Phosphoribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide", "Phosphoribosyl-formimino-AICAR-phosphate" ] }, { "compound_id": "C04898", "inchi": null, "name": "Oligosaccharide with terminal 4-deoxy-6-methyl-alpha-D-galact-4-enuronosyl group", "names": [ "Oligosaccharide with terminal 4-deoxy-6-methyl-alpha-D-galact-4-enuronosyl group" ] }, { "compound_id": "C04899", "inchi": "InChI=1S/C21H32N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)10(44-21)5-42-49(39,40)46-48(37,38)41-4-9-13(30)15(32)20(43-9)27-3-8(18(23)33)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-32H,1-2,4-5H2,(H2,23,33)(H,37,38)(H,39,40)(H2,22,24,25)(H2,34,35,36)/t9-,10-,11?,13-,14-,15-,16-,20-,21-/m1/s1", "name": "(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2'-phosphate", "names": [ "(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2'-phosphate" ] }, { "compound_id": "C04900", "inchi": "InChI=1S/C33H34O24/c34-9-3-7(1-2-12(9)53-31-22(43)16(37)18(39)24(54-31)28(45)46)13-6-11(36)15-10(35)4-8(5-14(15)52-13)51-33-27(21(42)20(41)26(56-33)30(49)50)57-32-23(44)17(38)19(40)25(55-32)29(47)48/h1-6,16-27,31-35,37-44H,(H,45,46)(H,47,48)(H,49,50)/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27?,31+,32?,33+/m0/s1", "name": "Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide", "names": [ "Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide" ] }, { "compound_id": "C04901", "inchi": null, "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R", "names": [ "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R" ] }, { "compound_id": "C04902", "inchi": null, "name": "beta-D-Galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl-R", "names": [ "beta-D-Galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl-R" ] }, { "compound_id": "C04903", "inchi": null, "name": "3-beta-D-Glucuronosyl-3-beta-D-galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein", "names": [ "3-beta-D-Glucuronosyl-3-beta-D-galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein", "beta-D-Glucuronyl-1,3-D-galactosylproteoglycan" ] }, { "compound_id": "C04904", "inchi": "InChI=1S/C37H61N7O21/c1-13(30(52)44-20(35(59)60)9-10-23(49)43-19(8-6-7-18(38)34(57)58)32(54)40-14(2)33(55)56)39-31(53)15(3)62-29-25(42-17(5)48)36(61)63-22(12-46)28(29)65-37-24(41-16(4)47)27(51)26(50)21(11-45)64-37/h13-15,18-22,24-29,36-37,45-46,50-51,61H,6-12,38H2,1-5H3,(H,39,53)(H,40,54)(H,41,47)(H,42,48)(H,43,49)(H,44,52)(H,55,56)(H,57,58)(H,59,60)/t13-,14+,15+,18?,19-,20+,21+,22+,24+,25+,26+,27+,28?,29+,36-,37?/m0/s1", "name": "N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine", "names": [ "N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine" ] }, { "compound_id": "C04905", "inchi": "InChI=1S/C14H19N4O.BrH/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15;/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1", "name": "1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide", "names": [ "1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide" ] }, { "compound_id": "C04906", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-R", "names": [ "2,6-Bis(N-acetyl-beta-D-glucosaminyl)-alpha-D-mannosyl-R", "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-R" ] }, { "compound_id": "C04907", "inchi": null, "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein", "names": [ "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein" ] }, { "compound_id": "C04908", "inchi": "InChI=1S/C14H17N3O2.BrH/c1-10-12(5-7-18)4-3-6-17(10)9-13-8-15-11(2)16-14(13)19;/h3-4,6,8,18H,5,7,9H2,1-2H3;1H", "name": "1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide", "names": [ "1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide" ] }, { "compound_id": "C04909", "inchi": null, "name": "alpha-D-Glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O-alkyl-2-O-acylglycerol", "names": [ "alpha-D-Glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O-alkyl-2-O-acylglycerol" ] }, { "compound_id": "C04910", "inchi": null, "name": "1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide", "names": [ "1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide", "Ceramidetetrahexoside", "Ceramidetetrasaccharide", "Lc4Cer", "Paragloboside" ] }, { "compound_id": "C04911", "inchi": null, "name": "D-Galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", "names": [ "D-Galactosyl-1,3-beta-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosyl-N-acylsphingosine", "D-Galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", "GM1", "GM1a", "Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer" ] }, { "compound_id": "C04913", "inchi": null, "name": "N-Acetyl-beta-D-galactosaminyl-1,4-beta-D-glucuronyl-N-acetyl-1,3-beta-D-galactosaminylproteoglycan", "names": [ "N-Acetyl-beta-D-galactosaminyl-1,4-beta-D-glucuronyl-N-acetyl-1,3-beta-D-galactosaminylproteoglycan" ] }, { "compound_id": "C04914", "inchi": null, "name": "alpha-D-Mannosyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3)-beta-D-mannosyl-R", "names": [ "alpha-D-Mannosyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3)-beta-D-mannosyl-R" ] }, { "compound_id": "C04916", "inchi": "InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8-,10+,11-,12-,15-/m1/s1", "name": "N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide", "names": [ "5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide", "N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide", "Phosphoribulosyl-formimino-AICAR-phosphate" ] }, { "compound_id": "C04917", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,3)-N-acetyl-D-galactosaminyl-R", "names": [ "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,3)-N-acetyl-D-galactosaminyl-R" ] }, { "compound_id": "C04919", "inchi": "InChI=1S/C68H130N2O23P2/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(90-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)56(89-68(61)93-95(84,85)86)50-87-67-62(70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2)66(64(55(49-71)88-67)92-94(81,82)83)91-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4/h51-56,61-68,71-75,80H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,81,82,83)(H2,84,85,86)/t51?,52?,53?,54?,55-,56-,61-,62-,63-,64-,65-,66-,67-,68+/m1/s1", "name": "2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate", "names": [ "2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate", "2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate", "Lipid A disaccharide bisphosphate", "Lipid IV(A)" ] }, { "compound_id": "C04920", "inchi": null, "name": "6-Sulfo-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O-alkyl-2-O-acylglycerol", "names": [ "6-Sulfo-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O-alkyl-2-O-acylglycerol" ] }, { "compound_id": "C04922", "inchi": null, "name": "beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide", "names": [ "D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide", "beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" ] }, { "compound_id": "C04923", "inchi": "InChI=1S/C32H55NO26/c1-7(39)33-13-19(45)14(40)9(3-35)52-29(13)59-27-24(56-30-23(49)20(46)15(41)10(4-36)53-30)18(44)12(6-38)55-32(27)58-26-22(48)17(43)11(5-37)54-31(26)57-25-21(47)16(42)8(2-34)51-28(25)50/h8-32,34-38,40-50H,2-6H2,1H3,(H,33,39)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23+,24?,25?,26?,27?,28?,29?,30?,31?,32?/m1/s1", "name": "1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose", "names": [ "1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose" ] }, { "compound_id": "C04924", "inchi": null, "name": "N-Acetyl-D-galactosaminyl-1,4-beta-N-acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide", "names": [ "GalNAc-beta1->4Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer", "N-Acetyl-D-galactosaminyl-1,4-beta-N-acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide" ] }, { "compound_id": "C04925", "inchi": null, "name": "N-Acetyl-D-galactosaminyl-N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide", "names": [ "Forssman hapten", "GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer", "GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->4LacCer", "N-Acetyl-D-galactosaminyl-N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide" ] }, { "compound_id": "C04926", "inchi": null, "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactose-1,3-(alpha-N-acetylneuraminyl-2,6)-N-acetyl-D-galactosaminyl-R", "names": [ "N-Acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminyl-(2->6)]-N-acetyl-D-galactosaminyl-R", "alpha-N-Acetylneuraminyl-2,3-beta-D-galactose-1,3-(alpha-N-acetylneuraminyl-2,6)-N-acetyl-D-galactosaminyl-R" ] }, { "compound_id": "C04927", "inchi": null, "name": "N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", "names": [ "GD1a", "N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", "NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", "NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)LacCer" ] }, { "compound_id": "C04930", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl-R", "names": [ "N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl-R" ] }, { "compound_id": "C04931", "inchi": "InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17?,18-/m1/s1", "name": "Argatroban", "names": [ "(2R,4R)-4-Methyl-1[Nalpha-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl)]-2-piperadinecarboxylic acid", "Argatroban" ] }, { "compound_id": "C04932", "inchi": "InChI=1S/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90-91(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)/t51?,52?,53?,54?,55-,56-,61-,62-,63-,64-,65-,66-,67-,68+/m1/s1", "name": "2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate", "names": [ "2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate", "2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate", "2,3-Bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(3-hydroxy-tetradecanoyl)-D-glucosaminyl beta-phosphate", "2,3-Bis-(beta-hydroxymyristoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(beta-hydroxymyristoyl)-D-glucosaminyl beta-phosphate", "Lipid A disaccharide" ] }, { "compound_id": "C04934", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)-(N-acetyl-beta-D-glucosaminyl-1,4)-alpha-D-mannosyl-R", "names": [ "2,4,6-Tris(N-acetyl-beta-D-glucosaminyl)-alpha-D-mannosyl-R", "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)-(N-acetyl-beta-D-glucosaminyl-1,4)-alpha-D-mannosyl-R" ] }, { "compound_id": "C04936", "inchi": null, "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide", "names": [ "Neu5Ac-alpha2->3Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide" ] }, { "compound_id": "C04937", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3)-beta-D-mannosyl-R", "names": [ "N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3)-beta-D-mannosyl-R" ] }, { "compound_id": "C04938", "inchi": null, "name": "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide", "names": [ "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" ] }, { "compound_id": "C04939", "inchi": null, "name": "N-Acetyl-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide", "names": [ "N-Acetyl-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" ] }, { "compound_id": "C04940", "inchi": null, "name": "(N-Acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-(beta-N-acetyl-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6)-beta-D-mannosyl-R", "names": [ "(N-Acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-(beta-N-acetyl-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6)-beta-D-mannosyl-R" ] }, { "compound_id": "C04942", "inchi": null, "name": "beta-D-Mannosyl-R", "names": [ "beta-D-Mannosyl-R" ] }, { "compound_id": "C04943", "inchi": null, "name": "N-Acetyl-beta-D-glucosaminyl-1,4-(N-acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-beta-D-mannosyl-R", "names": [ "3-(2,4-Bis[N-acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R", "N-Acetyl-beta-D-glucosaminyl-1,4-(N-acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-beta-D-mannosyl-R" ] }, { "compound_id": "C04944", "inchi": null, "name": "6-(2-[N-Acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R", "names": [ "6-(2-[N-Acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R" ] }, { "compound_id": "C05001", "inchi": "InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1", "name": "Fructose 1-phosphate(pyranose)", "names": [ "Fructose 1-phosphate(pyranose)" ] }, { "compound_id": "C05003", "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1", "name": "Fructose(pyranose)", "names": [ "Fructose(pyranose)" ] }, { "compound_id": "C05005", "inchi": null, "name": "Glycolipid", "names": [ "Glycolipid" ] }, { "compound_id": "C05009", "inchi": null, "name": "Heme-thiolate(P-450)", "names": [ "Heme-thiolate(P-450)" ] }, { "compound_id": "C05010", "inchi": "InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1", "name": "Histidylleucine", "names": [ "His-Leu", "Histidylleucine", "N-L-Histidyl-L-leucin" ] }, { "compound_id": "C05011", "inchi": "InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-", "name": "Hydroxytamoxifen", "names": [ "4-Hydroxytamoxifen", "Hydroxytamoxifen" ] }, { "compound_id": "C05016", "inchi": "InChI=1S/C6H11NO4/c1-11-6(10)4(7)2-3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1", "name": "L-Glutamate methylester", "names": [ "L-Glutamate methylester" ] }, { "compound_id": "C05021", "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1", "name": "N-Acetyl-beta-D-galactosamine", "names": [ "N-Acetyl-beta-D-galactosamine" ] }, { "compound_id": "C05026", "inchi": "InChI=1S/C6H9N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,5H,7H2,1H3,(H,8,9)", "name": "N3-Metyladenine", "names": [ "N3-Metyladenine" ] }, { "compound_id": "C05028", "inchi": "InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1", "name": "Norethindrone", "names": [ "19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one", "19-Norethisterone", "Norethindrone" ] }, { "compound_id": "C05031", "inchi": "InChI=1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1", "name": "O6-Methyl-2'-deoxyguanosine", "names": [ "O6-Methyl-2'-deoxyguanosine" ] }, { "compound_id": "C05042", "inchi": "InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)", "name": "Glufosinate", "names": [ "2-Amino-4-(hydroxymethylphosphinyl)butanoic acid", "Glufosinate", "Phosphinothricin" ] }, { "compound_id": "C05052", "inchi": "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2", "name": "Ribulose", "names": [ "Ribulose" ] }, { "compound_id": "C05056", "inchi": null, "name": "cis-2-Enoyl-CoA", "names": [ "cis-2-Enoyl-CoA" ] }, { "compound_id": "C05057", "inchi": null, "name": "cis-3-Enoyl-CoA", "names": [ "cis-3-Enoyl-CoA" ] }, { "compound_id": "C05058", "inchi": "InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2", "name": "m-Aminophenol", "names": [ "3-Aminophenol", "3-Hydroxyaniline", "m-Aminophenol" ] }, { "compound_id": "C05060", "inchi": "InChI=1S/C6H5O2/c7-5-3-1-2-4-6(5)8/h1-4,7H", "name": "o-Benzosemiquinone", "names": [ "2-Hydroxyphenoxy radical", "o-Benzosemiquinone" ] }, { "compound_id": "C05067", "inchi": null, "name": "trans-3-Enoyl-CoA", "names": [ "trans-3-Enoyl-CoA" ] }, { "compound_id": "C05071", "inchi": "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)", "name": "Chlorsulfuron", "names": [ "Chlorsulfuron" ] }, { "compound_id": "C05073", "inchi": "InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1", "name": "Coumermycin A1", "names": [ "Coumermycin", "Coumermycin A1" ] }, { "compound_id": "C05076", "inchi": "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)", "name": "Imazaquin", "names": [ "Imazaquin" ] }, { "compound_id": "C05079", "inchi": "InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)", "name": "Nalidixic acid", "names": [ "Nalidixic acid" ] }, { "compound_id": "C05080", "inchi": "InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1", "name": "Novobiocin", "names": [ "Novobiocin" ] }, { "compound_id": "C05086", "inchi": "InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+", "name": "Cyclosporin A", "names": [ "Ciclosporin", "Cyclosporin A", "Cyclosporine" ] }, { "compound_id": "C05100", "inchi": "InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)", "name": "3-Ureidoisobutyrate", "names": [ "3-Ureidoisobutyrate" ] }, { "compound_id": "C05102", "inchi": null, "name": "alpha-Hydroxy fatty acid", "names": [ "alpha-Hydroxy fatty acid" ] }, { "compound_id": "C05103", "inchi": "InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20?,22?,23+,24?,26+,27-,28+/m1/s1", "name": "4alpha-Methylzymosterol", "names": [ "4alpha-Methylzymosterol" ] }, { "compound_id": "C05104", "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20?,21+,23-,24+,25+,26+,27-/m1/s1", "name": "delta7,24-Cholestadien-3beta-ol", "names": [ "delta7,24-Cholestadien-3beta-ol" ] }, { "compound_id": "C05107", "inchi": "InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1", "name": "7-Dehydrodesmosterol", "names": [ "7-Dehydrodesmosterol", "Cholesta-5,7,24-triene-3beta-ol" ] }, { "compound_id": "C05108", "inchi": "InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22-,23?,25+,26+,28-,29-/m1/s1", "name": "14-Demethyllanosterol", "names": [ "14-Demethyllanosterol", "4,4-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol", "4,4-Dimethyl-8,24-cholestadienol" ] }, { "compound_id": "C05109", "inchi": "InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1", "name": "24,25-Dihydrolanosterol", "names": [ "24,25-Dihydrolanosterol" ] }, { "compound_id": "C05110", "inchi": "InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22-,23?,24+,26+,27-,28+/m1/s1", "name": "4alpha-Methylcholesta-8-en-3beta-ol", "names": [ "4alpha-Methylcholesta-8-en-3beta-ol" ] }, { "compound_id": "C05111", "inchi": "InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19?,20-,22?,23?,24?,25?,26-,27+,28-/m0/s1", "name": "Methostenol", "names": [ "4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol", "Methostenol" ] }, { "compound_id": "C05113", "inchi": "InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-", "name": "Porphyrin", "names": [ "Porphyrin" ] }, { "compound_id": "C05114", "inchi": null, "name": "Mucopolysaccharide", "names": [ "Mucopolysaccharide" ] }, { "compound_id": "C05116", "inchi": "InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20?,24-/m1/s1", "name": "3-Hydroxybutanoyl-CoA", "names": [ "3-Hydroxybutanoyl-CoA" ] }, { "compound_id": "C05117", "inchi": "InChI=1S/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t13?,14-,18-,19-,20?,24-/m1/s1", "name": "3-Aminobutanoyl-CoA", "names": [ "3-Aminobutanoyl-CoA" ] }, { "compound_id": "C05118", "inchi": "InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)", "name": "S-(2-Methylbutanoyl)-dihydrolipoamide", "names": [ "S-(2-Methylbutanoyl)-dihydrolipoamide" ] }, { "compound_id": "C05119", "inchi": "InChI=1S/C13H25NO2S2/c1-10(2)9-13(16)18-8-7-11(17)5-3-4-6-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)", "name": "S-(3-Methylbutanoyl)-dihydrolipoamide", "names": [ "S-(3-Methylbutanoyl)-dihydrolipoamide" ] }, { "compound_id": "C05122", "inchi": "InChI=1/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24?,25+,26-/m1/s1/f/h27,32H", "name": "Taurocholate", "names": [ "Taurocholate" ] }, { "compound_id": "C05123", "inchi": "InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)", "name": "2-Hydroxyethanesulfonate", "names": [ "2-Hydroxyethane-1-sulfonic acid", "2-Hydroxyethanesulfonate", "2-Hydroxyethanesulfonic acid", "Isethionate", "Isethionic acid" ] }, { "compound_id": "C05125", "inchi": "InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1", "name": "2-(alpha-Hydroxyethyl)thiamine diphosphate", "names": [ "2-(alpha-Hydroxyethyl)thiamine diphosphate", "2-Hydroxyethyl-ThPP" ] }, { "compound_id": "C05126", "inchi": "InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h4H,1-3H3/b5-4+", "name": "Dimethyl citraconate", "names": [ "2-Butenedioic acid, 2-methyl-, dimethyl ester, (Z)-", "Citraconate de dimethyle", "Citraconic acid dimethyl ester", "Citraconic acid, dimethyl ester", "Dimethyl citraconate", "Dimethyl methylmaleate", "Methylmaleic acid, dimethyl ester" ] }, { "compound_id": "C05127", "inchi": "InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3", "name": "N-Methylhistamine", "names": [ "1-Methyl-4-(2-aminoethyl)imidazole", "1-Methylhistamine", "N-Methylhistamine", "Ntau-Methylhistamine" ] }, { "compound_id": "C05130", "inchi": "InChI=1S/C5H6N2O/c8-2-1-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)", "name": "Imidazole-4-acetaldehyde", "names": [ "Imidazole acetaldehyde", "Imidazole-4-acetaldehyde" ] }, { "compound_id": "C05131", "inchi": "InChI=1/C10H14N2O6/c13-3-6-8(16)9(17)10(18-6)12-2-5(11-4-12)1-7(14)15/h2,4,6,8-10,13,16-17H,1,3H2,(H,14,15)/t6-,8-,9-,10-/m1/s1/f/h14H", "name": "(1-Ribosylimidazole)-4-acetate", "names": [ "(1-Ribosylimidazole)-4-acetate" ] }, { "compound_id": "C05133", "inchi": "InChI=1S/C5H6N2O3/c8-4(9)1-3-5(10)7-2-6-3/h2-3H,1H2,(H,8,9)(H,6,7,10)", "name": "4-Imidazolone-5-acetate", "names": [ "(5-Hydroxyimidazole)-4-acetate", "4-Imidazolone-5-acetate", "5-Hydroxy-4-imidazoleacetate", "Imidazolone acetate" ] }, { "compound_id": "C05135", "inchi": "InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)", "name": "4-(beta-Acetylaminoethyl)imidazole", "names": [ "4-(beta-Acetylaminoethyl)imidazole", "N-Acetylhistamine" ] }, { "compound_id": "C05136", "inchi": "InChI=1S/C16H25N5O14P2/c1-5-6(22)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)21-4-18-9-12(21)19-16(17)20-13(9)26/h4-8,10-11,14-15,22-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,17,19,20,26)/t5-,6-,7-,8-,10-,11-,14-,15+/m1/s1", "name": "GDP-3,6-dideoxy-D-galactose", "names": [ "GDP-3,6-dideoxy-D-galactose" ] }, { "compound_id": "C05138", "inchi": "InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18?,19-,20-,21-/m0/s1", "name": "17alpha-Hydroxypregnenolone", "names": [ "17alpha-Hydroxypregnenolone" ] }, { "compound_id": "C05139", "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1", "name": "16alpha-Hydroxydehydroepiandrosterone", "names": [ "16alpha-Hydroxydehydroepiandrosterone", "5-Androstene-3beta,16alpha-diol-17-one" ] }, { "compound_id": "C05140", "inchi": "InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1", "name": "16alpha-Hydroxyandrost-4-ene-3,17-dione", "names": [ "16alpha-Hydroxyandrost-4-ene-3,17-dione", "4-Androsten-16alpha-ol-3,17-dione" ] }, { "compound_id": "C05141", "inchi": "InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1", "name": "Estriol", "names": [ "1,3,5(10)-Estratriene-3,16-alpha,17beta-triol", "Estriol" ] }, { "compound_id": "C05143", "inchi": "InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1", "name": "Dhurrin", "names": [ "(S)-4-Hydroxymandelonitrile beta-D-glucoside", "Dhurrin" ] }, { "compound_id": "C05144", "inchi": null, "name": "(beta-D-Mannuronate)n", "names": [ "(beta-D-Mannuronate)n", "Poly(beta-D-mannuronate)", "Polymannuronate" ] }, { "compound_id": "C05145", "inchi": "InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)", "name": "3-Aminoisobutyric acid", "names": [ "3-Amino-2-methylpropanoate", "3-Aminoisobutanoate", "3-Aminoisobutyric acid" ] }, { "compound_id": "C05146", "inchi": "InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)", "name": "Hydantoin", "names": [ "Glycolylurea", "Hydantoin" ] }, { "compound_id": "C05147", "inchi": "InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1", "name": "trans-L-3-Hydroxyproline", "names": [ "trans-L-3-Hydroxyproline" ] }, { "compound_id": "C05148", "inchi": "InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18?,19-,20+,21?,24?,25?,26-,29+,31+,32+/m0/s1", "name": "Debromoaplysiatoxin", "names": [ "Debromoaplysiatoxin" ] }, { "compound_id": "C05149", "inchi": "InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37?,38+,43+,46+,47-/m1/s1", "name": "Bryostatin 1", "names": [ "Bryostatin 1" ] }, { "compound_id": "C05150", "inchi": "InChI=1S/C28H41N3O2/c1-9-27(6)10-11-28(7,17(4)5)20-13-21-22-18(14-29-24(22)23(20)27)12-19(15-32)30-26(33)25(16(2)3)31(21)8/h9,13-14,16-17,19,25,29,32H,1,10-12,15H2,2-8H3,(H,30,33)/t19-,25-,27-,28-/m0/s1", "name": "Teleocidin B-1", "names": [ "(4S,7S,10S,13R)-13-Ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(hydroxymethyl)-8,10,13-trimethyl-7,10-diisopropyl-6H-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one", "Teleocidin B-1" ] }, { "compound_id": "C05151", "inchi": "InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1", "name": "12-O-Tetradecanoylphorbol 13-acetate", "names": [ "12-O-Tetradecanoylphorbol 13-acetate", "12-Tetradecanoylphorbol 13-acetate", "Phorbol 12-myristate 13-acetate" ] }, { "compound_id": "C05153", "inchi": "InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3", "name": "7-Hydroxy-(S)-usnate", "names": [ "7-Hydroxy-(S)-usnate" ] }, { "compound_id": "C05155", "inchi": "InChI=1S/C10H8ClN3O5/c11-8-5(12)4-13-14(9(8)17)7(16)3-1-2-6(15)10(18)19/h1-4,15H,12H2,(H,18,19)/b3-1-,6-2+", "name": "5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone", "names": [ "5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone", "5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone" ] }, { "compound_id": "C05156", "inchi": null, "name": "Aminoacyl-tRNA", "names": [ "Aminoacyl-tRNA" ] }, { "compound_id": "C05157", "inchi": null, "name": "Peptidyl-aminoacyl-tRNA", "names": [ "Peptidyl-aminoacyl-tRNA" ] }, { "compound_id": "C05158", "inchi": "InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1", "name": "trans-beta-D-Glucosyl-2-hydroxycinnamate", "names": [ "beta-D-Glucosyl-2-coumarate", "trans-beta-D-Glucosyl-2-hydroxycinnamate" ] }, { "compound_id": "C05159", "inchi": null, "name": "6-(2,6-Bis[N-acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R", "names": [ "6-(2,6-Bis[N-acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R" ] }, { "compound_id": "C05161", "inchi": "InChI=1S/C6H14N2O2/c1-4(7)2-3-5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)", "name": "2,5-Diaminohexanoate", "names": [ "2,5-Diaminohexanoate" ] }, { "compound_id": "C05163", "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5+,6-,7-", "name": "O-Methyl-scyllo-inositol", "names": [ "1-O-Methyl-scyllo-inositol", "O-Methyl-scyllo-inositol" ] }, { "compound_id": "C05165", "inchi": "InChI=1S/C28H43N8O18P3S/c1-28(2,22(40)25(41)32-6-5-18(38)31-7-8-58-27(42)15-9-14(37)3-4-16(15)29)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)36-13-35-19-23(30)33-12-34-24(19)36/h12-13,17,20-22,26,39-40H,3-11,29H2,1-2H3,(H,31,38)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,20-,21-,22?,26-/m1/s1", "name": "2-Amino-5-oxocyclohex-1-enecarbonyl-CoA", "names": [ "2-Amino-5-oxo-cyclohex-1-enecarboxy-CoA", "2-Amino-5-oxocyclohex-1-enecarbonyl-CoA" ] }, { "compound_id": "C05167", "inchi": null, "name": "alpha-Amino acid", "names": [ "alpha-Amino acid" ] }, { "compound_id": "C05172", "inchi": "InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)", "name": "Selenophosphoric acid", "names": [ "Selenophosphate", "Selenophosphoric acid" ] }, { "compound_id": "C05174", "inchi": "InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1", "name": "(S)-Cheilanthifoline", "names": [ "(6aS)-6,6a,11,14-Tetrahydro-8-methoxy-12H-benzo[a]-1,3-benzodioxolo[4,5-g]quinolizim-9-ol", "(S)-Cheilanthifoline" ] }, { "compound_id": "C05175", "inchi": "InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1", "name": "Stylopine", "names": [ "(S)-Stylopine", "6,7,12b,13e-Tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizine", "Stylopine", "l-Tetrahydrocoptisine" ] }, { "compound_id": "C05176", "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m0/s1", "name": "(S)-N-Methylcoclaurine", "names": [ "(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol", "(S)-N-Methylcoclaurine" ] }, { "compound_id": "C05177", "inchi": "InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m0/s1", "name": "Berbamunine", "names": [ "(1S)-1,2,3,4-Tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol", "Berbamunine" ] }, { "compound_id": "C05178", "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m1/s1", "name": "(R)-Reticuline", "names": [ "(1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol", "(R)-Reticuline" ] }, { "compound_id": "C05179", "inchi": "InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1", "name": "Salutaridine", "names": [ "5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one", "Salutaridine", "Sinoacutine" ] }, { "compound_id": "C05183", "inchi": null, "name": "Ferrocytochrome b-561", "names": [ "Ferrocytochrome b-561" ] }, { "compound_id": "C05189", "inchi": "InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3", "name": "Protopine", "names": [ "Protopine" ] }, { "compound_id": "C05190", "inchi": "InChI=1S/C20H19NO6/c1-21-8-14-11(2-3-16-20(14)27-10-24-16)4-15(22)13-7-18-17(25-9-26-18)5-12(13)6-19(21)23/h2-3,5,7,19,23H,4,6,8-10H2,1H3", "name": "6-Hydroxyprotopine", "names": [ "6-Hydroxyprotopine" ] }, { "compound_id": "C05191", "inchi": "InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3", "name": "Dihydrosanguinarine", "names": [ "13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine", "Dihydrosanguinarine" ] }, { "compound_id": "C05193", "inchi": "InChI=1S/C21H17NO6/c1-22-7-13-19(17(24-2)6-18-21(13)28-9-27-18)12-3-14(23)10-4-15-16(26-8-25-15)5-11(10)20(12)22/h3-6,23H,7-9H2,1-2H3", "name": "12-Hydroxydihydrochelirubine", "names": [ "12-Hydroxychelirubine", "12-Hydroxydihydrochelirubine" ] }, { "compound_id": "C05194", "inchi": "InChI=1S/C21H17NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-7H,8-10H2,1-2H3", "name": "Dihydrochelirubine", "names": [ "13,14-Dihydro-5-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine", "Dihydrochelirubine" ] }, { "compound_id": "C05195", "inchi": "InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-7-6-18(37)30-8-9-57-27(41)15-4-3-5-16(36)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-5,10,13-14,17,20-22,26,36,38-39H,6-9,11-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", "name": "3-Hydroxybenzoyl-CoA", "names": [ "3-Hydroxybenzoyl-CoA" ] }, { "compound_id": "C05196", "inchi": null, "name": "Dihydroflavodoxin", "names": [ "Dihydroflavodoxin" ] }, { "compound_id": "C05197", "inchi": null, "name": "[Formate C-acetyltransferase]-glycine", "names": [ "[Formate C-acetyltransferase]-glycine" ] }, { "compound_id": "C05198", "inchi": "InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1", "name": "5'-Deoxyadenosine", "names": [ "5'-Deoxyadenosine" ] }, { "compound_id": "C05199", "inchi": null, "name": "Flavodoxin semiquinone", "names": [ "Flavodoxin semiquinone" ] }, { "compound_id": "C05200", "inchi": "InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+", "name": "3-Hexaprenyl-4,5-dihydroxybenzoate", "names": [ "3-Hexaprenyl-4,5-dihydroxybenzoate" ] }, { "compound_id": "C05201", "inchi": "InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2", "name": "(R,S)-Tetrahydrobenzylisoquinoline", "names": [ "(R,S)-Tetrahydrobenzylisoquinoline", "(RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinoline" ] }, { "compound_id": "C05202", "inchi": "InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/t14-/m0/s1", "name": "3'-Hydroxy-N-methyl-(S)-coclaurine", "names": [ "(S)-3'-Hydroxy-N-methylcoclaurine", "3'-Hydroxy-N-methyl-(S)-coclaurine" ] }, { "compound_id": "C05203", "inchi": "InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3", "name": "6-O-Methylnorlaudanosoline", "names": [ "6-O-Methylnorlaudanosoline" ] }, { "compound_id": "C05204", "inchi": "InChI=1S/C17H17N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-8,17H,9-12H2/t17-/m0/s1", "name": "(S)-7,8,13,14-Tetrahydroprotoberberine", "names": [ "(S)-7,8,13,14-Tetrahydroprotoberberine", "(S)-Tetrahydroprotoberberine" ] }, { "compound_id": "C05205", "inchi": null, "name": "[Cytochrome c] methionine", "names": [ "[Cytochrome c] L-methionine", "[Cytochrome c] methionine" ] }, { "compound_id": "C05206", "inchi": null, "name": "Histone L-arginine", "names": [ "Histone L-arginine", "Histone-arginine" ] }, { "compound_id": "C05207", "inchi": null, "name": "[Myeline basic protein] L-arginine", "names": [ "[Myelin basic protein]-arginine", "[Myeline basic protein] L-arginine" ] }, { "compound_id": "C05208", "inchi": null, "name": "1-Alkyl-2-arachidonyl-sn-glycero-3-phosphocholine", "names": [ "1-Alkyl-2-arachidonyl-sn-glycero-3-phosphocholine", "1-Organyl-2-arachidonyl-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C05209", "inchi": null, "name": "1-Alkyl-2-lyso-sn-glycero-3-phosphoethanolamine", "names": [ "1-Alkyl-2-lyso-sn-glycero-3-phosphoethanolamine", "1-Organyl-2-lyso-sn-glycero-3-phosphoethanolamine", "1-Radyl-2-lyso-sn-glycero-3-phosphoethanolamine" ] }, { "compound_id": "C05210", "inchi": null, "name": "1-Alkyl-2-arachidonyl-sn-glycero-3-phosphoethanolamine", "names": [ "1-Alkyl-2-arachidonyl-sn-glycero-3-phosphoethanolamine", "1-Organyl-2-arachidonyl-sn-glycero-3-phosphoethanolamine" ] }, { "compound_id": "C05212", "inchi": null, "name": "1-Radyl-2-acyl-sn-glycero-3-phosphocholine", "names": [ "1-Organyl-2-acyl-sn-glycero-3-phosphocholine", "1-Radyl-2-acyl-sn-glycero-3-phosphocholine", "2-Acyl-1-alkyl-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C05217", "inchi": null, "name": "1-Organyl-2-lyso-sn-glycero-3-phospholipid", "names": [ "1-Organyl-2-lyso-sn-glycero-3-phospholipid" ] }, { "compound_id": "C05218", "inchi": null, "name": "1-Radyl-2-acetyl-sn-glycero-3-phospholipid", "names": [ "1-Alkyl-2-acetyl-sn-glycero-3-phospholipid", "1-Radyl-2-acetyl-sn-glycero-3-phospholipid" ] }, { "compound_id": "C05220", "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13-14,21-22H,6-8H2,1-3H3/t13-,14+,19+/m1/s1", "name": "5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol", "names": [ "5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol", "Salutaridinol" ] }, { "compound_id": "C05223", "inchi": null, "name": "Dodecanoyl-[acyl-carrier protein]", "names": [ "Dodecanoyl-[acp]", "Dodecanoyl-[acyl-carrier protein]", "Lauroyl-[acyl-carrier protein]" ] }, { "compound_id": "C05226", "inchi": null, "name": "N-Carbamoyl-D-amino acid", "names": [ "N-Carbamoyl-D-amino acid" ] }, { "compound_id": "C05227", "inchi": null, "name": "UDP-sugar", "names": [ "UDP-monosaccharide", "UDP-sugar" ] }, { "compound_id": "C05229", "inchi": "InChI=1S/C20H22O5/c1-20(2,23)8-7-13-16(22)6-5-12-15-10-24-17-9-11(21)3-4-14(17)19(15)25-18(12)13/h3-6,9,15,19,21-23H,7-8,10H2,1-2H3/t15-,19-/m0/s1", "name": "Phaseollidin hydrate", "names": [ "Phaseollidin hydrate" ] }, { "compound_id": "C05230", "inchi": "InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1", "name": "Phaseollidin", "names": [ "(-)-Phaseollidin", "Phaseollidin" ] }, { "compound_id": "C05231", "inchi": "InChI=1S/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t13-,14+,18+,19+,20?,24+/m0/s1", "name": "L-3-Aminobutyryl-CoA", "names": [ "L-3-Aminobutyryl-CoA" ] }, { "compound_id": "C05232", "inchi": null, "name": "(2S)-2-Methylacyl-CoA", "names": [ "(2S)-2-Methylacyl-CoA" ] }, { "compound_id": "C05234", "inchi": null, "name": "Detyrosinated alpha-tubulin", "names": [ "Detyrosinated alpha-tubulin" ] }, { "compound_id": "C05235", "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3", "name": "Hydroxyacetone", "names": [ "1-Hydroxy-2-propanone", "2-Ketopropyl alcohol", "Acetol", "Acetone alcohol", "Hydroxyacetone", "Methylketol", "Pyruvic alcohol", "Pyruvinalcohol" ] }, { "compound_id": "C05239", "inchi": "InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)", "name": "5-Aminoimidazole", "names": [ "4-Aminoimidazole", "5-Aminoimidazole", "Aminoimidazole" ] }, { "compound_id": "C05241", "inchi": "InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)", "name": "ureidoglycolic acid", "names": [ "ureidoglycolic acid" ] }, { "compound_id": "C05243", "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m1/s1", "name": "(R)-N-Methylcoclaurine", "names": [ "(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol", "(R)-N-Methylcoclaurine" ] }, { "compound_id": "C05247", "inchi": "InChI=1S/C20H15NO5/c1-21-7-13-18(14(22)6-17-20(13)26-9-25-17)11-3-2-10-4-15-16(24-8-23-15)5-12(10)19(11)21/h2-6,22H,7-9H2,1H3", "name": "10-Hydroxydihydrosanguinarine", "names": [ "10-Hydroxydihydrosanguinarine" ] }, { "compound_id": "C05250", "inchi": null, "name": "[Protein-PII]", "names": [ "Nitrogen regulatory protein P-II", "[Protein-PII]" ] }, { "compound_id": "C05252", "inchi": "InChI=1S/C9H15N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2,4,7,15-17,19-22H,1H2,(H3,10,11,12,18)", "name": "2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-Tri-hydroxypropyl)-5,6,7,8-tetrahydroxypterin", "names": [ "2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-Tri-hydroxypropyl)-5,6,7,8-tetrahydroxypterin" ] }, { "compound_id": "C05253", "inchi": "InChI=1S/C9H15N5O6/c10-9-12-6-4(7(18)13-9)11-3(8(19)14(6)20)5(17)2(16)1-15/h2-3,5,8,11,15-17,19-20H,1H2,(H3,10,12,13,18)", "name": "2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin", "names": [ "2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin" ] }, { "compound_id": "C05258", "inchi": "InChI=1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25-,26+,30+,31+,32?,36+/m0/s1", "name": "(S)-3-Hydroxyhexadecanoyl-CoA", "names": [ "(S)-3-Hydroxyhexadecanoyl-CoA" ] }, { "compound_id": "C05259", "inchi": "InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32?,36-/m1/s1", "name": "3-Oxopalmitoyl-CoA", "names": [ "3-Ketopalmitoyl-CoA", "3-Oxohexadecanoyl-CoA", "3-Oxopalmitoyl-CoA" ] }, { "compound_id": "C05260", "inchi": "InChI=1S/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t23-,24+,28+,29+,30?,34+/m0/s1", "name": "(S)-3-Hydroxytetradecanoyl-CoA", "names": [ "(S)-3-Hydroxytetradecanoyl-CoA" ] }, { "compound_id": "C05261", "inchi": "InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-22,24,28-30,34,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t24-,28-,29-,30?,34-/m1/s1", "name": "3-Oxotetradecanoyl-CoA", "names": [ "3-Oxotetradecanoyl-CoA" ] }, { "compound_id": "C05262", "inchi": "InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22+,26+,27+,28?,32+/m0/s1", "name": "(S)-3-Hydroxydodecanoyl-CoA", "names": [ "(S)-3-Hydroxydodecanoyl-CoA" ] }, { "compound_id": "C05263", "inchi": "InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t22-,26-,27-,28?,32-/m1/s1", "name": "3-Oxododecanoyl-CoA", "names": [ "3-Oxododecanoyl-CoA" ] }, { "compound_id": "C05264", "inchi": "InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24+,25+,26?,30+/m0/s1", "name": "(S)-Hydroxydecanoyl-CoA", "names": [ "(S)-3-Hydroxydecanoyl-CoA", "(S)-Hydroxydecanoyl-CoA" ] }, { "compound_id": "C05265", "inchi": "InChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26?,30-/m1/s1", "name": "3-Oxodecanoyl-CoA", "names": [ "3-Oxodecanoyl-CoA" ] }, { "compound_id": "C05266", "inchi": "InChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18+,22+,23+,24?,28+/m0/s1", "name": "(S)-3-Hydroxyoctanoyl-CoA", "names": [ "(S)-3-Hydroxycapryloyl-CoA", "(S)-3-Hydroxyoctanoyl-CoA", "(S)-Hydroxyoctanoyl-CoA" ] }, { "compound_id": "C05267", "inchi": "InChI=1S/C29H48N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-16,18,22-24,28,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t18-,22-,23-,24?,28-/m1/s1", "name": "3-Oxooctanoyl-CoA", "names": [ "3-Oxooctanoyl-CoA" ] }, { "compound_id": "C05268", "inchi": "InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16+,20+,21+,22?,26+/m0/s1", "name": "(S)-Hydroxyhexanoyl-CoA", "names": [ "(3s)-3-hydroxyhexanoyl-coa", "(S)-3-Hydroxyhexanoyl-CoA", "(S)-Hydroxyhexanoyl-CoA" ] }, { "compound_id": "C05269", "inchi": "InChI=1S/C27H44N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-14,16,20-22,26,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t16-,20-,21-,22?,26-/m1/s1", "name": "3-Oxohexanoyl-CoA", "names": [ "3-Ketohexanoyl-CoA", "3-Oxohexanoyl-CoA" ] }, { "compound_id": "C05270", "inchi": "InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22?,26-/m1/s1", "name": "Hexanoyl-CoA", "names": [ "Hexanoyl-CoA" ] }, { "compound_id": "C05271", "inchi": "InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b7-6+/t16-,20-,21-,22?,26-/m1/s1", "name": "trans-Hex-2-enoyl-CoA", "names": [ "(2E)-Hexenoyl-CoA", "trans-Hex-2-enoyl-CoA" ] }, { "compound_id": "C05272", "inchi": "InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b17-16+/t26-,30-,31-,32?,36-/m1/s1", "name": "trans-Hexadec-2-enoyl-CoA", "names": [ "(2E)-Hexadecenoyl-CoA", "trans-2-Hexadecenoyl-CoA", "trans-Hexadec-2-enoyl-CoA" ] }, { "compound_id": "C05273", "inchi": "InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30?,34-/m1/s1", "name": "trans-Tetradec-2-enoyl-CoA", "names": [ "(2E)-Tetradecenoyl-CoA", "trans-Tetradec-2-enoyl-CoA" ] }, { "compound_id": "C05274", "inchi": "InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26?,30-/m1/s1", "name": "Decanoyl-CoA", "names": [ "Decanoyl-CoA" ] }, { "compound_id": "C05275", "inchi": "InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+/t20-,24-,25-,26?,30-/m1/s1", "name": "trans-Dec-2-enoyl-CoA", "names": [ "(2E)-Decenoyl-CoA", "trans-Dec-2-enoyl-CoA" ] }, { "compound_id": "C05276", "inchi": "InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+/t18-,22-,23-,24?,28-/m1/s1", "name": "trans-Oct-2-enoyl-CoA", "names": [ "(2E)-Octenoyl-CoA", "trans-Oct-2-enoyl-CoA" ] }, { "compound_id": "C05278", "inchi": "InChI=1/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18-,22-,23-,24+,28-/m1/s1/f/h31-32,43-44,46,48H,30H2", "name": "(R)-3-Hydroxycapryloyl-CoA", "names": [ "(R)-3-Hydroxycapryloyl-CoA" ] }, { "compound_id": "C05279", "inchi": "InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,12-13,20-22,26-28,32,43-44H,4-7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,13-12+/t22-,26-,27-,28?,32-/m1/s1", "name": "trans,cis-Lauro-2,6-dienoyl-CoA", "names": [ "trans,cis-Lauro-2,6-dienoyl-CoA" ] }, { "compound_id": "C05280", "inchi": "InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,11-12,20-22,26-28,32,43-44H,4-7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,12-11-/t22-,26-,27-,28?,32-/m1/s1", "name": "cis,cis-3,6-Dodecadienoyl-CoA", "names": [ "cis,cis-3,6-Dodecadienoyl-CoA" ] }, { "compound_id": "C05281", "inchi": "InChI=1S/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10)", "name": "5-Methylbarbiturate", "names": [ "5-Methylbarbiturate", "5-Methylbarbituric acid" ] }, { "compound_id": "C05282", "inchi": "InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1", "name": "(5-L-Glutamyl)-L-glutamate", "names": [ "(5-L-Glutamyl)-L-glutamate" ] }, { "compound_id": "C05283", "inchi": "InChI=1S/C10H17N3O6/c11-5(9(16)17)1-4-8(15)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1", "name": "(5-L-Glutamyl)-L-glutamine", "names": [ "(5-L-Glutamyl)-L-glutamine" ] }, { "compound_id": "C05284", "inchi": "InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1", "name": "11beta-Hydroxyandrost-4-ene-3,17-dione", "names": [ "11beta-Hydroxyandrost-4-ene-3,17-dione", "4-Androsten-11beta-ol-3,17-dione", "Androst-4-ene-3,17-dione-11beta-ol" ] }, { "compound_id": "C05285", "inchi": "InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1", "name": "Adrenosterone", "names": [ "Adrenosterone" ] }, { "compound_id": "C05290", "inchi": "InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1", "name": "19-Hydroxyandrost-4-ene-3,17-dione", "names": [ "19-Hydroxyandrost-4-ene-3,17-dione", "19-Hydroxyandrostenedione" ] }, { "compound_id": "C05291", "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15-,16+,17+,18+,19+/m1/s1", "name": "7alpha-Hydroxytestosterone", "names": [ "7alpha-Hydroxytestosterone" ] }, { "compound_id": "C05293", "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1", "name": "5beta-Dihydrotestosterone", "names": [ "5beta-Dihydrotestosterone" ] }, { "compound_id": "C05294", "inchi": "InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1", "name": "19-Hydroxytestosterone", "names": [ "17beta,19-Dihydroxyandrost-4-en-3-one", "19-Hydroxytestosterone" ] }, { "compound_id": "C05295", "inchi": "InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-17,22H,2-9H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1", "name": "19-Oxotestosterone", "names": [ "19-Oxotestosterone" ] }, { "compound_id": "C05296", "inchi": "InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17-,18-,19-/m0/s1", "name": "7alpha-Hydroxyandrost-4-ene-3,17-dione", "names": [ "7alpha-Hydroxyandrost-4-ene-3,17-dione", "7alpha-Hydroxyandrostenedione" ] }, { "compound_id": "C05297", "inchi": "InChI=1S/C19H24O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-16H,2-9H2,1H3/t14-,15-,16-,18-,19+/m0/s1", "name": "19-Oxoandrost-4-ene-3,17-dione", "names": [ "19-Oxoandrost-4-ene-3,17-dione", "19-Oxoandrostenedione" ] }, { "compound_id": "C05298", "inchi": "InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1", "name": "2-Hydroxyestrone", "names": [ "2-Hydroxyestrone" ] }, { "compound_id": "C05299", "inchi": "InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1", "name": "2-Methoxyestrone", "names": [ "2-Methoxyestrone" ] }, { "compound_id": "C05300", "inchi": "InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18-/m0/s1", "name": "16alpha-Hydroxyestrone", "names": [ "16alpha-Hydroxyestrone" ] }, { "compound_id": "C05301", "inchi": "InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1", "name": "2-Hydroxyestradiol", "names": [ "2-Hydroxyestradiol", "2-Hydroxyestradiol-17beta", "2-OH-Estradiol" ] }, { "compound_id": "C05302", "inchi": "InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1", "name": "2-Methoxyestradiol-17beta", "names": [ "2-Methoxyestradiol-17beta" ] }, { "compound_id": "C05305", "inchi": null, "name": "Ferricytochrome b-561", "names": [ "Ferricytochrome b-561" ] }, { "compound_id": "C05306", "inchi": "InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1", "name": "Chlorophyll a", "names": [ "Chlorophyll a" ] }, { "compound_id": "C05307", "inchi": "InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51?;/m1./s1", "name": "Chlorophyll b", "names": [ "Chlorophyll b" ] }, { "compound_id": "C05308", "inchi": "InChI=1S/C10H20O7P2/c1-5-10(4,8-6-7-9(2)3)16-19(14,15)17-18(11,12)13/h5,7H,1,6,8H2,2-4H3,(H,14,15)(H2,11,12,13)", "name": "Linalyl diphosphate", "names": [ "LPP", "Linalyl diphosphate" ] }, { "compound_id": "C05309", "inchi": null, "name": "Semiquinone", "names": [ "Benzosemiquinone", "Semidione", "Semiquinone", "Semiquinone radical" ] }, { "compound_id": "C05312", "inchi": null, "name": "[Formate C-acetyltransferase]-glycin-2-yl radical", "names": [ "[Formate C-acetyltransferase]-glycin-2-yl radical" ] }, { "compound_id": "C05313", "inchi": "InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/b29-16+,30-18+,31-20+,32-22+,33-24+", "name": "3-Hexaprenyl-4-hydroxy-5-methoxybenzoate", "names": [ "3-Hexaprenyl-4-hydroxy-5-methoxybenzoate" ] }, { "compound_id": "C05314", "inchi": "InChI=1S/C17H19N/c1-18-12-11-15-9-5-6-10-16(15)17(18)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3", "name": "N-Methyl-(R,S)-tetrahydrobenzylisoquinoline", "names": [ "N-Methyl-(R,S)-tetrahydrobenzylisoquinoline", "N-Methyl-(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline" ] }, { "compound_id": "C05315", "inchi": "InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1", "name": "Palmatine", "names": [ "5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium", "Palmatine" ] }, { "compound_id": "C05316", "inchi": "InChI=1S/C22H19NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-7H,8-10H2,1-3H3", "name": "Dihydromacarpine", "names": [ "13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine", "Dihydromacarpine" ] }, { "compound_id": "C05317", "inchi": "InChI=1S/C18H21NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3", "name": "Nororientaline", "names": [ "Nororientaline" ] }, { "compound_id": "C05318", "inchi": "InChI=1S/C18H20N/c1-19-11-10-14-6-4-5-9-17(14)18(19)12-15-7-2-3-8-16(15)13-19/h2-9,18H,10-13H2,1H3/q+1/t18-,19-/m0/s1", "name": "cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine", "names": [ "cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine" ] }, { "compound_id": "C05319", "inchi": null, "name": "[Cytochrome c] S-methylmethionine", "names": [ "[Cytochrome c] S-methyl-L-methionine", "[Cytochrome c] S-methylmethionine" ] }, { "compound_id": "C05320", "inchi": null, "name": "Histone N(omega)-methyl-L-arginine", "names": [ "Histone N(omega)-methyl-L-arginine", "Histone-N(omega)-methylarginine" ] }, { "compound_id": "C05321", "inchi": null, "name": "[Myeline basic protein] N(omega)-methyl-L-arginine", "names": [ "[Myelin basic protein]-N(omega)-methylarginine", "[Myeline basic protein] N(omega)-methyl-L-arginine" ] }, { "compound_id": "C05322", "inchi": "InChI=1S/C21H25NO5/c1-12(23)27-17-10-14-15-9-13-5-6-16(25-3)20(24)19(13)21(14,7-8-22(15)2)11-18(17)26-4/h5-6,10-11,15,17,24H,7-9H2,1-4H3/t15-,17+,21+/m1/s1", "name": "7-O-Acetylsalutaridinol", "names": [ "7-O-Acetylsalutaridinol", "Salutaridinol acetate" ] }, { "compound_id": "C05324", "inchi": "InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1", "name": "Nicotianamine", "names": [ "Nicotianamine" ] }, { "compound_id": "C05325", "inchi": "InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1", "name": "Purine mononucleotide", "names": [ "Purine mononucleotide" ] }, { "compound_id": "C05326", "inchi": null, "name": "Uridylyl-[protein-PII]", "names": [ "P-II-UMP", "Uridylyl-[protein-PII]", "Uridylylated nitrogen regulatory protein P-II" ] }, { "compound_id": "C05328", "inchi": "InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1", "name": "D-2-Amino-hexano-6-lactam", "names": [ "D-2-Amino-hexano-6-lactam" ] }, { "compound_id": "C05329", "inchi": null, "name": "(2R)-2-Methylacyl-CoA", "names": [ "(2R)-2-Methylacyl-CoA" ] }, { "compound_id": "C05330", "inchi": "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)", "name": "Homocysteine", "names": [ "2-Amino-4-mercaptobutyric acid", "Homocysteine" ] }, { "compound_id": "C05332", "inchi": "InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2", "name": "Phenethylamine", "names": [ "2-Phenylethylamine", "Phenethylamine", "Phenylethylamine", "beta-Phenylethylamine" ] }, { "compound_id": "C05334", "inchi": "InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1", "name": "4'-Methoxy-5,7-dihydroxyflavonone", "names": [ "4'-Methoxy-5,7-dihydroxyflavonone", "4'-Methylnaringenin", "Isosakuranetin" ] }, { "compound_id": "C05335", "inchi": "InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1", "name": "L-Selenomethionine", "names": [ "L-Selenomethionine" ] }, { "compound_id": "C05336", "inchi": null, "name": "Selenomethionyl-tRNA(Met)", "names": [ "Selenomethionyl-tRNA(Met)" ] }, { "compound_id": "C05337", "inchi": "InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24-,25+,26-,27-,28+,29+,30-,31-,34+,36-,37-,38?,42-,44+,45-/m1/s1", "name": "Chenodeoxycholoyl-CoA", "names": [ "3alpha,7alpha-Dihydroxy-5beta-cholanoyl-CoA", "Chenodeoxycholoyl-CoA" ] }, { "compound_id": "C05338", "inchi": "InChI=1S/C29H42N7O18P3S/c1-29(2,24(41)27(42)32-8-7-19(38)31-9-10-58-20(39)11-16-3-5-17(37)6-4-16)13-51-57(48,49)54-56(46,47)50-12-18-23(53-55(43,44)45)22(40)28(52-18)36-15-35-21-25(30)33-14-34-26(21)36/h3-6,14-15,18,22-24,28,37,40-41H,7-13H2,1-2H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t18-,22-,23-,24?,28-/m1/s1", "name": "4-Hydroxyphenylacetyl-CoA", "names": [ "4-Hydroxyphenylacetyl-CoA" ] }, { "compound_id": "C05339", "inchi": "InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)", "name": "Phosphinate", "names": [ "Hyopophosphite", "Hypophosphorous acid", "Phosphinate", "Phosphinic acid" ] }, { "compound_id": "C05340", "inchi": "InChI=1S/C9H19N5O3/c10-4-3-7(15)14-6(8(16)17)2-1-5-13-9(11)12/h6H,1-5,10H2,(H,14,15)(H,16,17)(H4,11,12,13)/t6-/m0/s1", "name": "beta-Alanyl-L-arginine", "names": [ "beta-Alanyl-L-arginine" ] }, { "compound_id": "C05341", "inchi": "InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1", "name": "beta-Alanyl-L-lysine", "names": [ "beta-Alanyl-L-lysine" ] }, { "compound_id": "C05342", "inchi": "InChI=1S/C11H15N5O5/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-18)8(20)7(19)5(1-17)21-11/h3-5,7-8,17-20H,1-2H2,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1", "name": "Psicofuranine", "names": [ "Angustmycin C", "Psicofuranine" ] }, { "compound_id": "C05343", "inchi": "InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m1/s1", "name": "(R)-4-Hydroxymandelate", "names": [ "(R)-4-Hydroxymandelate" ] }, { "compound_id": "C05344", "inchi": "InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,8+,9+,10+,11+,14+,15+/m0/s1", "name": "GDP-4-dehydro-6-deoxy-L-mannose", "names": [ "GDP-4-dehydro-6-deoxy-L-mannose", "GDP-4-oxo-6-deoxy-L-mannose", "GDP-4-oxo-L-rhamnose" ] }, { "compound_id": "C05345", "inchi": "InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1", "name": "beta-D-Fructose 6-phosphate", "names": [ "beta-D-Fructose 6-phosphate" ] }, { "compound_id": "C05346", "inchi": "InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21?,22?,23?,24?/m0/s1", "name": "Allosamidine", "names": [ "Allosamidine" ] }, { "compound_id": "C05349", "inchi": "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)", "name": "Ciprofloxacin", "names": [ "Ciprofloxacin" ] }, { "compound_id": "C05350", "inchi": "InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-", "name": "2-Hydroxy-3-(4-hydroxyphenyl)propenoate", "names": [ "2-Hydroxy-3-(4-hydroxyphenyl)propenoate", "4-Hydroxy-enol-phenylpyruvate" ] }, { "compound_id": "C05353", "inchi": "InChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)", "name": "TES", "names": [ "N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid", "TES" ] }, { "compound_id": "C05354", "inchi": "InChI=1S/C4H7/c1-4-2-3-4/h4H,1-3H2/q-1", "name": "Cyclopropylcarbinyl cation", "names": [ "Cyclopropylcarbinyl cation" ] }, { "compound_id": "C05356", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1", "name": "5(S)-HPETE", "names": [ "(5S,6E,8Z,11Z,14Z)-5-Hydroperoxyicosa-6,8,11,14-tetraenoate", "(6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyeicosa-6,8,11,14-tetraenoate", "(6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyeicosa-6,8,11,14-tetraenoic acid", "5(S)-HPETE", "5(S)-Hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid" ] }, { "compound_id": "C05357", "inchi": null, "name": "Oxidized azurin", "names": [ "Azurinox", "Oxidized azurin" ] }, { "compound_id": "C05358", "inchi": null, "name": "Reduced azurin", "names": [ "Azurinred", "Reduced azurin" ] }, { "compound_id": "C05359", "inchi": null, "name": "e-", "names": [ "Electron", "e-" ] }, { "compound_id": "C05360", "inchi": "InChI=1S/H2N2/c1-2/h1-2H", "name": "Diimine", "names": [ "Diimine" ] }, { "compound_id": "C05361", "inchi": "InChI=1S/H4N2/c1-2/h1-2H2", "name": "Hydrazine", "names": [ "Hydrazine" ] }, { "compound_id": "C05364", "inchi": "InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)/b3-1-", "name": "4-Carboxy-2-oxo-3-hexenedioate", "names": [ "4-Carboxy-2-oxo-3-hexenedioate" ] }, { "compound_id": "C05365", "inchi": null, "name": "E-Coniferyl alcohol", "names": [ "E-Coniferyl alcohol" ] }, { "compound_id": "C05366", "inchi": "InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1", "name": "(+)-Pinoresinol", "names": [ "(+)-Pinoresinol" ] }, { "compound_id": "C05370", "inchi": "InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45-,46-,50+/m0/s1", "name": "Calyculin A", "names": [ "Calyculin A" ] }, { "compound_id": "C05371", "inchi": "InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1", "name": "Microcystin-LR", "names": [ "Microcystin-LR" ] }, { "compound_id": "C05372", "inchi": "InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1", "name": "Tautomycin", "names": [ "Tautomycin" ] }, { "compound_id": "C05375", "inchi": "InChI=1S/C7H6O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2,5,8H,(H,9,10)(H,11,12)", "name": "2-Hydroxy-2-hydropyrone-4,6-dicarboxylate", "names": [ "2-Hydroxy-2-hydropyrone-4,6-dicarboxylate" ] }, { "compound_id": "C05376", "inchi": "InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1", "name": "Biochanin A-beta-D-glucoside", "names": [ "Biochanin A 7-O-beta-D-glucoside", "Biochanin A-beta-D-glucoside", "Sissotrin" ] }, { "compound_id": "C05377", "inchi": "InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3", "name": "Menadione", "names": [ "2-Methyl-1,4-naphthoquinone", "Menadione", "Vitamin K3" ] }, { "compound_id": "C05378", "inchi": "InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1", "name": "beta-D-Fructose 1,6-bisphosphate", "names": [ "beta-D-Fructose 1,6-bisphosphate" ] }, { "compound_id": "C05379", "inchi": "InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)", "name": "Oxalosuccinate", "names": [ "Oxalosuccinate", "Oxalosuccinic acid" ] }, { "compound_id": "C05380", "inchi": "InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)", "name": "Nicotinurate", "names": [ "Nicotinurate", "Nicotinuric acid", "Nicotinylglycine" ] }, { "compound_id": "C05381", "inchi": "InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,21H,3-6,8H2,1-2H3,(H5-,17,18,19,22,23,24,25,26,27,28)/p+1", "name": "3-Carboxy-1-hydroxypropyl-ThPP", "names": [ "3-Carboxy-1-hydroxypropyl-ThPP" ] }, { "compound_id": "C05382", "inchi": "InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1", "name": "Sedoheptulose 7-phosphate", "names": [ "D-Sedoheptulose 7-phosphate", "D-altro-Heptulose 7-phosphate", "Sedoheptulose 7-phosphate", "altro-Heptulose 7-phosphate" ] }, { "compound_id": "C05383", "inchi": null, "name": "Aminosugars", "names": [ "Aminosugars" ] }, { "compound_id": "C05385", "inchi": "InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6+/m0/s1", "name": "D-Glucuronate 1-phosphate", "names": [ "1-Phospho-alpha-D-glucuronate", "1-phospho--d-glucuronate", "D-Glucuronate 1-phosphate" ] }, { "compound_id": "C05386", "inchi": "InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7-,8+,9+,10+,11+,14+,15+/m0/s1", "name": "GDP-6-deoxy-L-mannose", "names": [ "GDP-6-deoxy-L-mannose", "GDP-L-rhamnose" ] }, { "compound_id": "C05392", "inchi": "InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4-,5+,6-,7-,8?,11+,12-/m0/s1", "name": "Oligouronide with 4-deoxy-alpha-L-erythro-hex-4-enopyranuronosyl group", "names": [ "Oligouronide with 4-deoxy-alpha-L-erythro-hex-4-enopyranuronosyl group" ] }, { "compound_id": "C05394", "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5-,6-/m1/s1", "name": "3-Keto-beta-D-galactose", "names": [ "3-Keto-beta-D-galactose" ] }, { "compound_id": "C05396", "inchi": "InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5+,6+,7-,8-,9-,10?,11?,12?/m1/s1", "name": "Lactose 6-phosphate", "names": [ "Lactose 6-phosphate" ] }, { "compound_id": "C05399", "inchi": "InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10-,11+,12-/m0/s1", "name": "Melibiitol", "names": [ "6-O-alpha-D-Galactosyl-D-glucitol", "Melibiitol" ] }, { "compound_id": "C05400", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9+,10-,11?,12+/m1/s1", "name": "Epimelibiose", "names": [ "6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose", "Epimelibiose" ] }, { "compound_id": "C05401", "inchi": "InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1", "name": "3-beta-D-Galactosyl-sn-glycerol", "names": [ "3-beta-D-Galactosyl-sn-glycerol", "Galactosylglycerol" ] }, { "compound_id": "C05402", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1", "name": "Melibiose", "names": [ "6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose", "D-Gal-alpha1->6D-Glucose", "Melibiose", "d-melibiose" ] }, { "compound_id": "C05403", "inchi": "InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10?,11?,12?/m1/s1", "name": "3-Ketolactose", "names": [ "3-Ketolactose", "3-oxolactose" ] }, { "compound_id": "C05404", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11+,12+,13-,14-,15-,16?,17+,18+/m1/s1", "name": "D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose", "names": [ "D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose", "D-Gal-alpha1->6D-Gal-alpha1->6D-Glucose", "Manninotriose" ] }, { "compound_id": "C05405", "inchi": "InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3-,4+/m0/s1", "name": "L-Arabinono-1,5-lactone", "names": [ "L-Arabinono-1,5-lactone" ] }, { "compound_id": "C05406", "inchi": "InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h6H,1-2H2,(H,9,10)", "name": "5-Hydroxy-2,4-dioxopentanoate", "names": [ "5-Hydroxy-2,4-dioxopentanoate" ] }, { "compound_id": "C05410", "inchi": "InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m1/s1", "name": "Gulono-1,4-lactone", "names": [ "Gulono-1,4-lactone", "Gulonolactone" ] }, { "compound_id": "C05411", "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m0/s1", "name": "L-Xylonate", "names": [ "L-Xylonate", "L-Xylonic acid" ] }, { "compound_id": "C05412", "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4+/m0/s1", "name": "L-Lyxonate", "names": [ "L-Lyxonate", "L-Lyxonic acid" ] }, { "compound_id": "C05413", "inchi": "InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", "name": "Phytoene", "names": [ "Phytoene" ] }, { "compound_id": "C05414", "inchi": "InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", "name": "all-trans-Phytofluene", "names": [ "all-trans-Phytofluene" ] }, { "compound_id": "C05416", "inchi": "InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1", "name": "5-Cholestene", "names": [ "5-Cholestene", "Cholest-5-ene" ] }, { "compound_id": "C05417", "inchi": "InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24-27(28-24)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1", "name": "5,6beta-Epoxy-5beta-cholestane", "names": [ "5,6beta-Epoxy-5beta-cholestane" ] }, { "compound_id": "C05418", "inchi": "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1", "name": "Cholesterol-5beta,6beta-epoxide", "names": [ "5,6beta-Epoxy-5beta-cholestan-3beta-ol", "5beta,6beta-Epoxycholestan-3beta-ol", "Cholesterol-5beta,6beta-epoxide" ] }, { "compound_id": "C05421", "inchi": "InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", "name": "15-cis-Phytoene", "names": [ "15-cis-Phytoene" ] }, { "compound_id": "C05422", "inchi": "InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1", "name": "Dehydroascorbate", "names": [ "Dehydroascorbate", "Dehydroascorbic acid", "L-Dehydroascorbate", "L-Dehydroascorbic acid" ] }, { "compound_id": "C05423", "inchi": "InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24-27(28-24)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1", "name": "5,6alpha-Epoxy-5alpha-cholestane", "names": [ "5,6alpha-Epoxy-5alpha-cholestane" ] }, { "compound_id": "C05424", "inchi": "InChI=1S/C27H48O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1", "name": "5alpha-Cholestan-5alpha,6beta-diol", "names": [ "5alpha-Cholestan-5alpha,6beta-diol" ] }, { "compound_id": "C05425", "inchi": "InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1", "name": "3beta,5alpha,6beta-Cholestanetriol", "names": [ "3beta,5alpha,6beta-Cholestanetriol", "Cholestane-3beta-5alpha,6beta-triol" ] }, { "compound_id": "C05426", "inchi": null, "name": "RING", "names": [ "RING" ] }, { "compound_id": "C05427", "inchi": "InChI=1S/C20H42O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+/t18-,19-/m1/s1", "name": "Phytyl diphosphate", "names": [ "Phytyl diphosphate" ] }, { "compound_id": "C05430", "inchi": "InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", "name": "all-trans-zeta-Carotene", "names": [ "all-trans-zeta-Carotene" ] }, { "compound_id": "C05431", "inchi": "InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", "name": "all-trans-Neurosporene", "names": [ "all-trans-Neurosporene" ] }, { "compound_id": "C05432", "inchi": "InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", "name": "Lycopene", "names": [ "Lycopene", "all-trans-Lycopene" ] }, { "compound_id": "C05433", "inchi": "InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+", "name": "alpha-Carotene", "names": [ "alpha-Carotene" ] }, { "compound_id": "C05434", "inchi": "InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27,29-30H,13,15,17,21,26,28,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+", "name": "beta-Zeacarotene", "names": [ "beta-Zeacarotene" ] }, { "compound_id": "C05435", "inchi": "InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+", "name": "gamma-Carotene", "names": [ "gamma-Carotene" ] }, { "compound_id": "C05437", "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1", "name": "Zymosterol", "names": [ "(3,5)-cholesta-8,24-diene-3-ol", "5alpha-Cholesta-8,24-dien-3beta-ol", "Zymosterol", "delta8,24-Cholestadien-3beta-ol" ] }, { "compound_id": "C05439", "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25?,26+,27-/m1/s1", "name": "5alpha-Cholesta-7,24-dien-3beta-ol", "names": [ "(3,5)-cholesta-7,24-diene-3-ol", "5alpha-Cholesta-7,24-dien-3beta-ol" ] }, { "compound_id": "C05440", "inchi": "InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18,20,22,24-26,29H,3,11-17H2,1-2,4-6H3/b8-7+/t20-,22+,24?,25?,26?,27+,28-/m1/s1", "name": "Ergosta-5,7,22,24(28)-tetraen-3beta-ol", "names": [ "5,7,22,24(28)-Ergostatetraenol", "Ergosta-5,7,22,24(24(1))-tetraen-3beta-ol", "Ergosta-5,7,22,24(28)-tetraen-3beta-ol" ] }, { "compound_id": "C05441", "inchi": "InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1", "name": "Vitamin D2", "names": [ "Ergocalciferol", "Vitamin D2" ] }, { "compound_id": "C05442", "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1", "name": "Stigmasterol", "names": [ "Stigmasterol" ] }, { "compound_id": "C05443", "inchi": "InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1", "name": "Vitamin D3", "names": [ "Cholecalciferol", "Vitamin D3" ] }, { "compound_id": "C05444", "inchi": "InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1", "name": "3alpha,7alpha,26-Trihydroxy-5beta-cholestane", "names": [ "3alpha,7alpha,26-Trihydroxy-5beta-cholestane", "5beta-Cholestane-3alpha,7alpha,26-triol" ] }, { "compound_id": "C05445", "inchi": "InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1", "name": "3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al", "names": [ "3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al" ] }, { "compound_id": "C05446", "inchi": "InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane", "names": [ "3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane", "5beta-Cholestane-3alpha,7alpha,12alpha,26-tetraol", "5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol" ] }, { "compound_id": "C05447", "inchi": "InChI=1S/C48H78N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h9,24-26,28-34,36,38-40,44,56-57,59-60H,7-8,10-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/b27-9+/t26?,28-,29+,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1", "name": "3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA", "names": [ "3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA" ] }, { "compound_id": "C05448", "inchi": "InChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25?,26?,27-,28+,29?,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1", "name": "3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA", "names": [ "3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA" ] }, { "compound_id": "C05449", "inchi": "InChI=1S/C48H78N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-31,33-34,36,38-40,44,56,58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25?,26?,27-,28+,29?,30?,31?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1", "name": "3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA", "names": [ "3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA" ] }, { "compound_id": "C05450", "inchi": "InChI=1S/C48H80N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-34,36,38-40,44,56-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24?,25?,26-,27+,28?,29?,30?,31?,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1", "name": "3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA", "names": [ "3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA", "3alpha,7alpha,12alpha,24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA" ] }, { "compound_id": "C05451", "inchi": "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-25,29H,6-16H2,1-5H3/t18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1", "name": "7alpha-Hydroxy-5beta-cholestan-3-one", "names": [ "5beta-Cholestan-7alpha-ol-3-one", "7alpha-Hydroxy-5beta-cholestan-3-one" ] }, { "compound_id": "C05452", "inchi": "InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1", "name": "3alpha,7alpha-Dihydroxy-5beta-cholestane", "names": [ "3alpha,7alpha-Dihydroxy-5beta-cholestane", "5beta-Cholestane-3alpha,7alpha-diol" ] }, { "compound_id": "C05453", "inchi": "InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one", "names": [ "5beta-Cholesten-7alpha,12alpha-diol-3-one", "7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one" ] }, { "compound_id": "C05454", "inchi": "InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane", "names": [ "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane", "3alpha,7alpha,12alpha-Trihydroxycoprostane", "5beta-Cholestane-3alpha,7alpha,12alpha-triol" ] }, { "compound_id": "C05455", "inchi": "InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1", "name": "7alpha-Hydroxycholest-4-en-3-one", "names": [ "7alpha-Hydroxycholest-4-en-3-one" ] }, { "compound_id": "C05458", "inchi": "InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one", "names": [ "7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one" ] }, { "compound_id": "C05460", "inchi": "InChI=1S/C48H78N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h9,23-25,27-34,36,38-40,44,56-58,60-61H,7-8,10-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/b26-9+/t25?,27-,28+,29?,30?,31?,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1", "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA", "names": [ "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA" ] }, { "compound_id": "C05463", "inchi": "InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16?,17?,18-,19?,20?,21?,22?,23+,25+,26-/m1/s1", "name": "Taurodeoxycholate", "names": [ "Taurodeoxycholate", "Taurodeoxycholic acid" ] }, { "compound_id": "C05464", "inchi": "InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1", "name": "Glycodeoxycholate", "names": [ "Glycodeoxycholate", "Glycodeoxycholic acid" ] }, { "compound_id": "C05465", "inchi": "InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1", "name": "Taurochenodeoxycholate", "names": [ "Chenodeoxycholoyltaurine", "Taurochenodeoxycholate", "Taurochenodeoxycholic acid" ] }, { "compound_id": "C05466", "inchi": "InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1", "name": "Glycochenodeoxycholate", "names": [ "Chenodeoxyglycocholate", "Glycochenodeoxycholate", "Glycochenodeoxycholic acid" ] }, { "compound_id": "C05467", "inchi": "InChI=1S/C48H78N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-30,32-34,36,38-40,44,56,58-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24?,25?,26-,27+,28?,29-,30-,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1", "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA", "names": [ "3alpha,7alpha,12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA", "3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA" ] }, { "compound_id": "C05468", "inchi": "InChI=1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16?,17?,18?,19-,20?,21?,22?,23-,24+,25?,26?,27?/m1/s1", "name": "5beta-Cyprinolsulfate", "names": [ "5beta-Cyprinolsulfate" ] }, { "compound_id": "C05469", "inchi": "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1", "name": "17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione", "names": [ "17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione", "4,5beta-Dihydrocortisone", "5-Pregnane-17,21-diol-3,11,20-trione", "5-pregnane-17,21-diol-3,11,20-trione", "5beta-Pregnane-17alpha,21-diol-3,11,20-trione" ] }, { "compound_id": "C05470", "inchi": "InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1", "name": "Tetrahydrocortisone", "names": [ "Tetrahydrocortisone", "Urocortisone" ] }, { "compound_id": "C05471", "inchi": "InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1", "name": "11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione", "names": [ "11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione", "5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione" ] }, { "compound_id": "C05472", "inchi": "InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1", "name": "Urocortisol", "names": [ "5beta-Pregnane-3alpha,11beta,17alpha,21-tetrol-20-one", "Tetrahydrocortisol", "Urocortisol" ] }, { "compound_id": "C05473", "inchi": "InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-12,14-17,19,22,25H,2-10H2,1H3", "name": "11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al", "names": [ "11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al" ] }, { "compound_id": "C05474", "inchi": "InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13-,14+,15+,16-,17+,19-,20+,21-/m1/s1", "name": "3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al", "names": [ "3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al" ] }, { "compound_id": "C05475", "inchi": "InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-17,19,22,24H,3-11H2,1-2H3", "name": "11beta,21-Dihydroxy-5beta-pregnane-3,20-dione", "names": [ "11beta,21-Dihydroxy-5beta-pregnane-3,20-dione", "5beta-Pregnane-11beta,21-diol-3,20-dione" ] }, { "compound_id": "C05476", "inchi": "InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1", "name": "Tetrahydrocorticosterone", "names": [ "Tetrahydrocorticosterone" ] }, { "compound_id": "C05477", "inchi": "InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12?,14-,15-,16?,19+,20-,21-/m0/s1", "name": "21-Hydroxy-5beta-pregnane-3,11,20-trione", "names": [ "21-Hydroxy-5beta-pregnane-3,11,20-trione" ] }, { "compound_id": "C05478", "inchi": "InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,19?,20?,21?/m1/s1", "name": "3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione", "names": [ "3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione", "5beta-Pregnane-3alpha,21-diol-11,20-dione" ] }, { "compound_id": "C05479", "inchi": "InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1", "name": "5beta-Pregnane-3,20-dione", "names": [ "5beta-Pregnane-3,20-dione" ] }, { "compound_id": "C05480", "inchi": "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16?,17?,18?,19?,20?,21?/m1/s1", "name": "3alpha-Hydroxy-5beta-pregnane-20-one", "names": [ "3alpha-Hydroxy-5beta-pregnane-20-one" ] }, { "compound_id": "C05481", "inchi": "InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-,19+,20+,21+/m1/s1", "name": "Cortolone", "names": [ "Cortolone" ] }, { "compound_id": "C05482", "inchi": "InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1", "name": "Cortol", "names": [ "Cortol" ] }, { "compound_id": "C05483", "inchi": "InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,18-19,22-23,25H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,18?,19?,20?,21?/m1/s1", "name": "3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one", "names": [ "3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one" ] }, { "compound_id": "C05484", "inchi": "InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1", "name": "Pregnanediol", "names": [ "5beta-Pregnane-3alpha,20alpha-diol", "Diol", "Pregnandiol", "Pregnanediol" ] }, { "compound_id": "C05485", "inchi": "InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14?,15-,16-,17-,18+,20-,21-/m0/s1", "name": "21-Hydroxypregnenolone", "names": [ "21-Hydroxypregnenolone" ] }, { "compound_id": "C05487", "inchi": "InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1", "name": "17alpha,21-Dihydroxypregnenolone", "names": [ "17alpha,21-Dihydroxypregnenolone" ] }, { "compound_id": "C05488", "inchi": "InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1", "name": "11-Deoxycortisol", "names": [ "11-Deoxycortisol", "Cortodoxone" ] }, { "compound_id": "C05489", "inchi": "InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13?,14?,15?,16?,18?,19?,20?,21-/m0/s1", "name": "11beta,17alpha,21-Trihydroxypregnenolone", "names": [ "11beta,17alpha,21-Trihydroxypregnenolone" ] }, { "compound_id": "C05490", "inchi": "InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3", "name": "11-Dehydrocorticosterone", "names": [ "11-Dehydrocorticosterone" ] }, { "compound_id": "C05497", "inchi": "InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17?,18+,19-,20-,21-/m0/s1", "name": "21-Deoxycortisol", "names": [ "11beta,17alpha-Dihydroxyprogesterone", "21-Deoxycortisol", "4-Pregnene-11beta,17alpha-diol-3,20-dione" ] }, { "compound_id": "C05498", "inchi": "InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1", "name": "11beta-Hydroxyprogesterone", "names": [ "11beta-Hydroxyprogesterone" ] }, { "compound_id": "C05499", "inchi": "InChI=1S/C27H46O3/c1-18(2)7-6-13-26(5,29)27(30)16-12-23-21-9-8-19-17-20(28)10-14-24(19,3)22(21)11-15-25(23,27)4/h8,18,20-23,28-30H,6-7,9-17H2,1-5H3/t20-,21+,22-,23-,24-,25-,26-,27+/m0/s1", "name": "17alpha,20alpha-Dihydroxycholesterol", "names": [ "17alpha,20alpha-Dihydroxycholesterol" ] }, { "compound_id": "C05500", "inchi": "InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1", "name": "20alpha-Hydroxycholesterol", "names": [ "20-Hydroxycholesterol", "20alpha-Hydroxycholesterol" ] }, { "compound_id": "C05501", "inchi": "InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1", "name": "20alpha,22beta-Dihydroxycholesterol", "names": [ "(22R)-20alpha,22-Dihydroxycholesterol", "20alpha,22beta-Dihydroxycholesterol" ] }, { "compound_id": "C05502", "inchi": "InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1", "name": "22beta-Hydroxycholesterol", "names": [ "(22R)-22-Hydroxycholesterol", "22beta-Hydroxycholesterol" ] }, { "compound_id": "C05503", "inchi": "InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1", "name": "Estradiol-17beta 3-glucuronide", "names": [ "17beta-Estradiol 3-(beta-D-glucuronide)", "Estradiol-17beta 3-glucuronide" ] }, { "compound_id": "C05504", "inchi": "InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1", "name": "16-Glucuronide-estriol", "names": [ "16-Glucuronide-estriol", "16alpha,17beta-Estriol 16-(beta-D-glucuronide)" ] }, { "compound_id": "C05512", "inchi": "InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1", "name": "Deoxyinosine", "names": [ "2 '-deoxyinosine", "2'-Deoxyinosine", "2'-deoxyinosine", "Deoxyinosine" ] }, { "compound_id": "C05513", "inchi": "InChI=1S/C10H12N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-9(19)12-6)7(18)13-10(14)20/h2,4-5,8,15-17H,1H2,(H2,11,12,19)(H,13,18,20)/t2-,4-,5-,8-/m1/s1", "name": "Urate-3-ribonucleoside", "names": [ "Urate-3-ribonucleoside", "Uric acid ribonucleoside" ] }, { "compound_id": "C05515", "inchi": "InChI=1S/C5H6N4O3/c6-5(12)9-3-2(4(10)11)7-1-8-3/h1H,(H,7,8)(H,10,11)(H3,6,9,12)", "name": "5-Ureido-4-imidazole carboxylate", "names": [ "4-Ureido-5-imidazolecarboxylic acid", "5-Ureido-4-imidazole carboxylate" ] }, { "compound_id": "C05516", "inchi": "InChI=1S/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9)", "name": "5-Amino-4-imidazole carboxylate", "names": [ "4-Amino-5-imidazolecarboxylic acid", "5-Amino-4-imidazole carboxylate" ] }, { "compound_id": "C05519", "inchi": "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1", "name": "L-Allothreonine", "names": [ "L-Allothreonine", "L-allo-Threonine" ] }, { "compound_id": "C05520", "inchi": "InChI=1S/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)", "name": "2-Amino-3-oxoadipate", "names": [ "2-Amino-3-oxoadipate", "2-Amino-3-oxohexanedioic acid" ] }, { "compound_id": "C05524", "inchi": null, "name": "Aminoacyl-L-methionine", "names": [ "Aminoacyl-L-methionine" ] }, { "compound_id": "C05526", "inchi": "InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/t6-,7-,8-/m0/s1", "name": "S-Glutathionyl-L-cysteine", "names": [ "S-Glutathionyl-L-cysteine" ] }, { "compound_id": "C05527", "inchi": "InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)", "name": "3-Sulfinylpyruvate", "names": [ "3-Sulfinopyruvate", "3-Sulfinylpyruvate" ] }, { "compound_id": "C05528", "inchi": "InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)", "name": "3-Sulfopyruvate", "names": [ "3-Sulfopyruvate", "3-Sulfopyruvic acid" ] }, { "compound_id": "C05529", "inchi": "InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)", "name": "Thiosulfuric acid", "names": [ "Thiosulfuric acid" ] }, { "compound_id": "C05533", "inchi": "InChI=1S/C7H8O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3H,1-2H2,(H,8,9)(H,11,12)(H,13,14)", "name": "Oxaloglutarate", "names": [ "Oxaloglutarate" ] }, { "compound_id": "C05535", "inchi": null, "name": "alpha-Aminoadipoyl-S-acyl enzyme", "names": [ "Aminoadip.-S", "alpha-Aminoadipoyl-S-acyl enzyme" ] }, { "compound_id": "C05537", "inchi": "InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)", "name": "N-Succinyl-2-amino-6-oxopimelate", "names": [ "N-Succinyl-2-amino-6-oxopimelate" ] }, { "compound_id": "C05539", "inchi": "InChI=1S/C9H13NO6/c1-5(11)10-6(8(13)14)3-2-4-7(12)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t6-/m0/s1", "name": "N-Acetyl-L-2-amino-6-oxopimelate", "names": [ "L-2-Acetamido-6-oxoheptanedioate", "L-2-Acetamido-6-oxopimelate", "N-Acetyl-L-2-amino-6-oxopimelate" ] }, { "compound_id": "C05544", "inchi": null, "name": "Protein N6-methyl-L-lysine", "names": [ "Protein N6-methyl-L-lysine" ] }, { "compound_id": "C05545", "inchi": null, "name": "Protein N6,N6-dimethyl-L-lysine", "names": [ "Protein N6,N6-dimethyl-L-lysine" ] }, { "compound_id": "C05546", "inchi": null, "name": "Protein N6,N6,N6-trimethyl-L-lysine", "names": [ "Protein N6,N6,N6-trimethyl-L-lysine" ] }, { "compound_id": "C05548", "inchi": "InChI=1S/C8H13NO4/c1-6(10)9-5-3-2-4-7(11)8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)", "name": "6-Acetamido-2-oxohexanoate", "names": [ "2-Oxo-6-acetamidocaproate", "6-Acetamido-2-oxohexanoate" ] }, { "compound_id": "C05551", "inchi": "InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1", "name": "Penicillin G", "names": [ "Benzylpenicillin", "Penicillin G", "penicillin g-" ] }, { "compound_id": "C05552", "inchi": "InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11?,12-,14?/m0/s1", "name": "Biocytin", "names": [ "Biocytin", "N6-D-Biotinyl-L-lysine", "epsilon-N-Biotinyl-L-lysine" ] }, { "compound_id": "C05554", "inchi": "InChI=1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)/t15-,16-/m0/s1", "name": "Aerobactin", "names": [ "Aerobactin" ] }, { "compound_id": "C05556", "inchi": "InChI=1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9?,11+/m0/s1", "name": "delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine", "names": [ "ACV", "L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine", "N-[L-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valine", "delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine" ] }, { "compound_id": "C05557", "inchi": "InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8+,9-,11+/m0/s1", "name": "Isopenicillin N", "names": [ "Isopenicillin N" ] }, { "compound_id": "C05560", "inchi": "InChI=1S/C16H23N6O10P/c17-7(16(26)27)2-1-3-9(23)32-33(28,29)30-4-8-11(24)12(25)15(31-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,28,29)(H2,18,19,20)/t7-,8+,11+,12+,15+/m0/s1", "name": "L-2-Aminoadipate adenylate", "names": [ "5-Adenylyl-2-aminoadipate", "L-2-Aminoadipate adenylate", "alpha-Aminoadipoyl-C6-AMP" ] }, { "compound_id": "C05562", "inchi": "InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)", "name": "1H-Imidazole-4-methanol", "names": [ "1H-Imidazole-4-methanol", "Imidazole-4-methanol" ] }, { "compound_id": "C05565", "inchi": "InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)", "name": "Hydantoin-5-propionate", "names": [ "Hydantoin-5-propionate", "Hydantoin-propionate" ] }, { "compound_id": "C05568", "inchi": "InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)", "name": "Imidazole lactate", "names": [ "2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid", "Imidazole lactate", "Imidazole lactic acid" ] }, { "compound_id": "C05570", "inchi": "InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1", "name": "Ergothioneine", "names": [ "Ergothioneine" ] }, { "compound_id": "C05571", "inchi": "InChI=1S/C6H6N2O2S/c9-5(10)2-1-4-3-7-6(11)8-4/h1-3H,(H,9,10)(H2,7,8,11)/b2-1+", "name": "Thiourocanic acid", "names": [ "Thiourocanic acid" ] }, { "compound_id": "C05572", "inchi": "InChI=1S/C5H7NO4/c6-5(10)3(7)1-2-4(8)9/h1-2H2,(H2,6,10)(H,8,9)", "name": "4-Oxoglutaramate", "names": [ "4-Ketoglutaramate", "4-Oxoglutaramate" ] }, { "compound_id": "C05574", "inchi": "InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)", "name": "Isoglutamate", "names": [ "3-Aminopentanedioic acid", "Isoglutamate", "Isoglutamic acid" ] }, { "compound_id": "C05575", "inchi": "InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/p+1/t8-/m0/s1", "name": "Hercynine", "names": [ "Hercynine", "Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine" ] }, { "compound_id": "C05576", "inchi": "InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2", "name": "3,4-Dihydroxyphenylethyleneglycol", "names": [ "3,4-Dihydroxyphenylethyleneglycol" ] }, { "compound_id": "C05577", "inchi": "InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H", "name": "3,4-Dihydroxymandelaldehyde", "names": [ "3,4-Dihydroxymandelaldehyde", "3,4-Dihydroxyphenylglycolaldehyde" ] }, { "compound_id": "C05578", "inchi": "InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H", "name": "5,6-Dihydroxyindole", "names": [ "5,6-Dihydroxyindole", "DHI" ] }, { "compound_id": "C05579", "inchi": "InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H", "name": "Indole-5,6-quinone", "names": [ "Indole-5,6-quinone" ] }, { "compound_id": "C05580", "inchi": "InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)", "name": "3,4-Dihydroxymandelate", "names": [ "3,4-Dihydroxymandelate", "3,4-Dihydroxymandelic acid", "Dihydroxymandelic acid" ] }, { "compound_id": "C05581", "inchi": "InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3", "name": "3-Methoxy-4-hydroxyphenylacetaldehyde", "names": [ "(4-Hydroxy-3-methoxyphenyl)acetaldehyde", "3-Methoxy-4-hydroxyphenylacetaldehyde", "Homovanillin" ] }, { "compound_id": "C05582", "inchi": "InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)", "name": "Homovanillate", "names": [ "3-Methoxy-4-hydroxyphenylacetate", "Homovanillate", "Homovanillic acid" ] }, { "compound_id": "C05583", "inchi": "InChI=1S/C9H10O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-5,8,11-12H,1H3", "name": "3-Methoxy-4-hydroxyphenylglycolaldehyde", "names": [ "3-Methoxy-4-hydroxyphenylglycolaldehyde" ] }, { "compound_id": "C05584", "inchi": "InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)", "name": "3-Methoxy-4-hydroxymandelate", "names": [ "3-Methoxy-4-hydroxymandelate", "Vanillylmandelic acid" ] }, { "compound_id": "C05585", "inchi": "InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H", "name": "Gentisate aldehyde", "names": [ "2,5-Dihydroxybenzaldehyde", "Gentisate aldehyde" ] }, { "compound_id": "C05587", "inchi": "InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3", "name": "3-Methoxytyramine", "names": [ "3-Methoxytyramine" ] }, { "compound_id": "C05588", "inchi": "InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3/t9-/m0/s1", "name": "L-Metanephrine", "names": [ "L-Metanephrine" ] }, { "compound_id": "C05589", "inchi": "InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m0/s1", "name": "L-Normetanephrine", "names": [ "L-Normetanephrine" ] }, { "compound_id": "C05590", "inchi": "InChI=1S/HI/h1H", "name": "Hydroiodic acid", "names": [ "Hydrogen iodide", "Hydroiodic acid" ] }, { "compound_id": "C05592", "inchi": "InChI=1S/C8H8O6/c9-6(10)2-1-5(3-7(11)12)4-8(13)14/h1-3H,4H2,(H,9,10)(H,11,12)(H,13,14)/b2-1+,5-3-", "name": "3-Carboxymethylmuconate", "names": [ "3-Carboxymethylmuconate" ] }, { "compound_id": "C05593", "inchi": "InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)", "name": "3-Hydroxyphenylacetate", "names": [ "3-Hydroxyphenylacetate", "3-Hydroxyphenylacetic acid" ] }, { "compound_id": "C05594", "inchi": "InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3", "name": "3-Methoxy-4-hydroxyphenylethyleneglycol", "names": [ "3-Methoxy-4-hydroxyphenylethyleneglycol" ] }, { "compound_id": "C05595", "inchi": "InChI=1S/C13H15NO6/c15-9-3-1-8(2-4-9)7-11(16)14-10(13(19)20)5-6-12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)(H,19,20)", "name": "4-Hydroxyphenylacetylglutamic acid", "names": [ "4-Hydroxyphenylacetylglutamate", "4-Hydroxyphenylacetylglutamic acid", "p-Hydroxyphenylacetylglutamate", "p-Hydroxyphenylacetylglutamic acid" ] }, { "compound_id": "C05596", "inchi": "InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)", "name": "p-Hydroxyphenylacetylglycine", "names": [ "4-Hydroxyphenylacetylglycine", "p-Hydroxyphenylacetylglycine" ] }, { "compound_id": "C05598", "inchi": "InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)", "name": "Phenylacetylglycine", "names": [ "Phenylacetylglycine" ] }, { "compound_id": "C05600", "inchi": "InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-3,8H,4H2,(H,9,10)(H,11,12)/b2-1+,5-3-", "name": "2-Hydroxyhepta-2,4-dienedioate", "names": [ "2-Hydroxyhepta-2,4-diene-1,7-dioate", "2-Hydroxyhepta-2,4-dienedioate" ] }, { "compound_id": "C05601", "inchi": "InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)", "name": "4-Hydroxy-2-oxo-heptanedioate", "names": [ "4-Hydroxy-2-ketopimelate", "4-Hydroxy-2-oxo-heptanedioate", "4-Hydroxy-2-oxoheptanedioic acid" ] }, { "compound_id": "C05604", "inchi": "InChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)/t6-/m0/s1", "name": "2-Carboxy-2,3-dihydro-5,6-dihydroxyindole", "names": [ "2-Carboxy-2,3-dihydro-5,6-dihydroxyindole", "Leucodopachrome", "cyclo-Dopa" ] }, { "compound_id": "C05606", "inchi": null, "name": "Melanin", "names": [ "Melanin" ] }, { "compound_id": "C05607", "inchi": "InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1", "name": "Phenyllactate", "names": [ "(R)-Phenyllactate", "Phenyllactate" ] }, { "compound_id": "C05608", "inchi": "InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+", "name": "4-Hydroxycinnamyl aldehyde", "names": [ "4-Hydroxycinnamyl aldehyde", "p-Coumaraldehyde" ] }, { "compound_id": "C05610", "inchi": "InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+", "name": "Sinapoyl aldehyde", "names": [ "Sinapaldehyde", "Sinapoyl aldehyde" ] }, { "compound_id": "C05613", "inchi": "InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2", "name": "Benzylformate", "names": [ "Benzylformate" ] }, { "compound_id": "C05615", "inchi": null, "name": "Lignin", "names": [ "Lignin" ] }, { "compound_id": "C05616", "inchi": "InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)", "name": "3-O-Methylgallate", "names": [ "3-O-Methylgallate", "3-O-Methylgallic acid" ] }, { "compound_id": "C05618", "inchi": "InChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H", "name": "3-Chlorocatechol", "names": [ "3-Chlorocatechol" ] }, { "compound_id": "C05619", "inchi": "InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+", "name": "5-Hydroxyferulate", "names": [ "5-Hydroxyferulate" ] }, { "compound_id": "C05620", "inchi": "InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10,12-13H,1,7H2,(H,14,15)/t10-/m1/s1", "name": "N-Acetyl-D-phenylalanine", "names": [ "N-Acetyl-D-phenylalanine" ] }, { "compound_id": "C05622", "inchi": "InChI=1S/C29H30O17/c30-10-29(40)11-42-28(26(29)39)46-25-24(38)23(37)19(9-41-21(36)8-20(34)35)45-27(25)43-14-5-15(32)22-16(33)7-17(44-18(22)6-14)12-1-3-13(31)4-2-12/h1-7,19,23-28,30-32,37-40H,8-11H2,(H,34,35)/t19-,23-,24+,25?,26+,27-,28?,29-/m1/s1", "name": "Malonylapiin", "names": [ "7-O-[beta-D-apiosyl-(1->2)-(6-malonyl-beta-D-glucoside)]", "Malonylapiin" ] }, { "compound_id": "C05623", "inchi": "InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1", "name": "Quercetin 3-O-glucoside", "names": [ "2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one", "Isoquercitrin", "Isotrifoliin", "Quercetin 3-O-glucoside" ] }, { "compound_id": "C05625", "inchi": "InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1", "name": "Rutin", "names": [ "3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one", "Phytomelin", "Quercetin 3-rutinoside", "Rutin", "Rutoside" ] }, { "compound_id": "C05627", "inchi": "InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2", "name": "4-Hydroxystyrene", "names": [ "4-Hydroxystyrene", "4-Vinylphenol" ] }, { "compound_id": "C05629", "inchi": "InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)", "name": "Phenylpropanoate", "names": [ "3-Phenyl-propionic acid", "3-Phenylpropanoic acid", "3-phenylpropionic acid", "Phenylpropanoate" ] }, { "compound_id": "C05631", "inchi": "InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1", "name": "Eriodictyol", "names": [ "Eriodictyol" ] }, { "compound_id": "C05634", "inchi": "InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2", "name": "5-Hydroxyindoleacetaldehyde", "names": [ "5-Hydroxyindoleacetaldehyde" ] }, { "compound_id": "C05635", "inchi": "InChI=1S/C10H9NO3/c12-8-1-2-9-6(4-8)3-7(11-9)5-10(13)14/h1-4,11-12H,5H2,(H,13,14)", "name": "5-Hydroxyindoleacetate", "names": [ "5-Hydroxyindoleacetate" ] }, { "compound_id": "C05636", "inchi": "InChI=1S/C9H12N2O2/c10-5-4-7(12)6-2-1-3-8(13)9(6)11/h1-3,13H,4-5,10-11H2", "name": "3-Hydroxykynurenamine", "names": [ "3-Hydroxykynurenamine" ] }, { "compound_id": "C05637", "inchi": "InChI=1S/C9H7NO2/c11-7-4-5-10-9-6(7)2-1-3-8(9)12/h1-5,12H,(H,10,11)", "name": "4,8-Dihydroxyquinoline", "names": [ "4,8-Dihydroxyquinoline", "Quinoline-4,8-diol" ] }, { "compound_id": "C05638", "inchi": "InChI=1S/C9H12N2O2/c10-4-3-9(13)7-5-6(12)1-2-8(7)11/h1-2,5,12H,3-4,10-11H2", "name": "5-Hydroxykynurenamine", "names": [ "5-Hydroxykynurenamine" ] }, { "compound_id": "C05639", "inchi": "InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12)", "name": "4,6-Dihydroxyquinoline", "names": [ "4,6-Dihydroxyquinoline", "Quinoline-4,6-diol" ] }, { "compound_id": "C05640", "inchi": "InChI=1S/C14H8N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4H,15H2,(H,18,19)(H,20,21)", "name": "Cinnavalininate", "names": [ "Cinnabarinic acid", "Cinnavalininate" ] }, { "compound_id": "C05641", "inchi": "InChI=1S/C10H7NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h1-3H,(H,15,16)(H,17,18)(H2,11,13,14)/b2-1-", "name": "5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate", "names": [ "5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate", "5-(3-Carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylate" ] }, { "compound_id": "C05642", "inchi": "InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)", "name": "Formyl-N-acetyl-5-methoxykynurenamine", "names": [ "Formyl-N-acetyl-5-methoxykynurenamine" ] }, { "compound_id": "C05643", "inchi": "InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)", "name": "6-Hydroxymelatonin", "names": [ "6-Hydroxymelatonin" ] }, { "compound_id": "C05644", "inchi": "InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3,(H,15,16)", "name": "3-Methylindolepyruvate", "names": [ "3-Methylindolepyruvate" ] }, { "compound_id": "C05645", "inchi": "InChI=1S/C10H9NO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-3,12H,4,11H2,(H,15,16)", "name": "4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate", "names": [ "4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate" ] }, { "compound_id": "C05646", "inchi": "InChI=1S/C11H9NO4/c13-7-1-2-9-8(4-7)6(5-12-9)3-10(14)11(15)16/h1-2,4-5,12-13H,3H2,(H,15,16)", "name": "5-Hydroxyindolepyruvate", "names": [ "5-Hydroxyindolepyruvate" ] }, { "compound_id": "C05647", "inchi": "InChI=1S/C10H12N2O3/c11-4-3-10(15)8-5-7(14)1-2-9(8)12-6-13/h1-2,5-6,14H,3-4,11H2,(H,12,13)", "name": "Formyl-5-hydroxykynurenamine", "names": [ "Formyl-5-hydroxykynurenamine" ] }, { "compound_id": "C05648", "inchi": "InChI=1S/C11H12N2O5/c12-8(11(17)18)4-10(16)7-3-6(15)1-2-9(7)13-5-14/h1-3,5,8,15H,4,12H2,(H,13,14)(H,17,18)/t8-/m0/s1", "name": "5-Hydroxy-N-formylkynurenine", "names": [ "5-Hydroxy-N-formyl-L-kynurenine", "5-Hydroxy-N-formylkynurenine" ] }, { "compound_id": "C05649", "inchi": "InChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4H,1-2H2", "name": "Dihydropteridine", "names": [ "6,7-Dihydropteridine", "Dihydropteridine" ] }, { "compound_id": "C05650", "inchi": "InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)", "name": "Tetrahydropteridine", "names": [ "5,6,7,8-Tetrahydropteridine", "Tetrahydropteridine" ] }, { "compound_id": "C05651", "inchi": "InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)/t8-/m0/s1", "name": "5-Hydroxykynurenine", "names": [ "5-Hydroxy-L-kynurenine", "5-Hydroxykynurenine" ] }, { "compound_id": "C05652", "inchi": "InChI=1S/C10H9NO5/c11-7-2-1-5(12)3-6(7)8(13)4-9(14)10(15)16/h1-3,12H,4,11H2,(H,15,16)", "name": "4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate", "names": [ "4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate" ] }, { "compound_id": "C05653", "inchi": "InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)", "name": "Formylanthranilate", "names": [ "2-(Formylamino)-benzoic acid", "Formylanthranilate", "N-Formylanthranilate" ] }, { "compound_id": "C05654", "inchi": "InChI=1S/C9H9NO5/c11-3-1-2-5-7(12)4-6(9(14)15)10-8(5)13/h3-4H,1-2H2,(H,14,15)(H2,10,12,13)", "name": "5-(2'-Formylethyl)-4,6-dihydroxypicolinate", "names": [ "5-(2'-Formylethyl)-4,6-dihydroxypicolinate", "5-(beta-Formylethyl)-4,6-dihydroxypicolinate" ] }, { "compound_id": "C05655", "inchi": "InChI=1S/C9H9NO6/c11-6-3-5(9(15)16)10-8(14)4(6)1-2-7(12)13/h3H,1-2H2,(H,12,13)(H,15,16)(H2,10,11,14)", "name": "5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate", "names": [ "5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate", "5-(beta-Carboxyethyl)-4,6-dihydroxypicolinate" ] }, { "compound_id": "C05656", "inchi": "InChI=1S/C10H9NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h3H,1-2H2,(H,15,16)(H,17,18)(H2,11,13,14)", "name": "5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate", "names": [ "5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate", "5-(gamma-Carboxy-gamma-oxopropyl)-4,6-dihydroxypicolinate" ] }, { "compound_id": "C05657", "inchi": "InChI=1S/C11H11NO4/c13-7-1-2-8-6(3-10(14)11(15)16)5-12-9(8)4-7/h1-2,4-5,10,12-14H,3H2,(H,15,16)", "name": "6-Hydroxyindolelactate", "names": [ "6-Hydroxyindolelactate" ] }, { "compound_id": "C05658", "inchi": "InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H", "name": "Indoxyl", "names": [ "1H-Indol-3-ol", "Indoxyl" ] }, { "compound_id": "C05659", "inchi": "InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3", "name": "5-Methoxytryptamine", "names": [ "5-MeOT", "5-Methoxytryptamine" ] }, { "compound_id": "C05660", "inchi": "InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)", "name": "5-Methoxyindoleacetate", "names": [ "5-Methoxyindoleacetate", "5-Methoxyindoleacetic acid" ] }, { "compound_id": "C05662", "inchi": "InChI=1S/C7H10O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3,5,10H,1-2H2,(H,8,9)(H,11,12)(H,13,14)/t3-,5+/m0/s1", "name": "Homoisocitrate", "names": [ "(-)-1-Hydroxy-1,2,4-butanetricarboxylate", "(1R,2S)-1-Hydroxybutane-1,2,4-tricarboxylate", "3-Carboxy-2-hydroxyadipate", "Homoisocitrate" ] }, { "compound_id": "C05663", "inchi": "InChI=1S/C10H7NO4/c12-5-1-2-7-6(3-5)9(13)4-8(11-7)10(14)15/h1-4,12H,(H,11,13)(H,14,15)", "name": "6-Hydroxykynurenate", "names": [ "4,6-Dihydroxyquinaldic acid", "6-Hydroxykynurenate", "6-Hydroxykynurenic acid" ] }, { "compound_id": "C05665", "inchi": "InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2", "name": "3-Aminopropanal", "names": [ "3-Aminopropanal", "3-aminopropionaldehyde", "beta-Aminopropion aldehyde" ] }, { "compound_id": "C05668", "inchi": "InChI=1S/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1", "name": "3-Hydroxypropionyl-CoA", "names": [ "3-Hydroxypropanoyl coenzymeA", "3-Hydroxypropanoyl-CoA", "3-Hydroxypropionyl coenzyme A", "3-Hydroxypropionyl-CoA", "beta-Hydroxypropionyl-CoA" ] }, { "compound_id": "C05669", "inchi": "InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)", "name": "beta-Nitropropanoate", "names": [ "3-Nitropropanoate", "3-Nitropropionic acid", "beta-Nitropropanoate", "beta-Nitropropanoic acid", "beta-Nitropropionic acid" ] }, { "compound_id": "C05670", "inchi": "InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2", "name": "3-Aminopropiononitrile", "names": [ "3-Aminopropiononitrile", "beta-Aminopropionitrile" ] }, { "compound_id": "C05672", "inchi": "InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)", "name": "2-Amino-3-phosphonopropanoate", "names": [ "2-Amino-3-phosphonopropanoate", "Phosphonoalanine" ] }, { "compound_id": "C05673", "inchi": "InChI=1S/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1", "name": "CMP-2-aminoethylphosphonate", "names": [ "CMP-2-aminoethylphosphonate", "CMPciliatine" ] }, { "compound_id": "C05674", "inchi": "InChI=1/C14H26N4O10P2/c1-18(2,3)6-7-29(22,23)28-30(24,25)26-8-9-11(19)12(20)13(27-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p+1/t9-,11-,12-,13-/m1/s1/fC14H27N4O10P2/h22,24H,15H2/q+1", "name": "CMP-N-trimethyl-2-aminoethylphosphonate", "names": [ "CMP-N-trimethyl-2-aminoethylphosphonate" ] }, { "compound_id": "C05675", "inchi": null, "name": "Diacylglyceryl-2-aminoethylphosphonate", "names": [ "Diacylglyceryl-2-aminoethylphosphonate" ] }, { "compound_id": "C05676", "inchi": null, "name": "Diacylglyceryl-N-trimethyl-2-aminoethylphosphonate", "names": [ "Diacylglyceryl-2-trimethylaminoethylphosphonate", "Diacylglyceryl-N-trimethyl-2-aminoethylphosphonate" ] }, { "compound_id": "C05677", "inchi": null, "name": "Lipophosphonoglycan", "names": [ "Lipophosphonoglycan" ] }, { "compound_id": "C05678", "inchi": "InChI=1S/C2H8NO4P/c3-1-2(4)8(5,6)7/h2,4H,1,3H2,(H2,5,6,7)", "name": "1-Hydroxy-2-aminoethylphosphonate", "names": [ "1-Hydroxy-2-aminoethylphosphonate" ] }, { "compound_id": "C05679", "inchi": "InChI=1S/C3H10NO3P/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)", "name": "N-Monomethyl-2-aminoethylphosphonate", "names": [ "2-Methylaminoethylphosphonate", "N-Monomethyl-2-aminoethylphosphonate" ] }, { "compound_id": "C05680", "inchi": "InChI=1S/C4H12NO3P/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)", "name": "N-Dimethyl-2-aminoethylphosphonate", "names": [ "2-Dimethylaminoethylphosphonate", "N-Dimethyl-2-aminoethylphosphonate" ] }, { "compound_id": "C05681", "inchi": null, "name": "Ceramide 2-aminoethylphosphonate", "names": [ "Ceramide 2-aminoethylphosphonate", "Ceramide ciliatine" ] }, { "compound_id": "C05682", "inchi": "InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)", "name": "Phosphonoacetate", "names": [ "Fosfonet", "Phosphonoacetate", "Phosphonoacetic acid" ] }, { "compound_id": "C05683", "inchi": "InChI=1S/C26H46NO7P/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H2,32,33,34)/t15-,16+,17-,18-,19+,20+,21?,22+,24+,25+,26-/m1/s1", "name": "2-Aminoethylphosphocholate", "names": [ "2-Aminoethylphosphocholate" ] }, { "compound_id": "C05684", "inchi": "InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2", "name": "Selenite", "names": [ "Selenite" ] }, { "compound_id": "C05686", "inchi": "InChI=1S/C10H14N5O10PSe/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1", "name": "Adenylylselenate", "names": [ "Adenosine-5'-phosphoselenate", "Adenylylselenate" ] }, { "compound_id": "C05688", "inchi": "InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1", "name": "L-Selenocysteine", "names": [ "L-Selenocysteine" ] }, { "compound_id": "C05689", "inchi": "InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1", "name": "Se-Methyl-L-selenocysteine", "names": [ "Se-Methyl-L-selenocysteine" ] }, { "compound_id": "C05690", "inchi": "InChI=1S/C6H13NO2Se/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1", "name": "Se-Methylselenomethionine", "names": [ "Se-Methylselenomethionine" ] }, { "compound_id": "C05691", "inchi": "InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27-/m0/s1", "name": "Se-Adenosylselenomethionine", "names": [ "Se-Adenosylselenomethionine" ] }, { "compound_id": "C05692", "inchi": "InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10?,13-/m0/s1", "name": "Se-Adenosyl-L-selenohomocysteine", "names": [ "Se-Adenosyl-L-selenohomocysteine", "Se-Adenosylselenohomocysteine" ] }, { "compound_id": "C05693", "inchi": null, "name": "R", "names": [ "Methyl group acceptor", "R" ] }, { "compound_id": "C05694", "inchi": null, "name": "CH3-R", "names": [ "CH3-R", "Methyl-acceptor" ] }, { "compound_id": "C05695", "inchi": "InChI=1S/C9H16N2O5Se/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6?/m0/s1", "name": "gamma-Glutamyl-Se-methylselenocysteine", "names": [ "5-L-Glutamyl-Se-methylselenocysteine", "gamma-Glutamyl-Se-methylselenocysteine" ] }, { "compound_id": "C05696", "inchi": "InChI=1S/C10H15N5O13P2Se/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1", "name": "3'-Phosphoadenylylselenate", "names": [ "3'-Phosphoadenosine-5'-phosphoselenate", "3'-Phosphoadenylylselenate" ] }, { "compound_id": "C05697", "inchi": "InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)", "name": "Selenate", "names": [ "Selenate", "Selenic acid" ] }, { "compound_id": "C05698", "inchi": "InChI=1S/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1", "name": "Selenohomocysteine", "names": [ "Selenohomocysteine" ] }, { "compound_id": "C05699", "inchi": "InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1", "name": "L-Selenocystathionine", "names": [ "L-Selenocystathionine" ] }, { "compound_id": "C05702", "inchi": "InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)", "name": "O-Phosphorylhomoserine", "names": [ "O-Phosphorylhomoserine" ] }, { "compound_id": "C05703", "inchi": "InChI=1S/CH4Se/c1-2/h2H,1H3", "name": "Methaneselenol", "names": [ "Methaneselenol", "Methylselenol" ] }, { "compound_id": "C05704", "inchi": "InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1", "name": "Selenocystine", "names": [ "Selenocystine" ] }, { "compound_id": "C05705", "inchi": "InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1", "name": "Selenocysteine seleninic acid", "names": [ "3-Seleninoalanine", "Selenocysteine seleninate", "Selenocysteine seleninic acid" ] }, { "compound_id": "C05706", "inchi": "InChI=1S/C6H11NO3Se/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-,11?/m0/s1", "name": "Se-Propenylselenocysteine Se-oxide", "names": [ "Se-Propenylselenocysteine Se-oxide" ] }, { "compound_id": "C05707", "inchi": "InChI=1S/C8H16N2O4Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1", "name": "Selenohomocystine", "names": [ "Selenohomocystine" ] }, { "compound_id": "C05708", "inchi": "InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1", "name": "Selenomethionine Se-oxide", "names": [ "Selenomethionine Se-oxide" ] }, { "compound_id": "C05710", "inchi": null, "name": "N-Hydroxy-amino acid", "names": [ "N-Hydroxy-L-amino acid", "N-Hydroxy-amino acid" ] }, { "compound_id": "C05711", "inchi": "InChI=1S/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1", "name": "gamma-Glutamyl-beta-cyanoalanine", "names": [ "gamma-Glutamyl-beta-cyanoalanine" ] }, { "compound_id": "C05712", "inchi": null, "name": "Cyanohydrin", "names": [ "Cyanohydrin" ] }, { "compound_id": "C05713", "inchi": null, "name": "Cyanoglycoside", "names": [ "Cyanoglucoside", "Cyanoglycoside" ] }, { "compound_id": "C05714", "inchi": "InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3", "name": "alpha-Aminopropiononitrile", "names": [ "alpha-Aminopropiononitrile" ] }, { "compound_id": "C05715", "inchi": "InChI=1S/C5H8N2O2/c6-3-4(7)1-2-5(8)9/h4H,1-2,7H2,(H,8,9)", "name": "gamma-Amino-gamma-cyanobutanoate", "names": [ "4-Amino-4-cyanobutanoic acid", "gamma-Amino-gamma-cyanobutanoate" ] }, { "compound_id": "C05717", "inchi": "InChI=1S/C5H8N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)", "name": "alpha-Amino-gamma-cyanobutanoate", "names": [ "2-Amino-4-cyanobutanoic acid", "alpha-Amino-gamma-cyanobutanoate" ] }, { "compound_id": "C05718", "inchi": null, "name": "2-Oxoacid oxime", "names": [ "2-Oxoacid oxime" ] }, { "compound_id": "C05720", "inchi": "InChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H", "name": "Reduced 2,6-Dichlorophenolindophenol", "names": [ "2,6-Dichloro-4-[(4-hydroxyphenyl)amino]-phenol", "Reduced 2,6-Dichlorophenolindophenol" ] }, { "compound_id": "C05721", "inchi": "InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3", "name": "Leucomethylene blue", "names": [ "Leucomethylene blue", "Reduced methylene blue" ] }, { "compound_id": "C05723", "inchi": null, "name": "Poly-gamma-D-glutamate", "names": [ "Poly-gamma-D-glutamate" ] }, { "compound_id": "C05726", "inchi": null, "name": "S-Substituted L-cysteine", "names": [ "R-S-Cysteine", "S-Substituted L-cysteine" ] }, { "compound_id": "C05727", "inchi": null, "name": "S-Substituted N-acetyl-L-cysteine", "names": [ "Mercapturic acid", "S-Substituted N-acetyl-L-cysteine" ] }, { "compound_id": "C05729", "inchi": null, "name": "R-S-Cysteinylglycine", "names": [ "R-S-Cysteinylglycine" ] }, { "compound_id": "C05730", "inchi": "InChI=1S/C17H34N6O5S/c18-6-1-2-7-20-8-3-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t12-,13-/m0/s1", "name": "Glutathionylspermidine", "names": [ "Glutathionylspermidine", "N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine" ] }, { "compound_id": "C05731", "inchi": "InChI=1S/C12H20O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-7,9-11,13-17,19-20H,1-3H2/t4-,5-,6-,7-,9-,10+,11-,12+/m1/s1", "name": "3-Ketosucrose", "names": [ "3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside", "3-Ketosucrose" ] }, { "compound_id": "C05737", "inchi": null, "name": "Maltose 6-phosphate", "names": [ "Maltose 6-phosphate" ] }, { "compound_id": "C05744", "inchi": null, "name": "Acetoacetyl-[acp]", "names": [ "Acetoacetyl-[acp]", "Acetoacetyl-[acyl-carrier protein]" ] }, { "compound_id": "C05745", "inchi": null, "name": "Butyryl-[acp]", "names": [ "Butyryl-[acp]", "Butyryl-[acyl-carrier protein]" ] }, { "compound_id": "C05746", "inchi": null, "name": "3-Oxohexanoyl-[acp]", "names": [ "3-Oxohexanoyl-[acp]", "3-Oxohexanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05747", "inchi": null, "name": "(R)-3-Hydroxyhexanoyl-[acp]", "names": [ "(R)-3-Hydroxyhexanoyl-[acp]", "(R)-3-Hydroxyhexanoyl-[acyl-carrier protein]", "D-3-Hydroxyhexanoyl-[acp]", "D-3-Hydroxyhexanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05748", "inchi": null, "name": "trans-Hex-2-enoyl-[acp]", "names": [ "(2E)-Hexenoyl-[acp]", "trans-Hex-2-enoyl-[acp]", "trans-Hex-2-enoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05749", "inchi": null, "name": "Hexanoyl-[acp]", "names": [ "Hexanoyl-[acp]", "Hexanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05750", "inchi": null, "name": "3-Oxooctanoyl-[acp]", "names": [ "3-Oxooctanoyl-[acp]", "3-Oxooctanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05751", "inchi": null, "name": "trans-Oct-2-enoyl-[acp]", "names": [ "(2E)-Octenoyl-[acp]", "2-Octenoyl-[acyl-carrier protein]", "Oct-2-enoyl-[acyl-carrier protein]", "trans-Oct-2-enoyl-[acp]", "trans-Oct-2-enoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05752", "inchi": null, "name": "Octanoyl-[acp]", "names": [ "Octanoyl-[acp]", "Octanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05753", "inchi": null, "name": "3-Oxodecanoyl-[acp]", "names": [ "3-Oxodecanoyl-[acp]", "3-Oxodecanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05754", "inchi": null, "name": "trans-Dec-2-enoyl-[acp]", "names": [ "(2E)-Decenoyl-[acp]", "trans-2-Decenoyl-[acyl-carrier protein]", "trans-Dec-2-enoyl-[acp]", "trans-Dec-2-enoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05755", "inchi": null, "name": "Decanoyl-[acp]", "names": [ "Decanoyl-[acp]", "Decanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05756", "inchi": null, "name": "3-Oxododecanoyl-[acp]", "names": [ "3-Oxododecanoyl-[acp]", "3-Oxododecanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05757", "inchi": null, "name": "(R)-3-Hydroxydodecanoyl-[acp]", "names": [ "(R)-3-Hydroxydodecanoyl-[acp]", "(R)-3-Hydroxydodecanoyl-[acyl-carrier protein]", "D-3-Hydroxydodecanoyl-[acp]", "D-3-Hydroxydodecanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05758", "inchi": null, "name": "trans-Dodec-2-enoyl-[acp]", "names": [ "(2E)-Dodecenoyl-[acp]", "trans-Dodec-2-enoyl-[acp]", "trans-Dodec-2-enoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05759", "inchi": null, "name": "3-Oxotetradecanoyl-[acp]", "names": [ "3-Oxotetradecanoyl-[acp]", "3-Oxotetradecanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05760", "inchi": null, "name": "trans-Tetradec-2-enoyl-[acp]", "names": [ "(2E)-Tetradecenoyl-[acp]", "trans-Tetradec-2-enoyl-[acp]", "trans-Tetradec-2-enoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05761", "inchi": null, "name": "Tetradecanoyl-[acp]", "names": [ "Myristoyl-[acyl-carrier protein]", "Tetradecanoyl-[acp]", "Tetradecanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05762", "inchi": null, "name": "3-Oxohexadecanoyl-[acp]", "names": [ "3-Oxohexadecanoyl-[acp]", "3-Oxohexadecanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05763", "inchi": null, "name": "trans-Hexadec-2-enoyl-[acp]", "names": [ "(2E)-Hexadecenoyl-[acp]", "trans-Hexadec-2-enoyl-[acp]", "trans-Hexadec-2-enoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05764", "inchi": null, "name": "Hexadecanoyl-[acp]", "names": [ "Hexadecanoyl-[acp]", "Hexadecanoyl-[acyl-carrier protein]" ] }, { "compound_id": "C05765", "inchi": "InChI=1S/C5H10NO7P/c6-3(1-2-4(7)8)5(9)13-14(10,11)12/h3H,1-2,6H2,(H,7,8)(H2,10,11,12)/t3-/m0/s1", "name": "L-Glutamyl 1-phosphate", "names": [ "L-Glutamyl 1-phosphate", "alpha-L-Glutamyl phosphate" ] }, { "compound_id": "C05766", "inchi": "InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)", "name": "Uroporphyrinogen I", "names": [ "Uroporphyrinogen I" ] }, { "compound_id": "C05767", "inchi": "InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-", "name": "Uroporphyrin I", "names": [ "Uroporphyrin I" ] }, { "compound_id": "C05768", "inchi": "InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)", "name": "Coproporphyrinogen I", "names": [ "Coproporphyrinogen I" ] }, { "compound_id": "C05769", "inchi": "InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-", "name": "Coproporphyrin I", "names": [ "Coproporphyrin I" ] }, { "compound_id": "C05770", "inchi": "InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-", "name": "Coproporphyrin III", "names": [ "Coproporphyrin III" ] }, { "compound_id": "C05771", "inchi": "InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3", "name": "1-Aminopropan-2-ol", "names": [ "1-Amino-2-propanol", "1-Aminopropan-2-ol" ] }, { "compound_id": "C05772", "inchi": "InChI=1S/C43H50N4O16/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30/h15-16,24-25,44,46-47H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b29-15-,30-16-,41-19-/t24-,25-,42+,43+/m1/s1", "name": "Precorrin 3A", "names": [ "Precorrin 3A" ] }, { "compound_id": "C05773", "inchi": "InChI=1S/C45H60N4O14.Co/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1", "name": "Cobyrinate", "names": [ "Cob(II)yrinate", "Cob(II)yrinic acid", "Cobyrinate", "Cobyrinic acid" ] }, { "compound_id": "C05774", "inchi": "InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+1/p-1/t23-,26-,27-,28-,29+,43?,45-,46+,47+,48+;/m1./s1", "name": "Cobinamide", "names": [ "Cob(I)inamide", "Cobinamide" ] }, { "compound_id": "C05775", "inchi": "InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12-,13-,14+/m1/s1", "name": "alpha-Ribazole", "names": [ "N1-(alpha-D-Ribosyl)-5,6-dimethylbenzimidazole", "alpha-Ribazole" ] }, { "compound_id": "C05776", "inchi": null, "name": "Vitamin B12", "names": [ "Cob(III)alamin", "Cobalamin (III)", "Vitamin B12" ] }, { "compound_id": "C05777", "inchi": "InChI=1S/C42H52N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27;/h13,18-23,25,27H,3-12,14-17H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);/q;+2/p-1/t18-,19-,20-,21-,22+,23+,25+,27-,40-,41-,42-;/m0./s1", "name": "Coenzyme F430", "names": [ "Coenzyme F430", "Factor F430" ] }, { "compound_id": "C05778", "inchi": "InChI=1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b25-13-,29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1", "name": "Sirohydrochlorin", "names": [ "Sirohydrochlorin" ] }, { "compound_id": "C05779", "inchi": null, "name": "Apoferritin", "names": [ "Apoferritin" ] }, { "compound_id": "C05780", "inchi": null, "name": "Apotransferrin", "names": [ "Apotransferrin" ] }, { "compound_id": "C05781", "inchi": null, "name": "Oxyhemoglobin", "names": [ "Oxyhemoglobin" ] }, { "compound_id": "C05782", "inchi": null, "name": "Myoglobin", "names": [ "Myoglobin" ] }, { "compound_id": "C05783", "inchi": null, "name": "Cytochrome a", "names": [ "Cytochrome a" ] }, { "compound_id": "C05784", "inchi": null, "name": "Catalase", "names": [ "Catalase" ] }, { "compound_id": "C05785", "inchi": null, "name": "Peroxidase", "names": [ "Peroxidase" ] }, { "compound_id": "C05786", "inchi": "InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,19,35H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,26-13-,27-14-,28-15-/t19-/m1/s1", "name": "(3Z)-Phycocyanobilin", "names": [ "(3Z)-Phycocyanobilin" ] }, { "compound_id": "C05787", "inchi": "InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/b26-13-,27-14-/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1", "name": "Bilirubin beta-diglucuronide", "names": [ "Bilirubin beta-diglucuronide", "Bilirubin-bisglucuronoside" ] }, { "compound_id": "C05789", "inchi": "InChI=1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)", "name": "L-Urobilinogen", "names": [ "L-Stercobilinogen", "L-Urobilinogen", "Stercobilinogen" ] }, { "compound_id": "C05790", "inchi": "InChI=1S/C33H44N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)", "name": "I-Urobilinogen", "names": [ "I-Urobilinogen", "Mesobilirubinogen", "Urobilinogen" ] }, { "compound_id": "C05791", "inchi": "InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,26-27,34-35H,2,7,9-15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)", "name": "D-Urobilinogen", "names": [ "D-Urobilinogen" ] }, { "compound_id": "C05793", "inchi": "InChI=1S/C33H46N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15-16,19-21,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15+", "name": "L-Urobilin", "names": [ "L-Stercobilin", "L-Urobilin", "Stercobilin" ] }, { "compound_id": "C05794", "inchi": "InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15+", "name": "Urobilin", "names": [ "I-Urobilin", "Urobilin" ] }, { "compound_id": "C05795", "inchi": "InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,15,26-27,35H,2,7,9-14H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15+", "name": "D-Urobilin", "names": [ "D-Urobilin" ] }, { "compound_id": "C05796", "inchi": null, "name": "Galactan", "names": [ "Galactan" ] }, { "compound_id": "C05797", "inchi": "InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1", "name": "Pheophytin a", "names": [ "Pheophytin a" ] }, { "compound_id": "C05798", "inchi": "InChI=1/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1", "name": "Bacteriopheophytin", "names": [ "Bacteriopheophytin" ] }, { "compound_id": "C05799", "inchi": null, "name": "Bacterio-chlorophylls", "names": [ "Bacterio-chlorophylls" ] }, { "compound_id": "C05800", "inchi": "InChI=1S/C36H54O/c1-29(2)15-10-16-30(3)17-11-18-31(4)19-12-20-32(5)21-13-22-33(6)23-14-24-34(7)27-28-35-25-8-9-26-36(35)37/h8-9,15,17,19,21,23,25-27,37H,10-14,16,18,20,22,24,28H2,1-7H3/b30-17+,31-19+,32-21+,33-23+,34-27+", "name": "2-Hexaprenylphenol", "names": [ "2-Hexaprenylphenol" ] }, { "compound_id": "C05801", "inchi": "InChI=1/C36H54O2/c1-28(2)14-8-15-29(3)16-9-17-30(4)18-10-19-31(5)20-11-21-32(6)22-12-23-33(7)26-27-34-24-13-25-35(37)36(34)38/h13-14,16,18,20,22,24-26,37-38H,8-12,15,17,19,21,23,27H2,1-7H3/b29-16+,30-18+,31-20+,32-22+,33-26+", "name": "2-Hexaprenyl-6-hydroxyphenol", "names": [ "2-Hexaprenyl-6-hydroxyphenol" ] }, { "compound_id": "C05802", "inchi": "InChI=1S/C37H56O2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)27-28-35-25-14-26-36(39-8)37(35)38/h14-15,17,19,21,23,25-27,38H,9-13,16,18,20,22,24,28H2,1-8H3/b30-17+,31-19+,32-21+,33-23+,34-27+", "name": "2-Hexaprenyl-6-methoxyphenol", "names": [ "2-Hexaprenyl-6-methoxyphenol" ] }, { "compound_id": "C05803", "inchi": "InChI=1S/C37H54O3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38)27-36(40-8)37(34)39/h14,16,18,20,22,24,26-27H,9-13,15,17,19,21,23,25H2,1-8H3/b29-16+,30-18+,31-20+,32-22+,33-24+", "name": "2-Hexaprenyl-6-methoxy-1,4-benzoquinone", "names": [ "2-Hexaprenyl-6-methoxy-1,4-benzoquinone" ] }, { "compound_id": "C05804", "inchi": "InChI=1S/C38H56O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+", "name": "2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone", "names": [ "2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone" ] }, { "compound_id": "C05805", "inchi": "InChI=1S/C38H56O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,41H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17+,29-19+,30-21+,31-23+,32-25+", "name": "2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone", "names": [ "2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone" ] }, { "compound_id": "C05807", "inchi": "InChI=1S/C16H22O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h4-5,7,9-11,17H,6,8,12H2,1-3H3/b14-11+", "name": "2-Polyprenylphenol", "names": [ "2-Polyprenylphenol" ] }, { "compound_id": "C05808", "inchi": "InChI=1S/C16H22O2/c1-12(2)5-4-6-13(3)7-8-14-9-10-15(17)11-16(14)18/h5,7,9-11,17-18H,4,6,8H2,1-3H3/b13-7+", "name": "5-Hydroxy-2-polyprenylphenol", "names": [ "5-Hydroxy-2-polyprenylphenol" ] }, { "compound_id": "C05809", "inchi": "InChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+", "name": "3-Octaprenyl-4-hydroxybenzoate", "names": [ "3-Octaprenyl-4-hydroxybenzoate", "4-Hydroxy-3-octaprenylbenzoate" ] }, { "compound_id": "C05810", "inchi": "InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+", "name": "2-Octaprenylphenol", "names": [ "2-Octaprenylphenol" ] }, { "compound_id": "C05811", "inchi": "InChI=1S/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-34+", "name": "2-Octaprenyl-6-hydroxyphenol", "names": [ "2-Octaprenyl-6-hydroxyphenol", "3-Octaprenylcatechol" ] }, { "compound_id": "C05812", "inchi": "InChI=1S/C47H72O2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)35-36-45-33-18-34-46(49-10)47(45)48/h18-19,21,23,25,27,29,31,33-35,48H,11-17,20,22,24,26,28,30,32,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+", "name": "2-Octaprenyl-6-methoxyphenol", "names": [ "2-Octaprenyl-6-methoxyphenol" ] }, { "compound_id": "C05813", "inchi": "InChI=1S/C47H70O3/c1-36(2)18-11-19-37(3)20-12-21-38(4)22-13-23-39(5)24-14-25-40(6)26-15-27-41(7)28-16-29-42(8)30-17-31-43(9)32-33-44-34-45(48)35-46(50-10)47(44)49/h18,20,22,24,26,28,30,32,34-35H,11-17,19,21,23,25,27,29,31,33H2,1-10H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-32+", "name": "2-Octaprenyl-6-methoxy-1,4-benzoquinone", "names": [ "2-Octaprenyl-6-methoxy-1,4-benzoquinone" ] }, { "compound_id": "C05814", "inchi": "InChI=1S/C48H72O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+", "name": "2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone", "names": [ "2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone" ] }, { "compound_id": "C05815", "inchi": "InChI=1S/C48H72O4/c1-35(2)19-12-20-36(3)21-13-22-37(4)23-14-24-38(5)25-15-26-39(6)27-16-28-40(7)29-17-30-41(8)31-18-32-42(9)33-34-44-43(10)45(49)47(51)48(52-11)46(44)50/h19,21,23,25,27,29,31,33,51H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+", "name": "2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone", "names": [ "2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone" ] }, { "compound_id": "C05817", "inchi": "InChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/t8-,10-/m1/s1", "name": "(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate", "names": [ "(1R,6R)-2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate", "(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate", "SHCHC" ] }, { "compound_id": "C05818", "inchi": "InChI=1S/C20H22O2/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20(16)22/h4-5,7,9-11,13H,6,8,12H2,1-3H3/b15-11+", "name": "2-Demethylmenaquinone", "names": [ "2-Demethylmenaquinone" ] }, { "compound_id": "C05819", "inchi": "InChI=1S/C21H26O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12,22-23H,7,9,13H2,1-4H3/b15-12+", "name": "Menaquinol", "names": [ "Menaquinol", "Reduced menaquinone", "Reduced vitamin K2", "Vitamin K2 hydroquinone" ] }, { "compound_id": "C05820", "inchi": "InChI=1S/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)/t5-,6-,8-,9-,12-/m1/s1", "name": "(L-Seryl)adenylate", "names": [ "(L-Seryl)adenylate", "L-Seryl-adenylate" ] }, { "compound_id": "C05821", "inchi": "InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1", "name": "Enterochelin", "names": [ "Enterobactin", "Enterochelin", "Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester", "Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester" ] }, { "compound_id": "C05822", "inchi": "InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", "name": "3'-CMP", "names": [ "3'-CMP", "Cytidine 3'-phosphate" ] }, { "compound_id": "C05823", "inchi": "InChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)/t2-/m0/s1", "name": "3-Mercaptolactate", "names": [ "(R)-3-Mercaptolactate", "3-Mercaptolactate", "L-3-Mercaptolactate" ] }, { "compound_id": "C05824", "inchi": "InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1", "name": "S-Sulfo-L-cysteine", "names": [ "S-Sulfo-L-cysteine" ] }, { "compound_id": "C05825", "inchi": "InChI=1S/C6H11NO3/c1-4(8)2-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)", "name": "2-Amino-5-oxohexanoate", "names": [ "2-Amino-5-oxohexanoate" ] }, { "compound_id": "C05827", "inchi": "InChI=1S/C6H8N2O/c1-8-4-6(2-3-9)7-5-8/h3-5H,2H2,1H3", "name": "Methylimidazole acetaldehyde", "names": [ "1-Methylimidazole-4-acetaldehyde", "Methylimidazole acetaldehyde", "Methylimidazoleacetaldehyde" ] }, { "compound_id": "C05828", "inchi": "InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)", "name": "Methylimidazoleacetic acid", "names": [ "1-Methyl-4-imidazoleacetic acid", "1-Methylimidazole-4-acetate", "Methylimidazoleacetate", "Methylimidazoleacetic acid", "Tele-methylimidazoleacetic acid" ] }, { "compound_id": "C05829", "inchi": "InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1", "name": "N-Carbamyl-L-glutamate", "names": [ "N-Carbamyl-L-glutamate" ] }, { "compound_id": "C05830", "inchi": "InChI=1S/C11H9NO4/c1-16-9-4-2-3-6-8(13)5-7(11(14)15)12-10(6)9/h2-5H,1H3,(H,12,13)(H,14,15)", "name": "8-Methoxykynurenate", "names": [ "8-Methoxykynurenate", "Xanthurenic acid 8-methyl ether" ] }, { "compound_id": "C05831", "inchi": "InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)", "name": "3-Methoxyanthranilate", "names": [ "3-Methoxyanthranilate", "3-Methoxyanthranilic acid" ] }, { "compound_id": "C05832", "inchi": "InChI=1/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)/f/h14,17H", "name": "5-Hydroxyindoleacetylglycine", "names": [ "5-Hydroxyindoleacetylglycine" ] }, { "compound_id": "C05834", "inchi": "InChI=1S/C9H9NO2/c1-9(12)6-4-2-3-5-7(6)10-8(9)11/h2-5,12H,1H3,(H,10,11)", "name": "3-Methyldioxyindole", "names": [ "3-Hydroxy-3-methyloxindole", "3-Methyldioxyindole" ] }, { "compound_id": "C05835", "inchi": "InChI=1S/C10H9NO4/c12-6-11-8-4-2-1-3-7(8)9(13)5-10(14)15/h1-4,6H,5H2,(H,11,12)(H,14,15)", "name": "2-Formaminobenzoylacetate", "names": [ "2-Formaminobenzoylacetate" ] }, { "compound_id": "C05837", "inchi": "InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/t11-,13-,14+,15-,16+/m1/s1", "name": "Glucobrassicin", "names": [ "Glucobrassicin", "Indolylmethyl glucosinolate" ] }, { "compound_id": "C05838", "inchi": "InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5-", "name": "cis-2-Hydroxycinnamate", "names": [ "2-Coumarinate", "cis-2-Hydroxycinnamate" ] }, { "compound_id": "C05839", "inchi": "InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5-/t10-,12-,13+,14-,15-/m1/s1", "name": "cis-beta-D-Glucosyl-2-hydroxycinnamate", "names": [ "beta-D-Glucosyl-2-coumarinate", "cis-beta-D-Glucosyl-2-hydroxycinnamate" ] }, { "compound_id": "C05840", "inchi": "InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)", "name": "Iminoaspartate", "names": [ "Iminoaspartate", "Iminoaspartic acid", "Iminosuccinate" ] }, { "compound_id": "C05841", "inchi": "InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1/t7-,8-,9-,10-/m1/s1", "name": "Nicotinate D-ribonucleoside", "names": [ "Nicotinate D-ribonucleoside" ] }, { "compound_id": "C05842", "inchi": "InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)", "name": "N1-Methyl-2-pyridone-5-carboxamide", "names": [ "1-Methyl-5-carboxylamide-2-pyridone", "N'-Methyl-2-pyridone-5-carboxamide", "N1-Methyl-2-pyridone-5-carboxamide" ] }, { "compound_id": "C05843", "inchi": "InChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)", "name": "N1-Methyl-4-pyridone-5-carboxamide", "names": [ "1-Methyl-4-pyridone-3-carboximide", "N'-Methyl-4-pyridone-5-carboxamide", "N1-Methyl-4-pyridone-5-carboxamide" ] }, { "compound_id": "C05844", "inchi": "InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1", "name": "5-L-Glutamyl-taurine", "names": [ "5-Glutamyl-taurine", "5-L-Glutamyl-taurine", "Glutaurine" ] }, { "compound_id": "C05845", "inchi": "InChI=1S/C54H87NO12P2/c1-38(2)15-14-16-39(3)17-18-40(4)19-20-41(5)21-22-42(6)23-24-43(7)25-26-44(8)27-28-45(9)29-30-46(10)31-32-47(11)33-34-48(12)35-36-64-68(60,61)67-69(62,63)66-54-51(55-49(13)57)53(59)52(58)50(37-56)65-54/h15,17,19,21,23,25,27,29,31,33,35,50-54,56,58-59H,14,16,18,20,22,24,26,28,30,32,34,36-37H2,1-13H3,(H,55,57)(H,60,61)(H,62,63)/b39-17+,40-19-,41-21-,42-23-,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-/t50-,51-,52+,53-,54-/m1/s1", "name": "N-Acetyl-D-galactosaminyldiphosphoundecaprenol", "names": [ "N-Acetyl-D-galactosaminyldiphosphoundecaprenol" ] }, { "compound_id": "C05847", "inchi": "InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+", "name": "all-trans-Polyprenyl diphosphate", "names": [ "Polyisopentenyldiphosphate", "Polyisopentenylpyrophosphate", "Polyprenyl diphosphate", "all-trans-Polyprenyl diphosphate", "trans-Polyisopentenyldiphosphate" ] }, { "compound_id": "C05848", "inchi": "InChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/b13-7+", "name": "4-Hydroxy-3-polyprenylbenzoate", "names": [ "4-Hydroxy-3-polyprenylbenzoate" ] }, { "compound_id": "C05849", "inchi": "InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+", "name": "Vitamin K1 epoxide", "names": [ "(2,3-Epoxyphytyl)menaquinone", "1a,7a-Dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-naphth[2,3-b]oxirene-2,7-dione", "2,3-Epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone", "2,3-Epoxyphylloquinone", "Phylloquinone epoxide", "Phylloquinone oxide", "Phylloquinone-2,3-epoxide", "Vitamin K1 2,3-epoxide", "Vitamin K1 epoxide", "Vitamin K1 oxide" ] }, { "compound_id": "C05850", "inchi": null, "name": "Reduced Vitamin K", "names": [ "Reduced Vitamin K", "Vitamin K hydroquinone" ] }, { "compound_id": "C05851", "inchi": "InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H", "name": "Coumarin", "names": [ "1,2-Benzopyrone", "2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone", "2H-1-Benzopyran-2-one", "5,6-Benzo-2-pyrone", "Benzo-alpha-pyrone", "Coumarin", "Coumarine", "Coumarinic anhydride", "Cumarin", "Rattex", "Tonka bean camphor", "cis-o-Coumarinic acid lactone", "o-Hydroxycinnamic acid lactone" ] }, { "compound_id": "C05852", "inchi": "InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)", "name": "2-Hydroxyphenylacetate", "names": [ "2-Hydroxyphenylacetate", "2-Hydroxyphenylacetic acid" ] }, { "compound_id": "C05853", "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2", "name": "Phenylethyl alcohol", "names": [ "2-Phenylethanol", "Phenethyl alcohol", "Phenylethyl alcohol" ] }, { "compound_id": "C05855", "inchi": "InChI=1S/C15H20O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h1-6,11-20H,7-8H2/b2-1+/t11-,12-,13+,14-,15-/m1/s1", "name": "4-Hydroxycinnamyl alcohol 4-D-glucoside", "names": [ "4-Hydroxycinnamyl alcohol 4-D-glucoside", "p-Coumaryl alcohol 4-O-glucoside" ] }, { "compound_id": "C05856", "inchi": "InChI=1S/C12H15N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)/q+1", "name": "Thiamine aldehyde", "names": [ "Thiamin aldehyde", "Thiamine aldehyde" ] }, { "compound_id": "C05859", "inchi": "InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17-,25-19-", "name": "Dehydrodolichol diphosphate", "names": [ "Dehydrodolichol diphosphate", "Dehydrodolichyl diphosphate", "ditrans,polycis-polyprenyl diphosphate" ] }, { "compound_id": "C05860", "inchi": "InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/b27-15+,28-17+,29-19-/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43?,44?,45?,46-,47?/m1/s1", "name": "beta-D-Mannosyldiacetylchitobiosyldiphosphodolichol", "names": [ "Man-beta1->4GlcNAc-beta1->4GlcNAc-PP-Dol", "beta-1,4-D-Mannosylchitobiosyldiphosphodolichol", "beta-D-Mannosyldiacetylchitobiosyldiphosphodolichol" ] }, { "compound_id": "C05861", "inchi": "InChI=1S/C53H92N2O27P2/c1-27(2)13-9-14-28(3)15-10-16-29(4)17-11-18-30(5)19-12-20-31(6)21-22-73-83(69,70)82-84(71,72)81-51-39(55-33(8)61)43(65)47(37(26-59)77-51)78-50-38(54-32(7)60)42(64)48(36(25-58)76-50)79-53-46(68)49(41(63)35(24-57)75-53)80-52-45(67)44(66)40(62)34(23-56)74-52/h13,15,17,19,31,34-53,56-59,62-68H,9-12,14,16,18,20-26H2,1-8H3,(H,54,60)(H,55,61)(H,69,70)(H,71,72)/b28-15+,29-17+,30-19-/t31?,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47?,48?,49?,50?,51-,52?,53?/m1/s1", "name": "alpha-D-Mannosyl-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol", "names": [ "Man-alpha1->3Man-beta1->4GlcNAc-beta1->4GlcNAc-PP-Dol", "alpha-1,3-D-Mannosyl-beta-1,4-D-mannosylchitobiosyldiphosphodolichol", "alpha-D-Mannosyl-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" ] }, { "compound_id": "C05864", "inchi": "InChI=1S/C71H122N2O42P2/c1-30(2)13-9-14-31(3)15-10-16-32(4)17-11-18-33(5)19-12-20-34(6)21-22-101-116(96,97)115-117(98,99)114-66-45(73-36(8)81)52(88)60(42(28-79)107-66)109-65-44(72-35(7)80)51(87)61(41(27-78)106-65)110-69-59(95)62(50(86)43(108-69)29-100-67-57(93)53(89)46(82)37(23-74)102-67)111-70-64(56(92)49(85)39(25-76)104-70)113-71-63(55(91)48(84)40(26-77)105-71)112-68-58(94)54(90)47(83)38(24-75)103-68/h13,15,17,19,34,37-71,74-79,82-95H,9-12,14,16,18,20-29H2,1-8H3,(H,72,80)(H,73,81)(H,96,97)(H,98,99)/b31-15+,32-17+,33-19-/t34?,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60?,61?,62?,63?,64?,65?,66-,67+,68?,69?,70?,71?/m1/s1", "name": "(alpha-D-Mannosyl)4-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol", "names": [ "(alpha-D-Mannosyl)4-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" ] }, { "compound_id": "C05868", "inchi": "InChI=1S/C95H162N2O62P2/c1-34(2)13-9-14-35(3)15-10-16-36(4)17-11-18-37(5)19-12-20-38(6)21-22-138-160(132,133)159-161(134,135)158-86-53(97-40(8)108)64(119)77(49(31-106)147-86)150-85-52(96-39(7)107)63(118)78(48(30-105)146-85)151-91-76(131)80(153-94-84(71(126)60(115)46(28-103)144-94)157-95-83(70(125)59(114)47(29-104)145-95)156-90-74(129)67(122)56(111)43(25-100)141-90)62(117)51(149-91)32-136-87-75(130)79(152-93-82(69(124)58(113)45(27-102)143-93)155-89-73(128)66(121)55(110)42(24-99)140-89)61(116)50(148-87)33-137-92-81(68(123)57(112)44(26-101)142-92)154-88-72(127)65(120)54(109)41(23-98)139-88/h13,15,17,19,38,41-95,98-106,109-131H,9-12,14,16,18,20-33H2,1-8H3,(H,96,107)(H,97,108)(H,132,133)(H,134,135)/b35-15+,36-17+,37-19-/t38?,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77?,78?,79?,80?,81?,82?,83?,84?,85?,86-,87+,88?,89?,90?,91?,92+,93?,94?,95?/m1/s1", "name": "(alpha-D-Mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol", "names": [ "(alpha-D-Mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" ] }, { "compound_id": "C05869", "inchi": null, "name": "(alpha-D-Mannosyl)9-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol", "names": [ "(alpha-D-Mannosyl)9-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" ] }, { "compound_id": "C05892", "inchi": "InChI=1S/C34H55N7O24P2/c1-14(28(49)39-18(32(53)54)7-8-21(44)38-17(31(51)52)6-4-5-10-35)36-29(50)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)47)64-67(58,59)65-66(56,57)60-13-20-24(46)26(48)30(62-20)41-11-9-22(45)40-34(41)55/h9,11,14-15,17-20,23-27,30,33,42,46-48H,4-8,10,12-13,35H2,1-3H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H,40,45,55)/t14-,15+,17-,18+,19+,20+,23+,24+,25+,26+,27+,30+,33+/m0/s1", "name": "UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine", "names": [ "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine", "UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine" ] }, { "compound_id": "C05893", "inchi": "InChI=1S/C94H156N8O26P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-122-129(118,119)128-130(120,121)127-94-82(100-75(18)106)86(85(79(58-104)125-94)126-93-81(99-74(17)105)84(109)83(108)78(57-103)124-93)123-73(16)89(112)96-71(14)88(111)102-77(92(116)117)52-53-80(107)101-76(51-19-20-55-95)90(113)97-70(13)87(110)98-72(15)91(114)115/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,103-104,108-109H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H,96,112)(H,97,113)(H,98,110)(H,99,105)(H,100,106)(H,101,107)(H,102,111)(H,114,115)(H,116,117)(H,118,119)(H,120,121)/b60-33+,61-35+,62-37-,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-54-/t70-,71+,72-,73-,76+,77-,78-,79-,81-,82-,83-,84-,85?,86-,93?,94-/m1/s1", "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine", "names": [ "GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol", "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine" ] }, { "compound_id": "C05894", "inchi": "InChI=1S/C94H157N9O25P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-122-129(118,119)128-130(120,121)127-94-82(101-75(18)107)86(85(79(58-105)125-94)126-93-81(100-74(17)106)84(110)83(109)78(57-104)124-93)123-73(16)90(114)97-71(14)89(113)103-76(87(96)111)52-53-80(108)102-77(51-19-20-55-95)91(115)98-70(13)88(112)99-72(15)92(116)117/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,104-105,109-110H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H2,96,111)(H,97,114)(H,98,115)(H,99,112)(H,100,106)(H,101,107)(H,102,108)(H,103,113)(H,116,117)(H,118,119)(H,120,121)/b60-33+,61-35+,62-37-,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-54-/t70-,71+,72-,73-,76-,77+,78-,79-,81-,82-,83-,84-,85?,86-,93?,94-/m1/s1", "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine", "names": [ "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine" ] }, { "compound_id": "C05895", "inchi": "InChI=1S/C104H172N14O30P2/c1-64(2)31-21-32-65(3)33-22-34-66(4)35-23-36-67(5)37-24-38-68(6)39-25-40-69(7)41-26-42-70(8)43-27-44-71(9)45-28-46-72(10)47-29-48-73(11)49-30-50-74(12)54-56-142-149(138,139)148-150(140,141)147-104-92(116-80(18)122)96(95(84(63-120)145-104)146-103-91(115-79(17)121)94(130)93(129)83(62-119)144-103)143-78(16)100(134)112-76(14)99(133)118-81(97(106)131)52-53-85(123)117-82(101(135)113-75(13)98(132)114-77(15)102(136)137)51-19-20-55-107-87(125)58-109-89(127)60-111-90(128)61-110-88(126)59-108-86(124)57-105/h31,33,35,37,39,41,43,45,47,49,54,75-78,81-84,91-96,103-104,119-120,129-130H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-63,105H2,1-18H3,(H2,106,131)(H,107,125)(H,108,124)(H,109,127)(H,110,126)(H,111,128)(H,112,134)(H,113,135)(H,114,132)(H,115,121)(H,116,122)(H,117,123)(H,118,133)(H,136,137)(H,138,139)(H,140,141)/b65-33+,66-35+,67-37-,68-39-,69-41-,70-43-,71-45-,72-47-,73-49-,74-54-/t75-,76+,77-,78-,81-,82+,83-,84-,91-,92-,93-,94-,95?,96-,103?,104-/m1/s1", "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine", "names": [ "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine" ] }, { "compound_id": "C05896", "inchi": null, "name": "Crosslinked peptideglycan", "names": [ "Crosslinked peptideglycan" ] }, { "compound_id": "C05897", "inchi": "InChI=1S/C87H143N7O23P2/c1-56(2)29-18-30-57(3)31-19-32-58(4)33-20-34-59(5)35-21-36-60(6)37-22-38-61(7)39-23-40-62(8)41-24-42-63(9)43-25-44-64(10)45-26-46-65(11)47-27-48-66(12)53-54-113-118(109,110)117-119(111,112)116-87-77(92-71(17)96)79(78(98)75(55-95)115-87)114-70(16)82(101)89-68(14)81(100)94-74(86(107)108)51-52-76(97)93-73(50-28-49-72(88)85(105)106)83(102)90-67(13)80(99)91-69(15)84(103)104/h29,31,33,35,37,39,41,43,45,47,53,67-70,72-75,77-79,87,95,98H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-55,88H2,1-17H3,(H,89,101)(H,90,102)(H,91,99)(H,92,96)(H,93,97)(H,94,100)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)/b57-31+,58-33+,59-35-,60-37-,61-39-,62-41-,63-43-,64-45-,65-47-,66-53-/t67-,68+,69-,70-,72-,73+,74-,75-,77-,78-,79-,87-/m1/s1", "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine", "names": [ "Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine" ] }, { "compound_id": "C05898", "inchi": "InChI=1S/C95H156N8O28P2/c1-58(2)30-19-31-59(3)32-20-33-60(4)34-21-35-61(5)36-22-37-62(6)38-23-39-63(7)40-24-41-64(8)42-25-43-65(9)44-26-45-66(10)46-27-47-67(11)48-28-49-68(12)54-55-125-132(121,122)131-133(123,124)130-95-82(101-74(18)107)86(85(79(57-105)128-95)129-94-81(100-73(17)106)84(110)83(109)78(56-104)127-94)126-72(16)89(113)97-70(14)88(112)103-77(93(119)120)52-53-80(108)102-76(51-29-50-75(96)92(117)118)90(114)98-69(13)87(111)99-71(15)91(115)116/h30,32,34,36,38,40,42,44,46,48,54,69-72,75-79,81-86,94-95,104-105,109-110H,19-29,31,33,35,37,39,41,43,45,47,49-53,55-57,96H2,1-18H3,(H,97,113)(H,98,114)(H,99,111)(H,100,106)(H,101,107)(H,102,108)(H,103,112)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/b59-32+,60-34+,61-36-,62-38-,63-40-,64-42-,65-44-,66-46-,67-48-,68-54-/t69-,70+,71-,72-,75-,76+,77-,78-,79-,81-,82-,83-,84-,85?,86-,94?,95-/m1/s1", "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine", "names": [ "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine" ] }, { "compound_id": "C05901", "inchi": "InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+", "name": "3,3',4'5-Tetrahydroxystilbene", "names": [ "3,3',4'5-Tetrahydroxystilbene", "Piceatannol" ] }, { "compound_id": "C05902", "inchi": "InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3", "name": "3-Methoxyapigenin", "names": [ "3-Methoxyapigenin", "3-O-Methylkaempferol" ] }, { "compound_id": "C05903", "inchi": "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H", "name": "Kaempferol", "names": [ "3,4',5,7-Tetrahydroxyflavone", "4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol", "C.I. 75640", "Indigo yellow", "Kaempferol", "Kaempherol", "Kempferol", "Nimbecetin", "Pelargidenolon", "Populnetin", "Rhamnolutein", "Rhamnolutin", "Robigenin", "Swartziol", "Trifolitin" ] }, { "compound_id": "C05904", "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1", "name": "Pelargonidin", "names": [ "3,4',5,7-Tetrahydroxyflavylium chloride", "3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride", "Pelargonidin", "Pelargonidin chloride", "Pelargonidol chloride" ] }, { "compound_id": "C05905", "inchi": "InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1", "name": "Cyanidin", "names": [ "2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride", "3,3',4',5,7-Pentahydroxy-2-phenylbenzopyrylium chloride", "3,3',4',5,7-Pentahydroxyflavylium chloride", "3,3',4',5,7-Pentahydroxyflavyliumchlorid", "Chlorure de 3,3',4',5,7-pentahydroxyflavylium", "Cyanidin", "Cyanidin chloride", "Cyanidine", "Cyanidol", "Cyanidol chloride", "IdB 1027" ] }, { "compound_id": "C05906", "inchi": "InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15+/m0/s1", "name": "Leucocyanidin", "names": [ "2,3-trans-3,4-cis-Leucocyanidin", "2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol", "3,3',4,4',5,7-Flavanhexol", "3,4-Cyanidiol", "Leucoanthocyanidol", "Leucocianidol", "Leucocyanidin", "Leucocyanidol", "Leukocyanidine", "Procyanidol", "Resivit" ] }, { "compound_id": "C05907", "inchi": "InChI=1S/C15H14O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,12-13,16-20H,6H2/t12?,13-/m0/s1", "name": "Luteoforol", "names": [ "3-Deoxyleucocyanidin", "Luteoforol" ] }, { "compound_id": "C05908", "inchi": "InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1", "name": "Delphinidin", "names": [ "3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride", "3,3',4',5,5',7-Hexahydroxyflavylium chloride", "3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride", "3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyryliumchlorid", "Chlorure de 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium", "Delfinidol chloride", "Delphinidin", "Delphinidin chloride", "Delphinidine", "Delphinidol", "Ephdine", "IdB 1056" ] }, { "compound_id": "C05909", "inchi": "InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14-,15+/m0/s1", "name": "Leucodelphinidin", "names": [ "Leucodelphinidin" ] }, { "compound_id": "C05911", "inchi": "InChI=1S/C15H12O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-4,12,16-17,19-21H,5H2/t12-/m0/s1", "name": "Pentahydroxyflavanone", "names": [ "Dihydrotricetin", "Pentahydroxyflavanone" ] }, { "compound_id": "C05912", "inchi": "InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,19,26,35H,2,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,27-14-,28-15-/t19-,26-/m1/s1", "name": "(3Z)-Phycoerythrobilin", "names": [ "(3Z)-Phycoerythrobilin" ] }, { "compound_id": "C05913", "inchi": "InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,26-13-,27-14-,28-15-/t19-/m1/s1", "name": "(3Z)-Phytochromobilin", "names": [ "(3Z)-Phytochromobilin" ] }, { "compound_id": "C05914", "inchi": null, "name": "Bathorhodopsin", "names": [ "Bathorhodopsin" ] }, { "compound_id": "C05915", "inchi": null, "name": "Lumirhodopsin", "names": [ "Lumirhodopsin" ] }, { "compound_id": "C05916", "inchi": null, "name": "Metarhodopsin", "names": [ "Metarhodopsin" ] }, { "compound_id": "C05917", "inchi": null, "name": "Iodopsin", "names": [ "Iodopsin" ] }, { "compound_id": "C05918", "inchi": "InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+", "name": "all-trans-Dehydroretinal", "names": [ "(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4,6,8-nonatetraenal", "3,4-Didehydroretinal", "3-Dehydroretinal", "3-Dehydroretinaldehyde", "Dehydroretinal", "Dehydroretinaldehyd", "Dehydroretinaldehyde", "Retinene 2", "Vitamin A2 aldehyde", "all-trans-3,4-Dehydroretinal", "all-trans-3-Dehydroretinal", "all-trans-Dehydroretinal", "alpha-Retinene", "trans-3-Dehydroretinal" ] }, { "compound_id": "C05919", "inchi": "InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+", "name": "11-cis-Dehydroretinal", "names": [ "11-cis-Dehydroretinal" ] }, { "compound_id": "C05920", "inchi": null, "name": "Porphyropsin", "names": [ "Porphyropsin" ] }, { "compound_id": "C05921", "inchi": "InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9-,10+,11-,13-,15+,16+,19+/m0/s1", "name": "Biotinyl-5'-AMP", "names": [ "Biotinyl-5'-AMP" ] }, { "compound_id": "C05922", "inchi": "InChI=1S/C10H18N5O15P3/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(28-9)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H,23,24)(H,25,26)(H2,20,21,22)(H4,11,13,14,15,19)/t3-,5-,6-,9-/m1/s1", "name": "Formamidopyrimidine nucleoside triphosphate", "names": [ "((2r,3s,4r,5r)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate", "Formamidopyrimidine nucleoside triphosphate" ] }, { "compound_id": "C05923", "inchi": "InChI=1S/C9H18N5O14P3/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(26-8)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,4-5,8,15-16H,1,10H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,11,12,13,14,17)/t2-,4-,5-,8-/m1/s1", "name": "2,5-Diaminopyrimidine nucleoside triphosphate", "names": [ "2,5-Diaminopyrimidine nucleoside triphosphate" ] }, { "compound_id": "C05924", "inchi": "InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1", "name": "Molybdopterin", "names": [ "H2Dtpp-mP", "Molybdopterin", "Pyranopterin" ] }, { "compound_id": "C05925", "inchi": "InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1", "name": "Dihydroneopterin phosphate", "names": [ "2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate", "Dihydroneopterin phosphate" ] }, { "compound_id": "C05926", "inchi": "InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1", "name": "Neopterin", "names": [ "6-(D-erythro-1,2,3-Trihydroxypropyl)pterin", "6-D-erythro-Neopterin", "D-Neopterin", "D-erythro-Neopterin", "Neopterin", "[S-(R*,S*)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on", "[S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one", "[S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one" ] }, { "compound_id": "C05927", "inchi": "InChI=1S/C30H43N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,23-25,29,32,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1", "name": "7,8-Dihydromethanopterin", "names": [ "7,8-Dihydromethanopterin" ] }, { "compound_id": "C05928", "inchi": "InChI=1S/C25H30N8O10/c26-25-31-20-19(22(39)32-25)28-13(9-27-20)10-33(11-34)14-3-1-12(2-4-14)21(38)30-16(24(42)43)5-7-17(35)29-15(23(40)41)6-8-18(36)37/h1-4,11,13,15-16,28H,5-10H2,(H,29,35)(H,30,38)(H,36,37)(H,40,41)(H,42,43)(H4,26,27,31,32,39)", "name": "10-Formyltetrahydrofolyl L-glutamate", "names": [ "10-Formyl-THF-L-glutamate", "10-Formyltetrahydrofolyl L-glutamate" ] }, { "compound_id": "C05929", "inchi": "InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)33-15(11-32-24)12-39(13-40)16-3-1-14(2-4-16)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,15,17-19,33H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,32,37,38,46)", "name": "10-Formyltetrahydrofolylpolyglutamate", "names": [ "10-Formyl-THF-polyglutamate", "10-Formyltetrahydrofolylpolyglutamate" ] }, { "compound_id": "C05931", "inchi": "InChI=1S/C9H13NO7/c11-6(2-4-8(14)15)10-5(9(16)17)1-3-7(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1", "name": "N-Succinyl-L-glutamate", "names": [ "(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid", "N-Succinyl-L-glutamate" ] }, { "compound_id": "C05932", "inchi": "InChI=1S/C9H13NO6/c11-5-1-2-6(9(15)16)10-7(12)3-4-8(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)(H,15,16)/t6-/m0/s1", "name": "N-Succinyl-L-glutamate 5-semialdehyde", "names": [ "(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid", "N-Succinyl-L-glutamate 5-semialdehyde" ] }, { "compound_id": "C05933", "inchi": "InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)", "name": "N-(omega)-Hydroxyarginine", "names": [ "N-(omega)-Hydroxyarginine" ] }, { "compound_id": "C05936", "inchi": "InChI=1S/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)", "name": "N4-Acetylaminobutanal", "names": [ "4-Acetamidobutanal", "N4-Acetylaminobutanal" ] }, { "compound_id": "C05938", "inchi": "InChI=1S/C5H9NO4/c6-4(5(9)10)1-3(8)2-7/h2-4,8H,1,6H2,(H,9,10)/t3-,4+/m1/s1", "name": "L-4-Hydroxyglutamate semialdehyde", "names": [ "L-4-Hydroxyglutamate semialdehyde" ] }, { "compound_id": "C05939", "inchi": "InChI=1S/C10H17N3O5/c11-6(9(15)16)3-4-8(14)12-13-5-1-2-7(13)10(17)18/h6-7H,1-5,11H2,(H,12,14)(H,15,16)(H,17,18)/t6-,7+/m0/s1", "name": "Linatine", "names": [ "Linatine", "N-(gamma-L-Glutamyl)amino-D-proline" ] }, { "compound_id": "C05941", "inchi": "InChI=1S/C5H9NO4/c6-2-3(7)1-4(8)5(9)10/h3,7H,1-2,6H2,(H,9,10)/t3-/m1/s1", "name": "2-Oxo-4-hydroxy-5-aminovalerate", "names": [ "2-Oxo-4-hydroxy-5-aminovalerate" ] }, { "compound_id": "C05942", "inchi": "InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)", "name": "Pyrrole-2-carboxylate", "names": [ "Pyrrole-2-carboxylate" ] }, { "compound_id": "C05944", "inchi": "InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1", "name": "Pantothenol", "names": [ "(+)-Panthenol", "(R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide", "2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide", "Bepanthen", "Bepanthene", "Bepantol", "Cozyme", "D(+)-Panthenol", "D(+)-Pantothenyl alcohol", "D-(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide", "D-P-A Injection", "D-Panthenol", "Dexpanthenol", "Ilopan", "Motilyn", "N-Pantoyl-propanolamine", "Panadon", "Panthenol", "Panthoderm", "Pantol", "Pantothenol", "Pantothenyl alcohol", "Provitamin B", "Synapan", "Thenalton", "Zentinic", "d-Pantothenol", "d-Pantothenyl alcohol" ] }, { "compound_id": "C05945", "inchi": "InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1", "name": "L-Arginine phosphate", "names": [ "Arginine phosphate", "L-Arginine phosphate", "L-Arginine-NG-phosphoric acid", "N(omega)-Phospho-L-arginine", "N-Phospho-L-arginine", "N5-[Imino(phosphonoamino)methyl]L-ornithine", "Phosphoarginine", "Phosphoarginine A", "n-w-phospho-L-arginine", "n-w-phospho-l-arginine", "nomega-phospho-L-arginine", "nomega-phospho-l-arginine", "omega-N-Phosphoarginine" ] }, { "compound_id": "C05946", "inchi": "InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m1/s1", "name": "D-4-Hydroxy-2-oxoglutarate", "names": [ "D-4-Hydroxy-2-oxoglutarate" ] }, { "compound_id": "C05947", "inchi": "InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3+/m0/s1", "name": "L-erythro-4-Hydroxyglutamate", "names": [ "L-erythro-4-Hydroxyglutamate" ] }, { "compound_id": "C05949", "inchi": "InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1", "name": "12-Keto-leukotriene B4", "names": [ "12-Keto-LTB4", "12-Keto-leukotriene B4", "5-Hydroxy-12-oxo-delta5,8,11,14-eicosapolyenoic acid" ] }, { "compound_id": "C05950", "inchi": "InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1", "name": "20-COOH-Leukotriene B4", "names": [ "20-COOH-LTB4", "20-COOH-Leukotriene B4", "20-Carboxy-leukotriene B4", "5,12-Dihydroxy-delta5,8,11,14-eicosapolyendioic acid" ] }, { "compound_id": "C05951", "inchi": "InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1", "name": "Leukotriene D4", "names": [ "LTD4", "Leukotriene D4" ] }, { "compound_id": "C05952", "inchi": "InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1", "name": "Leukotriene E4", "names": [ "(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraenoate", "(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoate", "LTE4", "Leukotriene E4" ] }, { "compound_id": "C05953", "inchi": "InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1", "name": "Prostaglandin A2", "names": [ "Medullin", "PGA2", "Prostaglandin A2" ] }, { "compound_id": "C05954", "inchi": "InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1", "name": "Prostaglandin B2", "names": [ "PGB2", "Prostaglandin B2" ] }, { "compound_id": "C05955", "inchi": "InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-,18+/m0/s1", "name": "Prostaglandin C2", "names": [ "PGC2", "Prostaglandin C2" ] }, { "compound_id": "C05956", "inchi": "InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1", "name": "Prostaglandin G2", "names": [ "PGG2", "Prostaglandin G2" ] }, { "compound_id": "C05957", "inchi": "InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1", "name": "Prostaglandin J2", "names": [ "PGJ2", "Prostaglandin J2" ] }, { "compound_id": "C05958", "inchi": "InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1", "name": "delta-12-Prostaglandin J2", "names": [ "delta-12-PGJ2", "delta-12-Prostaglandin J2" ] }, { "compound_id": "C05959", "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19-/m0/s1", "name": "11-epi-Prostaglandin F2alpha", "names": [ "11-epi-PGF2a", "11-epi-PGF2alpha", "11-epi-Prostaglandin F2a", "11-epi-Prostaglandin F2alpha" ] }, { "compound_id": "C05960", "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+,19-/m1/s1", "name": "15-Keto-prostaglandin F2alpha", "names": [ "15-Keto-PGF2a", "15-Keto-PGF2alpha", "15-Keto-prostaglandin F2a", "15-Keto-prostaglandin F2alpha" ] }, { "compound_id": "C05961", "inchi": "InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1", "name": "6-Keto-prostaglandin F1alpha", "names": [ "6-Keto-PGF1a", "6-Keto-PGF1alpha", "6-Keto-prostaglandin F1a", "6-Keto-prostaglandin F1alpha" ] }, { "compound_id": "C05962", "inchi": "InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1", "name": "6-Keto-prostaglandin E1", "names": [ "6-Keto-PGE1", "6-Keto-prostaglandin E1" ] }, { "compound_id": "C05963", "inchi": "InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20-/m0/s1", "name": "Thromboxane B2", "names": [ "TXB2", "Thromboxane B2" ] }, { "compound_id": "C05964", "inchi": "InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1", "name": "11-Dehydro-thromboxane B2", "names": [ "11-Dehydro-thromboxane B2" ] }, { "compound_id": "C05965", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1", "name": "12(S)-HPETE", "names": [ "(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate", "(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid", "12(S)-HPETE", "12-Hydroperoxyeicosatetraenoate", "12-Hydroperoxyeicosatetraenoic acid", "12-Hydroperoxyicosatetraenoate", "12-Hydroperoxyicosatetraenoic acid" ] }, { "compound_id": "C05966", "inchi": "InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1", "name": "15(S)-HPETE", "names": [ "(5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoate", "(5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoic acid", "15(S)-HPETE", "15-Hydroperoxyeicosatetraenoate", "15-Hydroperoxyeicosatetraenoic acid", "15-Hydroperoxyicosatetraenoate", "15-Hydroperoxyicosatetraenoic acid" ] }, { "compound_id": "C05973", "inchi": null, "name": "2-Acyl-sn-glycero-3-phosphoethanolamine", "names": [ "2-Acyl-sn-glycero-3-phosphoethanolamine", "L-1-Lysophosphatidylethanolamine", "O-(2-Acyl-sn-glycero-3-phospho)-ethanolamine" ] }, { "compound_id": "C05974", "inchi": null, "name": "2-Acyl-sn-glycero-3-phosphoserine", "names": [ "2-Acyl-sn-glycero-3-phosphoserine" ] }, { "compound_id": "C05976", "inchi": null, "name": "Aminoacyl-phosphatidylglycerol", "names": [ "Aminoacyl-phosphatidylglycerol" ] }, { "compound_id": "C05977", "inchi": null, "name": "2-Acyl-1-alkyl-sn-glycero-3-phosphate", "names": [ "2-Acyl-1-alkyl-sn-glycero-3-phosphate" ] }, { "compound_id": "C05979", "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", "name": "Propane-1-ol", "names": [ "1-Hydroxypropane", "1-Propanol", "Ethylcarbinol", "Optal", "Osmosol extra", "Propan-1-ol", "Propane-1-ol", "Propanol", "Propyl alcohol", "UN 1274", "n-Propanol", "n-Propyl alcohol" ] }, { "compound_id": "C05980", "inchi": null, "name": "Cardiolipin", "names": [ "1',3'-Bis(1,2-diacyl-sn-glycero-3-phospho)-sn-glycerol", "Cardiolipin", "Diphosphatidylglycerol" ] }, { "compound_id": "C05981", "inchi": null, "name": "Phosphatidylinositol-3,4,5-trisphosphate", "names": [ "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-bisphosphate)", "1-Phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate", "Phosphatidylinositol-3,4,5-trisphosphate" ] }, { "compound_id": "C05983", "inchi": "InChI=1S/C13H18N5O8P/c1-2-7(19)26-27(22,23)24-3-6-9(20)10(21)13(25-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H,22,23)(H2,14,15,16)/t6-,9-,10-,13-/m1/s1", "name": "Propionyladenylate", "names": [ "Propionyl-adenosine monophosphate", "Propionyladenylate" ] }, { "compound_id": "C05984", "inchi": "InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1", "name": "2-Hydroxybutanoic acid", "names": [ "2-Hydroxybutanoic acid", "2-Hydroxybutyrate", "2-Hydroxybutyric acid", "2-hydroxybutanoate", "d-2-hydroxy-n-butanoate" ] }, { "compound_id": "C05985", "inchi": "InChI=1S/C3H2O/c1-2-3-4/h1,3H", "name": "2-Propynal", "names": [ "2-Propyn-1-al", "2-Propynal", "Propiolaldehyde" ] }, { "compound_id": "C05986", "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2", "name": "2-Propyn-1-ol", "names": [ "1-Hydroxy-2-propyne", "1-Propyn-3-ol", "1-Propyn-3-yl alcohol", "2-Propyn-1-ol", "2-Propynol", "2-Propynyl alcohol", "3-Hydroxy-1-propyne", "3-Propynol", "Ethynylcarbinol", "NA 1986", "Prop-2-in-1-ol", "Prop-2-yn-1-ol", "Prop-2-yne-1-ol", "Propargyl alcohol", "Propynyl alcohol" ] }, { "compound_id": "C05989", "inchi": "InChI=1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1", "name": "3-Oxopropionyl-CoA", "names": [ "3-Oxopropionyl-CoA", "Malonyl semialdehyde-CoA" ] }, { "compound_id": "C05990", "inchi": "InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1", "name": "Isoscoparine", "names": [ "C-Glucosyl-6 chrysoeriol", "Chrysoeriol 6-C-glucoside", "Isoscoparin", "Isoscoparine" ] }, { "compound_id": "C05993", "inchi": "InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1", "name": "Acetyl adenylate", "names": [ "5'-Acetylphosphoadenosine", "Acetyl adenylate" ] }, { "compound_id": "C05994", "inchi": "InChI=1S/C7H12O5/c1-2-3-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)/t7-/m0/s1", "name": "2-Propylmalate", "names": [ "2-Propylmalate", "2-Propylmalic acid", "Malic acid, 2-propyl-" ] }, { "compound_id": "C05995", "inchi": "InChI=1S/C12H16N4O7/c1-4-11(22)16(2-5(18)8(20)6(19)3-17)9-7(13-4)10(21)15-12(23)14-9/h5-6,8,17-20,22H,2-3H2,1H3,(H,15,21,23)/t5-,6+,8-/m0/s1", "name": "7-Hydroxy-6-methyl-8-ribityl lumazine", "names": [ "7-Hydroxy-6-methyl-8-ribityl lumazine" ] }, { "compound_id": "C05996", "inchi": null, "name": "Branched chain fatty acid", "names": [ "Branched chain fatty acid" ] }, { "compound_id": "C05997", "inchi": "InChI=1S/C26H46N7O17P3S/c1-25(2,20(36)23(37)29-7-5-16(34)28-8-10-54-9-6-26(3,4)38)12-47-53(44,45)50-52(42,43)46-11-15-19(49-51(39,40)41)18(35)24(48-15)33-14-32-17-21(27)30-13-31-22(17)33/h13-15,18-20,24,35-36,38H,5-12H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20?,24-/m1/s1", "name": "3-Hydroxyisopentyl-CoA", "names": [ "3-Hydroxyisopentyl coenzyme A", "3-Hydroxyisopentyl-CoA" ] }, { "compound_id": "C05998", "inchi": "InChI=1S/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20?,24-/m1/s1", "name": "3-Hydroxyisovaleryl-CoA", "names": [ "3-Hydroxyisovaleryl coenzyme A", "3-Hydroxyisovaleryl-CoA" ] }, { "compound_id": "C05999", "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3", "name": "Lactaldehyde", "names": [ "2-Hydroxypropanal", "2-Hydroxypropionaldehyde", "Lactaldehyde" ] }, { "compound_id": "C06000", "inchi": "InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19?,23+/m0/s1", "name": "(S)-3-Hydroxyisobutyryl-CoA", "names": [ "(S)-3-Hydroxyisobutyryl-CoA" ] }, { "compound_id": "C06001", "inchi": "InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1", "name": "(S)-3-Hydroxyisobutyrate", "names": [ "(S)-3-Hydroxyisobutyrate" ] }, { "compound_id": "C06002", "inchi": "InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m0/s1", "name": "(S)-Methylmalonate semialdehyde", "names": [ "(S)-Methylmalonate semialdehyde" ] }, { "compound_id": "C06006", "inchi": "InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1", "name": "(S)-2-Aceto-2-hydroxybutanoate", "names": [ "(S)-2-Aceto-2-hydroxybutanoate", "(S)-2-Hydroxy-2-ethyl-3-oxobutanoate" ] }, { "compound_id": "C06007", "inchi": "InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1", "name": "(R)-2,3-Dihydroxy-3-methylpentanoate", "names": [ "(2R,3R)-2,3-Dihydroxy-3-methylpentanoate", "(R)-2,3-Dihydroxy-3-methylpentanoate", "(R)-2,3-Dihydroxy-3-methylvalerate" ] }, { "compound_id": "C06008", "inchi": "InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1", "name": "(3R)-3-Methyl-2-oxopentanoic acid", "names": [ "(3R)-3-Methyl-2-oxopentanoic acid", "(R)-2-Oxo-3-methylpentanoate", "(R)-2-Oxo-3-methylpentanoic acid" ] }, { "compound_id": "C06010", "inchi": "InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/t5-/m0/s1", "name": "(S)-2-Acetolactate", "names": [ "(S)-2-Acetolactate", "(S)-2-Hydroxy-2-methyl-3-oxobutanoate" ] }, { "compound_id": "C06011", "inchi": "InChI=1S/C6H7NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h1-5,7H,(H,8,9,10)/p-1", "name": "Benzenamine sulfate", "names": [ "Benzenamine sulfate" ] }, { "compound_id": "C06016", "inchi": null, "name": "Pentosan", "names": [ "Pentosan" ] }, { "compound_id": "C06017", "inchi": "InChI=1S/C16H24N2O17P2/c1-5-3-18(16(26)17-13(5)23)8-2-6(19)7(32-8)4-31-36(27,28)35-37(29,30)34-15-11(22)9(20)10(21)12(33-15)14(24)25/h3,6-12,15,19-22H,2,4H2,1H3,(H,24,25)(H,27,28)(H,29,30)(H,17,23,26)/t6-,7+,8+,9-,10-,11+,12-,15+/m0/s1", "name": "dTDP-D-glucuronate", "names": [ "dTDP-D-glucuronate" ] }, { "compound_id": "C06018", "inchi": "InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)14(24)13(8(2)33-17)19-9(3)22/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13-,14+,15-,17-/m1/s1", "name": "dTDP-4-acetamido-4,6-dideoxy-D-glucose", "names": [ "dTDP-4-acetamido-4,6-dideoxy-D-glucose" ] }, { "compound_id": "C06019", "inchi": "InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-4,6-9,11H,1-2H2,(H2,12,13,14)/t3-,4-,6-/m1/s1", "name": "D-arabino-Hex-3-ulose 6-phosphate", "names": [ "D-arabino-3-Hexulose 6-phosphate", "D-arabino-6-Phospho-hex-3-ulose", "D-arabino-Hex-3-ulose 6-phosphate" ] }, { "compound_id": "C06020", "inchi": null, "name": "Methylcorrinoid", "names": [ "Corrinoid protein Co2+-CH3", "Methylcorrinoid", "Methylcorrinoid protein" ] }, { "compound_id": "C06021", "inchi": null, "name": "Corrinoid", "names": [ "Corrinoid", "Corrinoid protein", "Corrinoid protein Co+" ] }, { "compound_id": "C06022", "inchi": "InChI=1S/C29H51N3O18P2/c1-2-3-4-5-6-7-8-9-10-11-17(34)14-21(36)48-26-22(30)28(47-18(15-33)24(26)38)49-52(43,44)50-51(41,42)45-16-19-23(37)25(39)27(46-19)32-13-12-20(35)31-29(32)40/h12-13,17-19,22-28,33-34,37-39H,2-11,14-16,30H2,1H3,(H,41,42)(H,43,44)(H,31,35,40)/t17?,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1", "name": "UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine", "names": [ "UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine", "UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine" ] }, { "compound_id": "C06023", "inchi": "InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14?,15?,16-,17?,18?/m1/s1", "name": "D-Glucosaminide", "names": [ "D-Glucosaminide" ] }, { "compound_id": "C06024", "inchi": "InChI=1S/C76H142N2O30P2/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(86)77-65-71(104-63(88)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(91)59(102-74(65)108-110(97,98)99)51-100-73-66(78-62(87)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(105-64(89)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(107-109(94,95)96)60(103-73)52-101-76(75(92)93)49-57(84)67(90)69(106-76)58(85)50-79/h53-60,65-74,79-85,90-91H,5-52H2,1-4H3,(H,77,86)(H,78,87)(H,92,93)(H2,94,95,96)(H2,97,98,99)/t53?,54?,55?,56?,57-,58-,59-,60-,65-,66-,67?,68-,69-,70-,71-,72-,73-,74-,76-/m1/s1", "name": "3-Deoxy-D-manno-octulosonyl-lipid IV(A)", "names": [ "3-Deoxy-D-manno-octulosonyl-2',3',2',3'-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate", "3-Deoxy-D-manno-octulosonyl-lipid IV(A)", "KDO-lipid IV(A)" ] }, { "compound_id": "C06025", "inchi": "InChI=1S/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/t55?,56?,57?,58?,59-,60-,61-,62?,63-,64-,69-,70-,71?,72?,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m1/s1", "name": "Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A)", "names": [ "Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A)", "KDO2-lipid IV(A)" ] }, { "compound_id": "C06026", "inchi": "InChI=1S/C110H202N2O39P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-92(123)142-82(66-60-54-48-42-35-29-23-17-11-5)72-94(125)146-104-96(112-90(121)71-81(65-59-53-47-41-34-28-22-16-10-4)141-91(122)67-61-55-49-43-36-30-24-18-12-6)105(144-88(102(104)150-152(133,134)135)78-140-109(107(129)130)74-86(98(127)101(148-109)85(119)76-114)147-110(108(131)132)73-83(117)97(126)100(149-110)84(118)75-113)139-77-87-99(128)103(145-93(124)70-80(116)64-58-52-46-40-33-27-21-15-9-3)95(106(143-87)151-153(136,137)138)111-89(120)69-79(115)63-57-51-45-39-32-26-20-14-8-2/h79-88,95-106,113-119,126-128H,7-78H2,1-6H3,(H,111,120)(H,112,121)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/t79?,80?,81?,82?,83-,84-,85-,86?,87-,88-,95-,96-,97?,98?,99-,100-,101-,102-,103-,104-,105-,106-,109-,110-/m1/s1", "name": "Di[3-deoxy-D-manno-octulosonyl]-lipid A", "names": [ "Di[3-deoxy-D-manno-octulosonyl]-lipid A", "KDO2-lipid (A)" ] }, { "compound_id": "C06027", "inchi": "InChI=1S/C26H42N7O20P3S/c1-12(16(35)24(39)40)25(41)57-7-6-28-14(34)4-5-29-22(38)19(37)26(2,3)9-50-56(47,48)53-55(45,46)49-8-13-18(52-54(42,43)44)17(36)23(51-13)33-11-32-15-20(27)30-10-31-21(15)33/h10-13,16-19,23,35-37H,4-9H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t12-,13-,16+,17-,18-,19?,23-/m1/s1", "name": "L-erythro-3-Methylmalyl-CoA", "names": [ "L-erythro-3-Methylmalyl-CoA", "beta-Methylmalyl-CoA" ] }, { "compound_id": "C06028", "inchi": "InChI=1S/C26H40N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,37-38H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8+/t14-,18-,19-,20?,24-/m1/s1", "name": "Mesaconyl-CoA", "names": [ "Mesaconyl-C1-CoA", "Mesaconyl-CoA" ] }, { "compound_id": "C06029", "inchi": "InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1", "name": "L-threo-3-Methylmalate", "names": [ "L-threo-3-Methylmalate" ] }, { "compound_id": "C06030", "inchi": "InChI=1S/C5H6O5/c1-2(4(7)8)3(6)5(9)10/h2H,1H3,(H,7,8)(H,9,10)/t2-/m0/s1", "name": "Methyloxaloacetate", "names": [ "Methyloxaloacetate" ] }, { "compound_id": "C06031", "inchi": "InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/t2-,3-/m1/s1", "name": "D-threo-3-Methylmalate", "names": [ "D-threo-3-Methylmalate" ] }, { "compound_id": "C06032", "inchi": "InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1", "name": "D-erythro-3-Methylmalate", "names": [ "(2R,3S)-3-Methylmalate", "D-erythro-3-Methylmalate" ] }, { "compound_id": "C06033", "inchi": "InChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)", "name": "Parapyruvate", "names": [ "4-Hydroxy-4-methyl-2-oxoglutarate", "Parapyruvate" ] }, { "compound_id": "C06034", "inchi": "InChI=1S/C6H11NO5/c1-6(12,5(10)11)2-3(7)4(8)9/h3,12H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,6-/m0/s1", "name": "4-Hydroxy-4-methylglutamate", "names": [ "4-Hydroxy-4-methylglutamate" ] }, { "compound_id": "C06035", "inchi": "InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11)", "name": "4-Methylene-2-oxoglutarate", "names": [ "2-Methylidene-4-oxopentanedioic acid", "4-Carboxy-2-oxo-4-pentenoate", "4-Methylene-2-oxoglutarate" ] }, { "compound_id": "C06036", "inchi": null, "name": "Trigalactosyl-diacylglycerol", "names": [ "1,2-Diacyl-3-O-(alpha-D-galactosyl(1->6)-O-alpha-D-galactosyl(1->6)-O-beta-D-galactosyl)-sn-glycerol", "3-[alpha-D-Galactosyl-(1->6)-alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol", "Gal-alpha1->6Gal-alpha1->6Galii-beta1->3acyl2Gro", "Galalpha1->6Galalpha1->6Galiibeta1->3acyl2Gro", "TGDG", "Trigalactosyl-diacylglycerol" ] }, { "compound_id": "C06037", "inchi": null, "name": "Digalactosyl-diacylglycerol", "names": [ "1,2-Diacyl-3-O-(alpha-D-galactosyl(1->6)-O-beta-D-galactosyl)-sn-glycerol", "2,3-Di-O-acyl-1-O-(6-O-alpha-D-galactosyl-beta-D-galactosyl)-D-glycerol", "3-[alpha-D-Galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol", "DGDG", "Digalactosyl-diacylglycerol", "Gal-alpha1->6Gal-beta1->3acyl2Gro", "Galalpha1->6Galbeta1->3acyl2Gro" ] }, { "compound_id": "C06038", "inchi": null, "name": "Acyl1-monogalactosyl-diacylglycerol", "names": [ "1,2-Diacyl-3-O-(acyl(1->6)-O-beta-D-galactosyl)-sn-glycerol", "Acyl1-monogalactosyl-diacylglycerol", "Acylmono-beta-D-galactosyldiacylglycerol", "acyl1->6Gal-beta1->3acyl2Gro", "acyl1->6Galbeta1->3acyl2Gro" ] }, { "compound_id": "C06040", "inchi": null, "name": "Diglucosyl-diacylglycerol", "names": [ "1,2-Diacyl-3-O-(beta-D-glucopyranosyl(1->6)-O-beta-D-glucopyranosyl)-sn-glycerol", "Diglucosyl-diacylglycerol", "Glc-beta1->6Glc-beta1->3acyl2Gro", "Glcbeta1->6Glcbeta1->3acyl2Gro" ] }, { "compound_id": "C06041", "inchi": null, "name": "Glycerophosphoglycoglycerolipid", "names": [ "(sn-Gro-1-P)->6Glc-beta1->6Glc-alpha1->3acyl2Gro", "(sn-Gro-1-P)->6Glcbeta1->6Glcalpha1->3acyl2Gro", "Glycerophosphoglycoglycerolipid" ] }, { "compound_id": "C06042", "inchi": null, "name": "Lipoteichoic acid", "names": [ "(sn-Gro-1-P)25->6Glc-alpha1->2Glc-alpha1->3acyl2Gro", "Lipoteichoic acid" ] }, { "compound_id": "C06044", "inchi": "InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2", "name": "4-Hydroxyphenylethanol", "names": [ "4-Hydroxyphenylethanol", "Tyrosol" ] }, { "compound_id": "C06046", "inchi": "InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1", "name": "Salidroside", "names": [ "Salidroside", "Tyrosol glucoside", "p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside" ] }, { "compound_id": "C06047", "inchi": "InChI=1S/C9H9NO6/c10-5(8(12)13)1-4-2-6(9(14)15)16-7(11)3-4/h2-3,5H,1,10H2,(H,12,13)(H,14,15)/t5-/m0/s1", "name": "Stizolobate", "names": [ "Stizolobate" ] }, { "compound_id": "C06048", "inchi": "InChI=1S/C9H9NO6/c10-5(7(11)12)3-4-1-2-6(8(13)14)16-9(4)15/h1-2,5H,3,10H2,(H,11,12)(H,13,14)/t5-/m0/s1", "name": "Stizolobinate", "names": [ "Stizolobinate", "Stizolobinic acid" ] }, { "compound_id": "C06049", "inchi": null, "name": "N-Formylderivatives", "names": [ "N-Formylderivatives" ] }, { "compound_id": "C06050", "inchi": "InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)", "name": "2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate", "names": [ "2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate", "5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate" ] }, { "compound_id": "C06051", "inchi": "InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2-3,11-12H,4H2,1H3", "name": "Isopyridoxal", "names": [ "Isopyridoxal" ] }, { "compound_id": "C06052", "inchi": "InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3", "name": "5-Pyridoxolactone", "names": [ "5-Pyridoxolactone" ] }, { "compound_id": "C06054", "inchi": "InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1", "name": "2-Oxo-3-hydroxy-4-phosphobutanoate", "names": [ "(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate", "2-Oxo-3-hydroxy-4-phosphobutanoate", "alpha-Keto-3-hydroxy-4-phosphobutyrate" ] }, { "compound_id": "C06055", "inchi": "InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1", "name": "O-Phospho-4-hydroxy-L-threonine", "names": [ "4-(Phosphonooxy)-L-threonine", "4-(Phosphonooxy)-threonine", "O-Phospho-4-hydroxy-L-threonine" ] }, { "compound_id": "C06056", "inchi": "InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1", "name": "4-Hydroxy-L-threonine", "names": [ "4-Hydroxy-L-threonine", "Hydroxythreonine" ] }, { "compound_id": "C06057", "inchi": "InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m0/s1", "name": "3-Aminopropane-1,2-diol", "names": [ "(R)-3-Amino-1,2-propanediol", "3-Aminopropane-1,2-diol" ] }, { "compound_id": "C06058", "inchi": null, "name": "Nitroalkane", "names": [ "Nitroalkane" ] }, { "compound_id": "C06059", "inchi": null, "name": "Cyclic amidines", "names": [ "Cyclic amidines" ] }, { "compound_id": "C06060", "inchi": null, "name": "Amidines", "names": [ "Amidines" ] }, { "compound_id": "C06062", "inchi": null, "name": "Ceramide phosphoethanolamine", "names": [ "Ceramide phosphoethanolamine" ] }, { "compound_id": "C06066", "inchi": "InChI=1S/C10H16O3/c1-7(11)4-5-8-6-9(12)13-10(8,2)3/h8H,4-6H2,1-3H3", "name": "4,5-Dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one", "names": [ "4,5-Dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one" ] }, { "compound_id": "C06067", "inchi": "InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-6,9,13,18H,7-8,17H2,1-2H3,(H,19,20)", "name": "Dimethylallyltryptophan", "names": [ "4-Dimethylallyltryptophan", "Dimethylallyltryptophan" ] }, { "compound_id": "C06068", "inchi": "InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/t13-,15-/m1/s1", "name": "Elymoclavine", "names": [ "Dihydrolysergol", "Elymoclavine" ] }, { "compound_id": "C06069", "inchi": "InChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8+,9+,10-/m0/s1", "name": "Iridodial", "names": [ "Iridodial" ] }, { "compound_id": "C06070", "inchi": "InChI=1S/C10H14O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h4-7,9-11H,2-3H2,1H3/b8-4+/t7-,9+,10+/m0/s1", "name": "Iridotrial", "names": [ "(1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde", "Iridotrial" ] }, { "compound_id": "C06071", "inchi": "InChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8+,10+,11+,12+,13-,14+,16-,17-/m0/s1", "name": "Deoxyloganin", "names": [ "7-Deoxyloganin", "Deoxyloganin" ] }, { "compound_id": "C06074", "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3", "name": "Myrcene", "names": [ "Myrcene", "beta-Myrcene" ] }, { "compound_id": "C06075", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3", "name": "Terpinolene", "names": [ "Terpinolene" ] }, { "compound_id": "C06076", "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3", "name": "Comphene", "names": [ "Camphene", "Comphene" ] }, { "compound_id": "C06077", "inchi": null, "name": "Pinene", "names": [ "Pinene" ] }, { "compound_id": "C06078", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3", "name": "Limonene", "names": [ "Cajeputene", "Dipentene", "Kautschin", "Limonene", "dl-Limonene" ] }, { "compound_id": "C06079", "inchi": "InChI=1S/C17H20O6/c1-8-12(21-9(2)19)14-13(22-14)10-5-11(20)17(6-15(8,10)3)16(4,7-18)23-17/h5,7-8,12-14H,6H2,1-4H3/t8-,12+,13-,14+,15+,16+,17-/m0/s1", "name": "PR-toxin", "names": [ "PR Toxin", "PR-toxin" ] }, { "compound_id": "C06080", "inchi": "InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15-/m1/s1", "name": "Nivalenol", "names": [ "Nivalenol" ] }, { "compound_id": "C06081", "inchi": "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+", "name": "Polyprenol", "names": [ "Polyprenol" ] }, { "compound_id": "C06082", "inchi": "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1", "name": "Abscisate", "names": [ "(+)-Abscisic acid", "Abscisate", "Abscisic acid" ] }, { "compound_id": "C06083", "inchi": "InChI=1S/C30H52O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1", "name": "Tetrahymanol", "names": [ "Tetrahymanol" ] }, { "compound_id": "C06084", "inchi": null, "name": "Hopanoid", "names": [ "Hopanoid" ] }, { "compound_id": "C06085", "inchi": null, "name": "Triterpenoid", "names": [ "Triterpenoid" ] }, { "compound_id": "C06086", "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19+,20+/m0/s1", "name": "Pimaradiene", "names": [ "Pimaradiene" ] }, { "compound_id": "C06087", "inchi": "InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1", "name": "Abietate", "names": [ "Abietate", "Abietic acid" ] }, { "compound_id": "C06088", "inchi": "InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14?,15-,16+,17-,18-,19-,20-/m0/s1", "name": "Aphidicolin", "names": [ "Aphidicolin" ] }, { "compound_id": "C06089", "inchi": "InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m1/s1", "name": "ent-Copalyl diphosphate", "names": [ "(-)-Copalyl diphosphate", "ent-Copalyl diphosphate" ] }, { "compound_id": "C06090", "inchi": "InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16-,17+,19-,20?/m1/s1", "name": "ent-Kaurene", "names": [ "ent-Kaur-16-ene", "ent-Kaurene" ] }, { "compound_id": "C06091", "inchi": "InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21?,22-,23?,24?,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1", "name": "Aconitine", "names": [ "Aconitine" ] }, { "compound_id": "C06092", "inchi": "InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15?,16-,17-,18-,19-,20-,21?,22-/m0/s1", "name": "Veatchine", "names": [ "Veatchine" ] }, { "compound_id": "C06093", "inchi": "InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16?,18+,19-,20-/m1/s1", "name": "Gibberellin A12 aldehyde", "names": [ "Gibberellin A12 aldehyde" ] }, { "compound_id": "C06094", "inchi": "InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1", "name": "Gibberellin A53", "names": [ "Gibberellin A53" ] }, { "compound_id": "C06095", "inchi": "InChI=1S/C20H28O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h12-14,21,26H,1,3-10H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1", "name": "Gibberellin A44 diacid", "names": [ "Gibberellin A44 diacid", "Gibberellin A44 open lactone" ] }, { "compound_id": "C06096", "inchi": "InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1", "name": "Gibberellin A29", "names": [ "Gibberellin A29" ] }, { "compound_id": "C06098", "inchi": "InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1", "name": "Zeaxanthin", "names": [ "Zeaxanthin" ] }, { "compound_id": "C06099", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1", "name": "(+)-Limonene", "names": [ "(+)-(4R)-Limonene", "(+)-(R)-Limonene", "(+)-Limonene" ] }, { "compound_id": "C06102", "inchi": "InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)", "name": "Adipate semialdehyde", "names": [ "6-Oxohexanoate", "6-Oxohexanoic acid", "Adipate semialdehyde", "Hexan-1-one-6-carboxylate" ] }, { "compound_id": "C06103", "inchi": "InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)", "name": "6-Hydroxyhexanoic acid", "names": [ "6-Hydroxyhexanoate", "6-Hydroxyhexanoic acid" ] }, { "compound_id": "C06104", "inchi": "InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)", "name": "Adipate", "names": [ "Adipate", "Adipic acid", "Hexan-1,6-dicarboxylate", "Hexanedioate" ] }, { "compound_id": "C06105", "inchi": "InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2", "name": "Cyclohexane-1,2-dione", "names": [ "Cyclohexane-1,2-dione" ] }, { "compound_id": "C06108", "inchi": "InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)", "name": "Fluoroacetate", "names": [ "Cymonic acid", "Fluoroacetate", "Fluoroacetic acid", "Gifblaar poison", "HFA", "UN 2642" ] }, { "compound_id": "C06109", "inchi": null, "name": "Cytochrome P-450 oxidized form", "names": [ "Cytochrome P-450 oxidized form" ] }, { "compound_id": "C06110", "inchi": null, "name": "Cytochrome P-450 reduced form", "names": [ "Cytochrome P-450 reduced form" ] }, { "compound_id": "C06111", "inchi": "InChI=1S/C15H28O7P2/c1-6-15(5,21-24(19,20)22-23(16,17)18)12-8-11-14(4)10-7-9-13(2)3/h6,9,11H,1,7-8,10,12H2,2-5H3,(H,19,20)(H2,16,17,18)/b14-11+", "name": "Nerolidyl diphosphate", "names": [ "NPP", "Nerolidyl diphosphate" ] }, { "compound_id": "C06112", "inchi": null, "name": "L-Glutamyl-tRNA(Gln)", "names": [ "Glu-tRNA(Gln)", "Glutamyl-tRNA(Gln)", "L-Glutamyl-tRNA(Gln)" ] }, { "compound_id": "C06113", "inchi": null, "name": "L-Aspartyl-tRNA(Asn)", "names": [ "Asp-tRNA(Asn)", "Aspartyl-tRNA(Asn)", "L-Aspartyl-tRNA(Asn)" ] }, { "compound_id": "C06114", "inchi": "InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1", "name": "gamma-Glutamyl-beta-aminopropiononitrile", "names": [ "gamma-Glutamyl-3-aminopropiononitrile", "gamma-Glutamyl-beta-aminopropiononitrile" ] }, { "compound_id": "C06115", "inchi": "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5?/m0/s1", "name": "L-Arabinofuranose", "names": [ "L-Arabinofuranose" ] }, { "compound_id": "C06118", "inchi": "InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4+,5+,6+,7?,8-,11+,12?/m0/s1", "name": "4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate", "names": [ "4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate", "4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate", "Unsaturated digalacturonate" ] }, { "compound_id": "C06121", "inchi": "InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17,20H,2-13,16,19H2,1H3/b15-14+/t17-/m0/s1", "name": "3-Ketosphingosine", "names": [ "3-Ketosphingosine" ] }, { "compound_id": "C06123", "inchi": "InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3/b15-14+", "name": "Hexadecenal", "names": [ "2-trans-Hexadecenal", "Hexadecenal" ] }, { "compound_id": "C06124", "inchi": "InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1", "name": "Sphingosine 1-phosphate", "names": [ "Sphing-4-enine 1-phosphate", "Sphingosine 1-phosphate" ] }, { "compound_id": "C06125", "inchi": null, "name": "Sulfatide", "names": [ "Cerebroside 3-sulfate", "Galactosylceramidesulfate", "Sulfatide" ] }, { "compound_id": "C06126", "inchi": null, "name": "Digalactosylceramide", "names": [ "Digalactosylceramide", "Gal-alpha1->4Gal-beta1->1'Cer" ] }, { "compound_id": "C06127", "inchi": null, "name": "Digalactosylceramidesulfate", "names": [ "Digalactosylceramidesulfate" ] }, { "compound_id": "C06128", "inchi": null, "name": "GM4", "names": [ "GM4", "N-Acetylneuraminyl-galactosylceramide", "Neu5Ac-alpha2->3Gal-beta1->1'Cer" ] }, { "compound_id": "C06129", "inchi": null, "name": "Ceramidepentasaccharide", "names": [ "Ceramidepentasaccharide" ] }, { "compound_id": "C06130", "inchi": null, "name": "Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer", "names": [ "Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer" ] }, { "compound_id": "C06131", "inchi": null, "name": "Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1'Cer", "names": [ "Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1'Cer" ] }, { "compound_id": "C06132", "inchi": null, "name": "Type A glycolipid", "names": [ "GalNAc-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", "GalNAc-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer", "Type A glycolipid" ] }, { "compound_id": "C06133", "inchi": null, "name": "GD3", "names": [ "GD3", "NeuAc-alpha2->8NeuAc-alpha2->3Gal-beta1->4Glc-beta1->1'Cer", "NeuAc-alpha2->8NeuAc2->3LacCer", "alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-glucosyl-1,1'-ceramide" ] }, { "compound_id": "C06134", "inchi": null, "name": "GD2", "names": [ "GD2", "GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)Gal-beta1->4Glc-beta1->1'Cer", "GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)LacCer" ] }, { "compound_id": "C06135", "inchi": null, "name": "GA2", "names": [ "GA2", "GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer", "GalNAc-beta1->4LacCer" ] }, { "compound_id": "C06136", "inchi": null, "name": "GA1", "names": [ "GA1", "Gal-beta1->3GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer", "Gal-beta1->3GalNAc-beta1->4LacCer" ] }, { "compound_id": "C06138", "inchi": null, "name": "GT1a", "names": [ "GT1a", "Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", "Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)LacCer" ] }, { "compound_id": "C06139", "inchi": null, "name": "GQ1", "names": [ "GQ1", "Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", "Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer" ] }, { "compound_id": "C06140", "inchi": null, "name": "GT1b", "names": [ "GT1b", "Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", "Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer" ] }, { "compound_id": "C06141", "inchi": null, "name": "GD1b", "names": [ "GD1b", "Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", "Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer" ] }, { "compound_id": "C06142", "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", "name": "1-Butanol", "names": [ "1-Butanol", "n-Butanol" ] }, { "compound_id": "C06143", "inchi": null, "name": "Poly-beta-hydroxybutyrate", "names": [ "Poly-beta-hydroxybutyrate" ] }, { "compound_id": "C06144", "inchi": "InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)", "name": "3-Butynoate", "names": [ "3-Butynoate", "But-3-ynoate" ] }, { "compound_id": "C06145", "inchi": "InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2", "name": "3-Butyn-1-al", "names": [ "3-Butyn-1-al" ] }, { "compound_id": "C06146", "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2", "name": "3-Butyn-1-ol", "names": [ "3-Butyn-1-ol" ] }, { "compound_id": "C06148", "inchi": "InChI=1S/C9H18N5O14P3/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,6,16-17H,1-2,10H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,13,14,18)", "name": "2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine", "names": [ "2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine" ] }, { "compound_id": "C06149", "inchi": "InChI=1S/C11H20N5O13P3/c1-4-7(14-6-8(13-4)15-10(12)16-9(6)18)11(2,19)5(17)3-27-31(23,24)29-32(25,26)28-30(20,21)22/h4-5,17,19H,3H2,1-2H3,(H,23,24)(H,25,26)(H2,20,21,22)(H4,12,13,15,16,18)", "name": "6-(3'-Triphosphoryl-1'-methylglyceryl)-7-methyl-7,8-dihydrobiopterin", "names": [ "6-(3'-Triphosphoryl-1'-methylglyceryl)-7-methyl-7,8-dihydrobiopterin" ] }, { "compound_id": "C06150", "inchi": null, "name": "D-Inositol", "names": [ "(+)-Inositol", "D-Inositol" ] }, { "compound_id": "C06151", "inchi": "InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m1/s1", "name": "1L-chiro-Inositol", "names": [ "1L-chiro-Inositol" ] }, { "compound_id": "C06152", "inchi": "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5+,6+", "name": "muco-Inositol", "names": [ "muco-Inositol" ] }, { "compound_id": "C06153", "inchi": "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-", "name": "Scyllo-inositol", "names": [ "Scyllitol", "Scyllo-inositol" ] }, { "compound_id": "C06155", "inchi": "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2+,3-,4-,5+,6+", "name": "L-myo-Inositol 5-phosphate", "names": [ "L-myo-Inositol 5-phosphate" ] }, { "compound_id": "C06156", "inchi": "InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1", "name": "alpha-D-Glucosamine 1-phosphate", "names": [ "D-Glucosamine 1-phosphate", "alpha-D-Glucosamine 1-phosphate" ] }, { "compound_id": "C06157", "inchi": null, "name": "[Dihydrolipoyllysine-residue succinyltransferase] S-glutaryldihydrolipoyllysine", "names": [ "S-Glutaryldihydrolipoamide-E", "[Dihydrolipoyllysine-residue succinyltransferase] S-glutaryldihydrolipoyllysine" ] }, { "compound_id": "C06158", "inchi": "InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3/t2-,3-,4-,5+/m1/s1", "name": "D-Fucono-1,4-lactone", "names": [ "D-Fucono-1,4-lactone" ] }, { "compound_id": "C06159", "inchi": "InChI=1S/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h3-4,7-8H,2H2,1H3,(H,10,11)/t3-,4-/m1/s1", "name": "2-Dehydro-3-deoxy-D-fuconate", "names": [ "2-Dehydro-3-deoxy-D-fuconate" ] }, { "compound_id": "C06160", "inchi": "InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m0/s1", "name": "(S)-Norcoclaurine", "names": [ "(S)-Norcoclaurine", "6,7-Dihydroxy-(1S)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline" ] }, { "compound_id": "C06161", "inchi": "InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1", "name": "(S)-Coclaurine", "names": [ "(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol", "(S)-Coclaurine", "1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline" ] }, { "compound_id": "C06162", "inchi": "InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1", "name": "Sanguinarine", "names": [ "Sanguinarine" ] }, { "compound_id": "C06163", "inchi": "InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21?/m0/s1", "name": "(S)-cis-N-methylstylopine", "names": [ "(S)-cis-N-methylstylopine" ] }, { "compound_id": "C06165", "inchi": "InChI=1S/C22H18NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-8H,9-10H2,1-3H3/q+1", "name": "Macarpine", "names": [ "Macarpine" ] }, { "compound_id": "C06167", "inchi": "InChI=1S/C19H21NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11H,6-8H2,1-3H3,(H-,21,22)/p+1", "name": "1,2-Dehydroreticuline", "names": [ "1,2-Dehydroreticuline", "1,2-Dehydroreticulinium", "3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium" ] }, { "compound_id": "C06171", "inchi": "InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1", "name": "Codeinone", "names": [ "(5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one", "Codeinone" ] }, { "compound_id": "C06172", "inchi": "InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12,17H,5,7-9H2,1-2H3/t12-,17?,18+/m1/s1", "name": "Neopinone", "names": [ "Neopinone" ] }, { "compound_id": "C06173", "inchi": "InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1", "name": "Thebaine", "names": [ "Thebaine" ] }, { "compound_id": "C06174", "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1", "name": "Codeine", "names": [ "(5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol", "Codeine" ] }, { "compound_id": "C06175", "inchi": "InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1", "name": "Oripavine", "names": [ "Oripavine" ] }, { "compound_id": "C06176", "inchi": "InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1", "name": "Senecionine", "names": [ "Senecionine" ] }, { "compound_id": "C06177", "inchi": "InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8-/m1/s1", "name": "Retronecine", "names": [ "Retronecine" ] }, { "compound_id": "C06178", "inchi": "InChI=1S/C5H10N/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3/q+1", "name": "1-Methylpyrrolinium", "names": [ "1-Methyl-delta(1)-pyrrolinium", "1-Methylpyrrolinium" ] }, { "compound_id": "C06179", "inchi": "InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m1/s1", "name": "Hygrine", "names": [ "(+)-Hygrine", "Hygrine" ] }, { "compound_id": "C06180", "inchi": "InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2", "name": "Anabasine", "names": [ "Anabasine" ] }, { "compound_id": "C06181", "inchi": "InChI=1S/C5H9N/c1-2-4-6-5-3-1/h4H,1-3,5H2", "name": "Piperideine", "names": [ "1-Piperideine", "Piperideine" ] }, { "compound_id": "C06182", "inchi": "InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3", "name": "Pelletierine", "names": [ "Pelletierine" ] }, { "compound_id": "C06183", "inchi": "InChI=1S/C13H24N2O/c16-13(9-11-5-1-3-7-14-11)10-12-6-2-4-8-15-12/h11-12,14-15H,1-10H2/t11-,12-/m0/s1", "name": "Anapheline", "names": [ "Anapheline", "L-(+)-Anaferine" ] }, { "compound_id": "C06184", "inchi": "InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3", "name": "N-Methylpelletierine", "names": [ "N-Methylpelletierine" ] }, { "compound_id": "C06185", "inchi": "InChI=1S/C10H18N2O2/c1-7(13)14-10-4-5-12-6-8(11)2-3-9(10)12/h8-10H,2-6,11H2,1H3/t8-,9?,10-/m0/s1", "name": "Slaframine", "names": [ "Slaframine" ] }, { "compound_id": "C06186", "inchi": "InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1", "name": "Arbutin", "names": [ "Arbutin", "Hydroquinone-O-beta-D-glucopyranoside", "Ursin", "Uvasol" ] }, { "compound_id": "C06187", "inchi": "InChI=1S/C12H17O10P/c13-6-1-3-7(4-2-6)21-12-11(16)10(15)9(14)8(22-12)5-20-23(17,18)19/h1-4,8-16H,5H2,(H2,17,18,19)/t8-,9-,10+,11-,12-/m1/s1", "name": "Arbutin 6-phosphate", "names": [ "Arbutin 6-phosphate", "Arbutin-6P" ] }, { "compound_id": "C06188", "inchi": "InChI=1S/C13H19O10P/c14-5-7-3-1-2-4-8(7)22-13-12(17)11(16)10(15)9(23-13)6-21-24(18,19)20/h1-4,9-17H,5-6H2,(H2,18,19,20)/t9-,10-,11+,12-,13-/m1/s1", "name": "Salicin 6-phosphate", "names": [ "Salicin 6-phosphate", "Salicin-6P" ] }, { "compound_id": "C06189", "inchi": "InChI=1S/C3H6O9P2/c4-3(5)2-1-10-13(6,7)12-14(8,9)11-2/h2H,1H2,(H,4,5)(H,6,7)(H,8,9)", "name": "Cyclic 2,3-bisphospho-D-glycerate", "names": [ "Cyclic 2,3-bisphospho-D-glycerate", "Cyclic 2,3-diphospho-D-glycerate", "Cyclic glycerate-2,3P2", "cDPG" ] }, { "compound_id": "C06192", "inchi": "InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12+,15-,16-/m1/s1", "name": "ADP-mannose", "names": [ "ADP-mannose", "APD-D-mannose" ] }, { "compound_id": "C06193", "inchi": "InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1", "name": "Guanosine 3'-phosphate", "names": [ "3'-GMP", "3'-Guanylic acid", "Gp", "Guanosine 3'-phosphate", "Guo-3'-P" ] }, { "compound_id": "C06194", "inchi": "InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1", "name": "2',3'-Cyclic GMP", "names": [ "2',3'-Cyclic GMP" ] }, { "compound_id": "C06195", "inchi": "InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)", "name": "Imidazolone", "names": [ "4-Imidazolone", "Imidazol-4-one", "Imidazolone" ] }, { "compound_id": "C06196", "inchi": "InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1", "name": "2'-Deoxyinosine 5'-phosphate", "names": [ "2'-Deoxyinosine 5'-phosphate", "dIMP" ] }, { "compound_id": "C06197", "inchi": "InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1", "name": "P1,P3-Bis(5'-adenosyl) triphosphate", "names": [ "Adenosine 5'-triphosphate 5'-adenosine", "ApppA", "P1,P3-Bis(5'-adenosyl) triphosphate" ] }, { "compound_id": "C06198", "inchi": "InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1", "name": "P1,P4-Bis(5'-uridyl) tetraphosphate", "names": [ "P1,P4-Bis(5'-uridyl) tetraphosphate", "UppppU" ] }, { "compound_id": "C06199", "inchi": "InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3", "name": "Hordenine", "names": [ "4-[2-(Dimethylamino)ethyl]phenol", "Hordenine" ] }, { "compound_id": "C06201", "inchi": "InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)/b5-3-", "name": "2,4-Dihydroxyhept-2-enedioate", "names": [ "2,4-Dihydroxyhept-2-1,7-dioate", "2,4-Dihydroxyhept-2-enedioate", "2,4-Dihydroxyhept-2-enedioic acid" ] }, { "compound_id": "C06202", "inchi": "InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H", "name": "Salicylaldehyde", "names": [ "2-Hydroxybenzaldehyde", "Salicylaldehyde", "o-Hydroxybenzaldehyde" ] }, { "compound_id": "C06203", "inchi": "InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)/b6-5+", "name": "trans-O-Hydroxybenzylidenepyruvate", "names": [ "(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate", "trans-O-Hydroxybenzylidenepyruvate" ] }, { "compound_id": "C06204", "inchi": "InChI=1S/C10H8O4/c11-9(12)10(13)6-5-7-3-1-2-4-8(7)14-10/h1-6,13H,(H,11,12)", "name": "2-Hydroxychromene-2-carboxylate", "names": [ "2-Hydroxy-2H-chromene-2-carboxylate", "2-Hydroxychromene-2-carboxylate" ] }, { "compound_id": "C06205", "inchi": "InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H", "name": "1,2-Dihydronaphthalene-1,2-diol", "names": [ "1,2-Dihydronaphthalene-1,2-diol" ] }, { "compound_id": "C06206", "inchi": "InChI=1S/C7H7O5P/c8-7(12-13(9,10)11)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)", "name": "Benzoyl phosphate", "names": [ "Benzoyl phosphate" ] }, { "compound_id": "C06207", "inchi": "InChI=1S/C8H8O4/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)", "name": "2,6-Dihydroxyphenylacetate", "names": [ "2,6-Dihydroxyphenylacetate" ] }, { "compound_id": "C06210", "inchi": "InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b3-2-,6-4+", "name": "2-Hydroxy-6-keto-2,4-heptadienoate", "names": [ "2-Hydroxy-6-keto-2,4-heptadienoate", "2-Hydroxy-6-oxo-hept-2,4-dienoate" ] }, { "compound_id": "C06212", "inchi": "InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3", "name": "N-Methylserotonin", "names": [ "N-Methylserotonin" ] }, { "compound_id": "C06213", "inchi": "InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3", "name": "N-Methyltryptamine", "names": [ "1-Methyl-2-(3-indolyl)ethylamine", "N-Methylindoleethylamine", "N-Methyltryptamine" ] }, { "compound_id": "C06215", "inchi": "InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1", "name": "Levan", "names": [ "(2,6--d-fructosyl)n", "(2,6--d-fructosyl)n+1", "(2,6-beta-D-Fructosyl)n", "(2,6-beta-D-Fructosyl)n+1", "2,6-beta-D-Fructan", "Levan", "Levan n" ] }, { "compound_id": "C06216", "inchi": "InChI=1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30?,31?,32?,33?,34?,35?,36-,37?,38?,39?,40?,41?,42?/m1/s1", "name": "Celloheptaose", "names": [ "Celloheptaose" ] }, { "compound_id": "C06217", "inchi": "InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26?,27?,28?,29?,30?,31-,32?,33?,34?,35?,36?/m1/s1", "name": "Cellohexaose", "names": [ "Cellohexaose" ] }, { "compound_id": "C06218", "inchi": "InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22?,23?,24?,25?,26-,27?,28?,29?,30?/m1/s1", "name": "Cellopentaose", "names": [ "Cellopentaose" ] }, { "compound_id": "C06219", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14?,15?,16-,17?,18?/m1/s1", "name": "Cellotriose", "names": [ "Cellotriose" ] }, { "compound_id": "C06222", "inchi": "InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h3,5-9,11-13H,1-2H2,(H2,14,15,16)/t3-,5-,6-,7-/m1/s1", "name": "Sedoheptulose 1-phosphate", "names": [ "Sedoheptulose 1-phosphate", "altro-Heptulose 1-phosphate" ] }, { "compound_id": "C06224", "inchi": "InChI=1S/C8H8O2/c1-2-6-3-4-7(9)8(10)5-6/h2-5,9-10H,1H2", "name": "3,4-Dihydroxystyrene", "names": [ "3,4-Dihydroxystyrene" ] }, { "compound_id": "C06227", "inchi": null, "name": "Fe(III)hydroxamate", "names": [ "Fe(III)hydroxamate", "Fe(III)hydroxamic acid" ] }, { "compound_id": "C06228", "inchi": "InChI=1S/C27H42N9O12.Fe/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39;/h19-21H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44);/q-3;+3/t19-,20-,21-;/m0./s1", "name": "Ferrichrome", "names": [ "Ferrichrome" ] }, { "compound_id": "C06229", "inchi": "InChI=1S/2C6H8O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+3/p-6", "name": "Fe(III)dicitrate", "names": [ "Fe(III)dicitrate", "Iron(III)dicitrate" ] }, { "compound_id": "C06230", "inchi": "InChI=1S/C30H27N3O15.Fe/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38;/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42);/q;+3/p-6/t16-,17-,18-;/m0./s1", "name": "Fe-enterobactin", "names": [ "Fe-enterobactin", "Fe-enterochlin" ] }, { "compound_id": "C06231", "inchi": "InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1", "name": "Ectoine", "names": [ "Ectoine", "L-Ectoine" ] }, { "compound_id": "C06232", "inchi": "InChI=1/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2/fMo.2HO.2O/h;2*1h;;/qm;2*-1;;", "name": "Molybdate", "names": [ "Molybdate" ] }, { "compound_id": "C06234", "inchi": "InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3?,4-/m0/s1", "name": "4-Methyl-L-glutamate", "names": [ "4-Methyl-L-glutamate" ] }, { "compound_id": "C06238", "inchi": "InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5?/m0/s1", "name": "L-Arabinose 1-phosphate", "names": [ "L-Arabinose 1-phosphate" ] }, { "compound_id": "C06239", "inchi": "InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1", "name": "alpha-L-Arabinose 1-phosphate", "names": [ "alpha-L-Arabinose 1-phosphate" ] }, { "compound_id": "C06240", "inchi": "InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8+,9-,10-,11+,12-,13+,14-,16-/m1/s1", "name": "UDP-N-acetyl-D-mannosaminouronate", "names": [ "UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate", "UDP-N-acetyl-D-mannosaminouronate", "UDP-N-acetyl-D-mannosaminuronic acid" ] }, { "compound_id": "C06241", "inchi": "InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6?,7+,8-,9+,11?/m0/s1", "name": "N-Acetylneuraminate 9-phosphate", "names": [ "N-Acetylneuraminate 9-phosphate" ] }, { "compound_id": "C06244", "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)", "name": "Acetamide", "names": [ "Acetamide" ] }, { "compound_id": "C06246", "inchi": null, "name": "Gla protein", "names": [ "Gla protein", "Peptidyl-4-carboxyglutamate" ] }, { "compound_id": "C06247", "inchi": null, "name": "Gla protein precursor", "names": [ "Gla protein precursor", "Peptidyl-glutamate" ] }, { "compound_id": "C06248", "inchi": "InChI=1S/C5H12O10P2/c6-2-4-3(7)1-5(13-4)14-17(11,12)15-16(8,9)10/h3-7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4+,5?/m0/s1", "name": "D-Ribose 1-diphosphate", "names": [ "D-Ribose 1-diphosphate" ] }, { "compound_id": "C06249", "inchi": null, "name": "Apo-[carboxylase]", "names": [ "Apo-[carboxylase]" ] }, { "compound_id": "C06250", "inchi": null, "name": "Holo-[carboxylase]", "names": [ "Biotin-carboxyl-carrier protein", "Holo-[carboxylase]" ] }, { "compound_id": "C06251", "inchi": "InChI=1S/C96H176N2O38P2/c1-6-11-16-21-26-31-36-41-46-51-66(101)56-76(107)97-81-89(130-79(110)57-67(102)52-47-42-37-32-27-22-17-12-7-2)85(114)74(128-92(81)136-138(122,123)124)64-125-91-82(98-77(108)59-69(54-49-44-39-34-29-24-19-14-9-4)127-78(109)55-50-45-40-35-30-25-20-15-10-5)90(131-80(111)58-68(103)53-48-43-38-33-28-23-18-13-8-3)88(135-137(119,120)121)75(129-91)65-126-95(93(115)116)61-73(84(113)87(133-95)72(106)63-100)132-96(94(117)118)60-70(104)83(112)86(134-96)71(105)62-99/h66-75,81-92,99-106,112-114H,6-65H2,1-5H3,(H,97,107)(H,98,108)(H,115,116)(H,117,118)(H2,119,120,121)(H2,122,123,124)/t66?,67?,68?,69?,70-,71-,72-,73?,74-,75-,81-,82-,83?,84?,85-,86-,87-,88-,89-,90-,91-,92-,95-,96-/m1/s1", "name": "Lauroyl-KDO2-lipid IV(A)", "names": [ "Lauroyl-KDO2-lipid IV(A)" ] }, { "compound_id": "C06254", "inchi": null, "name": "Lysophospholipid", "names": [ "Lysophospholipid" ] }, { "compound_id": "C06255", "inchi": "InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)", "name": "2-Oxopentanoic acid", "names": [ "2-Oxopentanoate", "2-Oxopentanoic acid", "2-Oxovalerate", "alpha-Ketovaleric acid" ] }, { "compound_id": "C06257", "inchi": "InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h4-6,8-9H,2H2,1H3/t4-,5-/m1/s1", "name": "1-Deoxy-D-xylulose", "names": [ "1-Deoxy-D-xylulose" ] }, { "compound_id": "C06258", "inchi": null, "name": "Globin", "names": [ "Globin" ] }, { "compound_id": "C06259", "inchi": null, "name": "Ferrocytochrome b", "names": [ "Ferrocytochrome b" ] }, { "compound_id": "C06260", "inchi": null, "name": "Ferricytochrome b", "names": [ "Ferricytochrome b" ] }, { "compound_id": "C06262", "inchi": null, "name": "Phosphorus", "names": [ "P", "Phosphorus" ] }, { "compound_id": "C06263", "inchi": null, "name": "Silicon", "names": [ "Si", "Silicon" ] }, { "compound_id": "C06264", "inchi": null, "name": "Aluminium", "names": [ "Al", "Aluminium" ] }, { "compound_id": "C06265", "inchi": null, "name": "Carbon", "names": [ "C", "Carbon" ] }, { "compound_id": "C06266", "inchi": null, "name": "Boron", "names": [ "B", "Boron" ] }, { "compound_id": "C06267", "inchi": null, "name": "Vanadium", "names": [ "V", "Vanadium" ] }, { "compound_id": "C06268", "inchi": "InChI=1S/Cr", "name": "Chromium", "names": [ "Chromium", "Cr" ] }, { "compound_id": "C06269", "inchi": "InChI=1S/AsH3/h1H3", "name": "Arsenic", "names": [ "Arsenic", "As" ] }, { "compound_id": "C06272", "inchi": null, "name": "Gal-beta1->3GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", "names": [ "Ceramidetetrahexoside (beta 1->3)", "Ceramidetetrasaccharide (beta1->3)", "Gal-beta1->3GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", "Paragloboside (beta 1->3)" ] }, { "compound_id": "C06273", "inchi": null, "name": "Gal-beta1->4GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", "names": [ "Ceramidetetrahexoside (beta 1->4)", "Ceramidetetrasaccharide (beta 1->4)", "Gal-beta1->4GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", "Paragloboside (beta 1->4)" ] }, { "compound_id": "C06297", "inchi": null, "name": "NeuGc-alpha2->8NeuGc2->3Gal-beta1->4Glc-beta1->1'Cer", "names": [ "NeuGc-alpha2->8NeuGc2->3Gal-beta1->4Glc-beta1->1'Cer", "NeuGc-alpha2->8NeuGc2->3LacCer" ] }, { "compound_id": "C06299", "inchi": null, "name": "NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3LacCer", "names": [ "NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3Gal-beta1->4Glc-beta1->1'Cer", "NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3LacCer" ] }, { "compound_id": "C06300", "inchi": null, "name": "NeuGc-alpha2->8NeuGc-alpha2->8NeuGc2->3LacCer", "names": [ "NeuGc-alpha2->8NeuGc-alpha2->8NeuGc2->3Gal-beta1->4Glc-beta1->1'Cer", "NeuGc-alpha2->8NeuGc-alpha2->8NeuGc2->3LacCer" ] }, { "compound_id": "C06302", "inchi": null, "name": "GalNAc-beta1->4(NeuGc-alpha2->8NeuGc2->3)LacCer", "names": [ "GalNAc-beta1->4(NeuGc-alpha2->8NeuGc2->3)Gal-beta1->4Glc-beta1->1'Cer", "GalNAc-beta1->4(NeuGc-alpha2->8NeuGc2->3)LacCer" ] }, { "compound_id": "C06304", "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1", "name": "(+)-Comphene", "names": [ "(+)-Camphene", "(+)-Comphene" ] }, { "compound_id": "C06305", "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1", "name": "(-)-Comphene", "names": [ "(-)-Camphene", "(-)-Comphene" ] }, { "compound_id": "C06306", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1", "name": "(+)-alpha-Pinene", "names": [ "(+)-alpha-Pinene", "(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene" ] }, { "compound_id": "C06307", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1", "name": "(-)-beta-Pinene", "names": [ "(-)-beta-Pinene", "(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane" ] }, { "compound_id": "C06308", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1", "name": "(-)-alpha-Pinene", "names": [ "(-)-alpha-Pinene", "(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene" ] }, { "compound_id": "C06309", "inchi": "InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21?,22-,23+,24+,27-,28-,29+,30+/m0/s1", "name": "Diplopterol", "names": [ "22-Hopanol", "Diplopterol", "Hopan-22-ol" ] }, { "compound_id": "C06310", "inchi": "InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1", "name": "Diploptene", "names": [ "22(29)-Hopene", "Diploptene", "Hop-22(29)-ene" ] }, { "compound_id": "C06311", "inchi": "InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6-/m1/s1", "name": "Galactitol 1-phosphate", "names": [ "D-Galactitol 1-phosphate", "Galactitol 1-phosphate", "L-Galactitol 6-phosphate" ] }, { "compound_id": "C06312", "inchi": "InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6?/m0/s1", "name": "L-Tagatose 6-phosphate", "names": [ "L-Tagatose 6-phosphate" ] }, { "compound_id": "C06313", "inchi": "InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)", "name": "Biopterin", "names": [ "2-Amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone", "Biopterin" ] }, { "compound_id": "C06314", "inchi": "InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1", "name": "Lipoxin A4", "names": [ "(7E,9E,11Z,13E)-(5S,6R,15S)-5,6,15-Trihydroxyicosa-7,9,11,13-tetraenoic acid", "5S,6R,15S-Trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid", "LXA4", "Lipoxin A4" ] }, { "compound_id": "C06315", "inchi": "InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1", "name": "Lipoxin B4", "names": [ "(6E,8Z,10E,12E)-(5S,14R,15S)-Trihydroxyicosa-6,8,10,12-tetraenoic acid", "5S,14R,15S-Trihydroxy-6E,8Z,10E,12E-eicosatetraenoic acid", "LXB4", "Lipoxin B4" ] }, { "compound_id": "C06316", "inchi": "InChI=1S/C5H6O5/c6-1-2-3(7)4(8)5(9)10-2/h2,6-8H,1H2/t2-/m1/s1", "name": "Dehydro-D-arabinono-1,4-lactone", "names": [ "(5R)-3,4-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one", "Dehydro-D-arabinono-1,4-lactone" ] }, { "compound_id": "C06317", "inchi": "InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3", "name": "Vanillyl alcohol", "names": [ "4-Hydroxy-3-methoxy-benzenemethanol", "4-Hydroxy-3-methoxybenzenemethanol", "4-Hydroxy-3-methoxybenzyl alcohol", "Vanillyl alcohol" ] }, { "compound_id": "C06318", "inchi": "InChI=1S/C8H8O6/c9-5-3-4(6(10)11)1-2-8(5,14)7(12)13/h1-3,5,9,14H,(H,10,11)(H,12,13)/t5-,8+/m0/s1", "name": "(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate", "names": [ "(1R,6S)-Dihydroxycyclohexa-2,4-diene-1,4-dicarboxylate", "(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate", "Terephthalate-1,2-cis-dihydrodiol", "cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,4-dicarboxylate" ] }, { "compound_id": "C06319", "inchi": "InChI=1S/C44H56N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,25,39,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b27-17-/t23-,25+,39?,40-,41+,42+,43+,44+/m1/s1", "name": "Precorrin 6Y", "names": [ "Precorrin 6B", "Precorrin 6Y" ] }, { "compound_id": "C06320", "inchi": "InChI=1S/C44H54N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b27-17-/t23-,40-,41+,42+,43+,44+/m1/s1", "name": "Precorrin 6X", "names": [ "Precorrin 6A", "Precorrin 6X" ] }, { "compound_id": "C06321", "inchi": "InChI=1S/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)/t5-,7+/m0/s1", "name": "(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate", "names": [ "(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate", "cis-1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate", "cis-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid" ] }, { "compound_id": "C06322", "inchi": "InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4,6-7,14-15,17,20-22,26,37-38H,3,5,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", "name": "S-1,5-Cyclohexadiene-1-carboxylate coenzymeA", "names": [ "Cyclohexa-1,5-diene-1-carbonyl-CoA", "Cyclohexa-1,5-dienecarbonyl-CoA", "S-1,5-Cyclohexadiene-1-carboxylate coenzymeA", "cyclohexa-1,5-diene-1-carboxyl-coa" ] }, { "compound_id": "C06323", "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H", "name": "Isoquinoline", "names": [ "2-Benzazine", "Benzo[c]pyridine", "Isoquinoline" ] }, { "compound_id": "C06324", "inchi": "InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)", "name": "Isocarbostyril", "names": [ "1(2H)-Isoquinolinone", "Isocarbostyril", "Isoquinolin-1(2H)-one" ] }, { "compound_id": "C06325", "inchi": "InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)", "name": "2-Quinolinecarboxylic acid", "names": [ "2-Quinolinecarboxylate", "2-Quinolinecarboxylic acid", "Quinaldate", "Quinaldic acid", "Quinaldinic acid" ] }, { "compound_id": "C06326", "inchi": "InChI=1S/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1", "name": "(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate", "names": [ "(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate" ] }, { "compound_id": "C06327", "inchi": "InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1", "name": "Chelirubine", "names": [ "Chelirubine" ] }, { "compound_id": "C06328", "inchi": "InChI=1S/C6H5ClO3/c7-4-1-3(8)2-5(9)6(4)10/h1-2,8-10H", "name": "6-Chlorobenzene-1,2,4-triol", "names": [ "6-Chlorobenzene-1,2,4-triol", "6-Chlorohydroxyquinol" ] }, { "compound_id": "C06329", "inchi": "InChI=1S/C6H5ClO5/c7-4(6(11)12)1-3(8)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)/b4-1+", "name": "2-Chloromaleylacetate", "names": [ "2-Chloromaleylacetate" ] }, { "compound_id": "C06330", "inchi": "InChI=1S/C9H7NO2/c11-8-5-10-7-4-2-1-3-6(7)9(8)12/h1-5,11H,(H,10,12)", "name": "Quinoline-3,4-diol", "names": [ "3,4-Dihydroxyquinoline", "Quinoline-3,4-diol" ] }, { "compound_id": "C06331", "inchi": "InChI=1S/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13)", "name": "2-Methylquinoline-3,4-diol", "names": [ "2-Methylquinoline-3,4-diol" ] }, { "compound_id": "C06332", "inchi": "InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)", "name": "N-Acetylanthranilate", "names": [ "2-(Acetylamino)-benzoic acid", "N-Acetylanthranilate", "N-Acetylanthranilic acid" ] }, { "compound_id": "C06333", "inchi": "InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)", "name": "2-Aminobenzenesulfonate", "names": [ "2-Aminobenzenesulfonate", "2-Aminobenzenesulfonic acid", "Orthanilic acid", "o-Aminobenzenesulfonic acid" ] }, { "compound_id": "C06334", "inchi": "InChI=1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)", "name": "Metanilic acid", "names": [ "3-Aminobenzenesulfonate", "3-Aminobenzenesulfonic acid", "Metanilic acid", "m-Aminobenzenesulfonic acid" ] }, { "compound_id": "C06335", "inchi": "InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)", "name": "4-Aminobenzenesulfonate", "names": [ "4-Aminobenzenesulfonate", "4-Aminobenzenesulfonic acid", "Sulfanilic acid", "p-Aminobenzenesulfonic acid" ] }, { "compound_id": "C06336", "inchi": "InChI=1S/C6H6O5S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)", "name": "3-Sulfocatechol", "names": [ "2,3-Dihydroxybenzenesulfonate", "3-Sulfocatechol" ] }, { "compound_id": "C06337", "inchi": "InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)", "name": "Terephthalate", "names": [ "1,4-Benzenedicarboxylic acid", "Terephthalate", "Terephthalic acid" ] }, { "compound_id": "C06338", "inchi": "InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)", "name": "Quinolin-2-ol", "names": [ "2-Hydroxyquinoline", "2-Quinolinol", "2-Quinolone", "Quinolin-2-ol" ] }, { "compound_id": "C06339", "inchi": "InChI=1S/C9H9NO3/c11-7-3-2-6-5(9(7)13)1-4-8(12)10-6/h1-4,7,9,11,13H,(H,10,12)", "name": "2,5,6-Trihydroxy-5,6-dihydroquinoline", "names": [ "2,5,6-Trihydroxy-5,6-dihydroquinoline" ] }, { "compound_id": "C06341", "inchi": "InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1", "name": "7alpha,27-Dihydroxycholesterol", "names": [ "7alpha,27-Dihydroxycholesterol", "Cholest-5-ene-3beta,7alpha,26-triol", "Cholest-5-ene-3beta,7alpha,27-triol" ] }, { "compound_id": "C06342", "inchi": "InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)", "name": "Quinolin-2,8-diol", "names": [ "Quinolin-2,8-diol" ] }, { "compound_id": "C06343", "inchi": "InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)", "name": "4-Hydroxyquinoline", "names": [ "4-Hydroxyquinoline", "Quinolin-4-ol" ] }, { "compound_id": "C06344", "inchi": "InChI=1S/C10H9NO2/c1-6-5-7-3-2-4-8(12)9(7)11-10(6)13/h2-5,12H,1H3,(H,11,13)", "name": "3-Methyl-quinolin-2,8-diol", "names": [ "3-Methyl-quinolin-2,8-diol" ] }, { "compound_id": "C06345", "inchi": "InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)", "name": "3-Methyl-quinolin-2-ol", "names": [ "3-Methyl-quinolin-2-ol" ] }, { "compound_id": "C06346", "inchi": "InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2", "name": "(R,S)-Norcoclaurine", "names": [ "(R,S)-Norcoclaurine", "6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline", "Higenamine", "Norcoclaurine" ] }, { "compound_id": "C06347", "inchi": "InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m1/s1", "name": "(R)-Norcoclaurine", "names": [ "(+)-Demethylcoclaurine", "(R)-Norcoclaurine", "6,7-Dihydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline" ] }, { "compound_id": "C06348", "inchi": "InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3", "name": "(R,S)-Coclaurine", "names": [ "(R,S)-Coclaurine", "6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline", "Coclaurine" ] }, { "compound_id": "C06349", "inchi": "InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m1/s1", "name": "(R)-Coclaurine", "names": [ "(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol", "(R)-Coclaurine", "6-Methoxy-7-hydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline", "Machiline" ] }, { "compound_id": "C06350", "inchi": "InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2", "name": "Tetrahydropapaveroline", "names": [ "(R,S)-Norlaudanosoline", "Norlaudanosoline", "Tetrahydropapaveroline" ] }, { "compound_id": "C06351", "inchi": "InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m1/s1", "name": "(R)-Norlaudanosoline", "names": [ "(R)-Norlaudanosoline", "(R)-Tetrahydropapaveroline" ] }, { "compound_id": "C06352", "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6-,7-/m0/s1", "name": "4-O-Methyl-myo-inositol", "names": [ "1D-4-O-Methyl-myo-inositol", "4-O-Methyl-myo-inositol" ] }, { "compound_id": "C06353", "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6-,7-/m1/s1", "name": "6-O-Methyl-myo-inositol", "names": [ "1D-6-O-Methyl-myo-inositol", "6-O-Methyl-myo-inositol" ] }, { "compound_id": "C06354", "inchi": "InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H", "name": "Benzophenone", "names": [ "Benzophenone", "Diphenyl ketone" ] }, { "compound_id": "C06355", "inchi": "InChI=1S/C13H10O5/c14-8-3-1-2-7(4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H", "name": "2,3',4,6-Tetrahydroxybenzophenone", "names": [ "2,3',4,6-Tetrahydroxybenzophenone" ] }, { "compound_id": "C06356", "inchi": "InChI=1S/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H", "name": "2,4,6-Trihydroxybenzophenone", "names": [ "2,4,6-Trihydroxybenzophenone", "Phenyl(2,4,6-trihydroxyphenyl)-methanone" ] }, { "compound_id": "C06357", "inchi": null, "name": "Alkyl cinnamate", "names": [ "Alkyl cinnamate" ] }, { "compound_id": "C06358", "inchi": "InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+", "name": "Methyl cinnamate", "names": [ "3-Phenyl-2-propenoic acid methyl", "Methyl cinnamate" ] }, { "compound_id": "C06359", "inchi": "InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+", "name": "Ethyl cinnamate", "names": [ "3-Phenylpropenoic acid ethyl", "Ethyl cinnamate" ] }, { "compound_id": "C06360", "inchi": "InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+", "name": "Propyl cinnamate", "names": [ "3-Phenylpropenoic acid propyl ester", "Propyl cinnamate" ] }, { "compound_id": "C06361", "inchi": null, "name": "Anthocyanidin-3,5-diglucoside", "names": [ "Anthocyanidin-3,5-diglucoside" ] }, { "compound_id": "C06362", "inchi": null, "name": "Hydroxycinnamoyl-CoA", "names": [ "Hydroxycinnamoyl-CoA" ] }, { "compound_id": "C06363", "inchi": null, "name": "Anthocyanidin 3-glucoside-5-hydroxycinnamoylglucoside", "names": [ "Anthocyanidin 3-glucoside-5-hydroxycinnamoylglucoside" ] }, { "compound_id": "C06364", "inchi": null, "name": "1,2-Diacyl-3-O-(alpha-D-glucopyranosyl)-sn-glycerol", "names": [ "1,2-Diacyl-3-O-(alpha-D-glucopyranosyl)-sn-glycerol" ] }, { "compound_id": "C06365", "inchi": null, "name": "Glc-alpha1->2Glc-alpha1->3acyl2Gro", "names": [ "1,2-Diacyl-3-O-[alpha-D-glucopyranosyl-(1->2)-O-alpha-D-glucopyranosyl]-sn-glycerol", "Glc-alpha1->2Glc-alpha1->3acyl2Gro", "Glcalpha1->2Glcalpha1->3acyl2Gro" ] }, { "compound_id": "C06366", "inchi": "InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2", "name": "sym-Homospermidine", "names": [ "Homospermidine", "sym-Homospermidine" ] }, { "compound_id": "C06367", "inchi": "InChI=1S/C4H5O7P/c1-2(3(5)6)11-12(9,10)4(7)8/h1H2,(H,5,6)(H,7,8)(H,9,10)", "name": "1-Carboxyvinyl carboxyphosphonate", "names": [ "1-Carboxyvinyl carboxyphosphonate", "Carboxyphosphonoenolpyruvate" ] }, { "compound_id": "C06368", "inchi": "InChI=1S/C3H5O5P/c4-2(3(5)6)1-9(7)8/h9H,1H2,(H,5,6)(H,7,8)", "name": "3-(Hydrohydroxyphosphoryl)pyruvate", "names": [ "(Hydroxyphosphinyl)pyruvate", "3-(Hydrohydroxyphosphoryl)pyruvate" ] }, { "compound_id": "C06369", "inchi": "InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1", "name": "2-Deoxy-D-glucose 6-phosphate", "names": [ "2-Deoxy-D-glucose 6-phosphate" ] }, { "compound_id": "C06370", "inchi": null, "name": "alpha-D-Glucuronoside", "names": [ "alpha-D-Glucuronoside" ] }, { "compound_id": "C06371", "inchi": "InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20?,21-,22+,23?,24+,25+,26?/m1/s1", "name": "Lacto-N-tetraose", "names": [ "Lacto-N-tetraose", "beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc" ] }, { "compound_id": "C06372", "inchi": "InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13?,14+/m1/s1", "name": "Lacto-N-biose", "names": [ "Lacto-N-biose", "beta-D-Gal-(1->3)-D-GlcNAc", "beta-D-Galactopyranosyl-(1->3)-N-acetyl-D-glucosamine" ] }, { "compound_id": "C06374", "inchi": null, "name": "Phthalylamide", "names": [ "Phthalyl (N substituted) amide", "Phthalylamide" ] }, { "compound_id": "C06376", "inchi": "InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6+,7-,8?/m1/s1", "name": "N-Acetyl-D-galactosamine 6-phosphate", "names": [ "N-Acetyl-D-galactosamine 6-phosphate" ] }, { "compound_id": "C06377", "inchi": "InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1", "name": "D-Galactosamine 6-phosphate", "names": [ "D-Galactosamine 6-phosphate" ] }, { "compound_id": "C06378", "inchi": null, "name": "N-Acyl-D-amino acid", "names": [ "N-Acyl-D-amino acid" ] }, { "compound_id": "C06379", "inchi": null, "name": "N-Acyl-D-glutamate", "names": [ "N-Acyl-D-glutamate" ] }, { "compound_id": "C06380", "inchi": null, "name": "N-Acyl-D-aspartate", "names": [ "N-Acyl-D-aspartate" ] }, { "compound_id": "C06381", "inchi": "InChI=1S/C3H8N4O2/c4-2(8)6-1-7-3(5)9/h1H2,(H3,4,6,8)(H3,5,7,9)", "name": "Methylenediurea", "names": [ "Methylenediurea" ] }, { "compound_id": "C06382", "inchi": "InChI=1S/C3H7N3O3/c4-2(7)5-1-6-3(8)9/h6H,1H2,(H,8,9)(H3,4,5,7)", "name": "N-(Carboxyaminomethyl)urea", "names": [ "N-(Carboxyaminomethyl)urea" ] }, { "compound_id": "C06383", "inchi": "InChI=1S/C2H7N3O/c3-1-5-2(4)6/h1,3H2,(H3,4,5,6)", "name": "N-(Aminomethyl)urea", "names": [ "N-(Aminomethyl)urea" ] }, { "compound_id": "C06384", "inchi": "InChI=1S/C2H6N2O2/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)", "name": "N-(Hydroxymethyl)urea", "names": [ "N-(Hydroxymethyl)urea" ] }, { "compound_id": "C06385", "inchi": "InChI=1S/C5H12N6O3/c6-3(12)8-1-10-5(14)11-2-9-4(7)13/h1-2H2,(H3,6,8,12)(H3,7,9,13)(H2,10,11,14)", "name": "Dimethylenetriurea", "names": [ "Dimethylenetriurea" ] }, { "compound_id": "C06386", "inchi": "InChI=1S/C7H16N8O4/c8-4(16)10-1-12-6(18)14-3-15-7(19)13-2-11-5(9)17/h1-3H2,(H3,8,10,16)(H3,9,11,17)(H2,12,14,18)(H2,13,15,19)", "name": "Trimethylenetetraurea", "names": [ "Trimethylenetetraurea" ] }, { "compound_id": "C06387", "inchi": "InChI=1S/C28H39ClN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", "name": "4-Chlorobenzoyl-CoA", "names": [ "4-Chlorobenzoyl-CoA" ] }, { "compound_id": "C06388", "inchi": null, "name": "2-Aryl-2-methylmalonate", "names": [ "2-Aryl-2-methylmalonate" ] }, { "compound_id": "C06389", "inchi": null, "name": "2-Arylpropionate", "names": [ "2-Arylpropionate" ] }, { "compound_id": "C06390", "inchi": "InChI=1S/C21H32O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-19,23-24H,5-11H2,1-3H3/t14-,15+,16-,17?,18+,19-,20-,21-/m0/s1", "name": "16-alpha-Hydroxypregnenolone", "names": [ "16-alpha-Hydroxypregnenolone", "16alpha-Hydroxypregnenolone" ] }, { "compound_id": "C06391", "inchi": "InChI=1S/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1", "name": "Algestone", "names": [ "Algestone" ] }, { "compound_id": "C06392", "inchi": "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18?,19-,20-,21+/m0/s1", "name": "16,17-Didehydropregnenolone", "names": [ "16,17-Didehydropregnenolone" ] }, { "compound_id": "C06393", "inchi": "InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)", "name": "2,3-Diaminopropanoate", "names": [ "2,3-Diaminopropanoate", "2,3-Diaminopropanoic acid", "2,3-Diaminopropionate", "2,3-Diaminopropionic acid" ] }, { "compound_id": "C06394", "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1", "name": "delta-Cadinene", "names": [ "(+)-delta-Cadinene", "delta-Cadinene" ] }, { "compound_id": "C06395", "inchi": null, "name": "[Protein]-L-serine", "names": [ "[Protein]-L-serine" ] }, { "compound_id": "C06396", "inchi": null, "name": "[Protein]-D-serine", "names": [ "[Protein]-D-serine" ] }, { "compound_id": "C06397", "inchi": "InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17?/m1/s1", "name": "ADP-D-glycero-D-manno-heptose", "names": [ "ADP-D-glycero-D-manno-heptose" ] }, { "compound_id": "C06398", "inchi": "InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6+,8+,9-,10-,11+,12-,13+,16+,17?/m0/s1", "name": "ADP-L-glycero-D-manno-heptose", "names": [ "ADP-L-glycero-D-manno-heptose" ] }, { "compound_id": "C06399", "inchi": "InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,48H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b28-18-,38-21-,39-22-/t23-,24-,25-,26+,40?,42-,43+,44+,45+/m1/s1", "name": "Hydrogenobyrinate", "names": [ "Hydrogenobyrinate", "Hydrogenobyrinic acid" ] }, { "compound_id": "C06400", "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)9(24)12(27)16(30-4)33-15-6(3-21)32-18(14(29)11(15)26)34-17-13(28)10(25)8(23)5(2-20)31-17/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16-,17-,18-/m1/s1", "name": "1-alpha-D-{(1,4)-alpha-D-Glucosyl}(n-1)-alpha-D-glucopyranoside", "names": [ "1-alpha-D-{(1,4)-alpha-D-Glucosyl}(n-1)-alpha-D-glucopyranoside", "4-alpha-D-(1,4-alpha-D-Glucanosyl)n trehalose" ] }, { "compound_id": "C06403", "inchi": null, "name": "[Ribulose-1,5-bisphosphate-carboxylase]-lysine", "names": [ "[Ribulose-1,5-bisphosphate-carboxylase]-lysine" ] }, { "compound_id": "C06404", "inchi": null, "name": "[Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine", "names": [ "[Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine" ] }, { "compound_id": "C06406", "inchi": "InChI=1S/C43H50N4O17/c1-40(17-37(60)61)23(6-10-33(52)53)28-15-27-21(12-35(56)57)19(4-8-31(48)49)25(44-27)14-26-20(5-9-32(50)51)22(13-36(58)59)39(46-26)42(3,63)43-41(2,18-38(62)64-43)24(7-11-34(54)55)29(47-43)16-30(40)45-28/h15-16,23-24,44,46-47,63H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/b28-15-,29-16-/t23-,24-,40+,41+,42+,43-/m1/s1", "name": "Precorrin 3B", "names": [ "Precorrin 3B" ] }, { "compound_id": "C06407", "inchi": "InChI=1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/b29-17-/t24-,41-,42+,43+,44?/m1/s1", "name": "Precorrin 4", "names": [ "Precorrin 4" ] }, { "compound_id": "C06408", "inchi": "InChI=1S/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b39-22-/t21-,25+,26+,27-,40?,41+,42-,43-,44-,45-/m0/s1", "name": "Precorrin 8X", "names": [ "Precorrin 8", "Precorrin 8X" ] }, { "compound_id": "C06409", "inchi": null, "name": "[Methionine synthase]-cob(II)alamin", "names": [ "[Methionine synthase]-cob(II)alamin" ] }, { "compound_id": "C06410", "inchi": null, "name": "[Methionine synthase]-methylcob(I)alamin", "names": [ "[Methionine synthase]-methylcob(I)alamin" ] }, { "compound_id": "C06412", "inchi": null, "name": "Palmitoyl-protein", "names": [ "Palmitoyl-protein" ] }, { "compound_id": "C06413", "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H", "name": "Quinoline", "names": [ "Benzo[b]pyridine", "Quinoline" ] }, { "compound_id": "C06414", "inchi": "InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)", "name": "4-Quinolinecarboxylic acid", "names": [ "4-Quinolinecarboxylic acid", "Cinchonic acid", "Quinoline-4-carboxylate", "Quinoline-4-carboxylic acid" ] }, { "compound_id": "C06415", "inchi": "InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)", "name": "2(1H)-Quinolinone", "names": [ "2(1H)-Quinolinone", "Quinolin-2(1H)-one" ] }, { "compound_id": "C06416", "inchi": "InChI=1/C45H54N4O17/c1-21(50)45-40-26(15-37(61)62)41(2,13-12-35(57)58)30(47-40)16-27-22(6-9-32(51)52)25(14-36(59)60)44(5,48-27)18-29-23(7-10-33(53)54)42(3,19-38(63)64)31(46-29)17-28(49-45)24(8-11-34(55)56)43(45,4)20-39(65)66/h17,24,49H,6-16,18-20H2,1-5H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/b28-17-/t24-,41-,42+,43+,44+,45?/m1/s1/f/h51,53,55,57,59,61,63,65H", "name": "Precorrin 5", "names": [ "Precorrin 5" ] }, { "compound_id": "C06417", "inchi": "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1", "name": "D-Valine", "names": [ "(R)-2-Amino-3-methylbutyric acid", "D-Valine" ] }, { "compound_id": "C06418", "inchi": "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1", "name": "D-Isoleucine", "names": [ "(2R,3R)-2-Amino-3-methylvaleric acid", "D-Isoleucine" ] }, { "compound_id": "C06419", "inchi": "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1", "name": "D-Histidine", "names": [ "(R)-alpha-Amino-1H-imidazole-4-propionic acid", "D-Histidine" ] }, { "compound_id": "C06420", "inchi": "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1", "name": "D-Tyrosine", "names": [ "(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid", "(R)-3-(p-Hydroxyphenyl)alanine", "D-Tyrosine" ] }, { "compound_id": "C06421", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10?,11+,12?/m1/s1", "name": "alpha-Cellobiose", "names": [ "1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose", "alpha-Cellobiose" ] }, { "compound_id": "C06422", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10?,11-,12?/m1/s1", "name": "beta-Cellobiose", "names": [ "1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose", "beta-Cellobiose" ] }, { "compound_id": "C06423", "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)", "name": "Octanoic acid", "names": [ "Caprylic acid", "Octanoic acid", "Octylic acid", "n-Octanoic acid", "n-octanoic acid" ] }, { "compound_id": "C06424", "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)", "name": "Tetradecanoic acid", "names": [ "Myristic acid", "Tetradecanoate", "Tetradecanoic acid" ] }, { "compound_id": "C06425", "inchi": "InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)", "name": "Icosanoic acid", "names": [ "Arachidic acid", "Eicosanoic acid", "Icosanoic acid" ] }, { "compound_id": "C06426", "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-", "name": "(6Z,9Z,12Z)-Octadecatrienoic acid", "names": [ "(6Z,9Z,12Z)-Octadecatrienoic acid", "6,9,12-Octadecatrienoic acid", "Gamolenic acid", "gamma-Linolenic acid" ] }, { "compound_id": "C06427", "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-", "name": "(9Z,12Z,15Z)-Octadecatrienoic acid", "names": [ "(9Z,12Z,15Z)-Octadecatrienoic acid", "9,12,15-Octadecatrienoic acid", "Linolenate", "alpha-Linolenate", "alpha-Linolenic acid" ] }, { "compound_id": "C06428", "inchi": "InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-", "name": "(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid", "names": [ "(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoate", "(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid", "(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid", "5,8,11,14,17-Icosapentaenoic acid", "Eicosapentaenoic acid" ] }, { "compound_id": "C06429", "inchi": "InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-", "name": "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid", "names": [ "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid", "4,7,10,13,16,19-Docosahexaenoic acid", "Docosahexaenoic acid" ] }, { "compound_id": "C06430", "inchi": "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3-,4-,5+/m0/s1", "name": "D-Galacturonolactone", "names": [ "D-Galacturonolactone", "D-gamma-Galacturonolactone" ] }, { "compound_id": "C06432", "inchi": "InChI=1S/C37H60N8O25P2/c1-15(30(53)43-20(35(58)59)8-9-23(48)42-19(7-5-6-11-38)32(55)40-16(2)34(56)57)39-31(54)17(3)66-29-25(41-18(4)47)36(68-21(13-46)27(29)51)69-72(63,64)70-71(61,62)65-14-22-26(50)28(52)33(67-22)45-12-10-24(49)44-37(45)60/h10,12,15-17,19-22,25-29,33,36,46,50-52H,5-9,11,13-14,38H2,1-4H3,(H,39,54)(H,40,55)(H,41,47)(H,42,48)(H,43,53)(H,56,57)(H,58,59)(H,61,62)(H,63,64)(H,44,49,60)/t15-,16+,17+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,36+/m0/s1", "name": "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine", "names": [ "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine", "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine" ] }, { "compound_id": "C06433", "inchi": "InChI=1S/C17H18N5O8P/c18-14-11-15(20-7-19-14)22(8-21-11)16-13(24)12(23)10(29-16)6-28-31(26,27)30-17(25)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,26,27)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1", "name": "5'-Benzoylphosphoadenosine", "names": [ "5'-Benzoylphosphoadenosine" ] }, { "compound_id": "C06435", "inchi": "InChI=1S/C14H19N4O9P/c1-2-3-8(19)27-28(23,24)25-4-7-10(20)11(21)14(26-7)18-6-17-9-12(18)15-5-16-13(9)22/h5-7,10-11,14,20-21H,2-4H2,1H3,(H,23,24)(H,15,16,22)/t7-,10-,11-,14-/m1/s1", "name": "5'-Butyrylphosphoinosine", "names": [ "5'-Butyrylphosphoinosine", "Inosine 5'-phosphobutyrate" ] }, { "compound_id": "C06436", "inchi": "InChI=1S/C13H19N2O10P/c1-2-3-9(17)25-26(21,22)23-6-7-10(18)11(19)12(24-7)15-5-4-8(16)14-13(15)20/h4-5,7,10-12,18-19H,2-3,6H2,1H3,(H,21,22)(H,14,16,20)/t7-,10-,11-,12-/m1/s1", "name": "5'-Butyrylphosphouridine", "names": [ "5'-Butyrylphosphouridine" ] }, { "compound_id": "C06437", "inchi": null, "name": "1,3-Diacylglycerol", "names": [ "1,3-Diacylglycerol" ] }, { "compound_id": "C06438", "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1", "name": "Prostaglandin D1", "names": [ "Prostaglandin D1" ] }, { "compound_id": "C06439", "inchi": "InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1", "name": "Prostaglandin E3", "names": [ "Prostaglandin E3" ] }, { "compound_id": "C06440", "inchi": "InChI=1S/C6H8O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,7-9H,1H2/t2-,3-,4+/m1/s1", "name": "2-Dehydro-D-glucono-1,5-lactone", "names": [ "2-Dehydro-D-glucono-1,5-lactone" ] }, { "compound_id": "C06441", "inchi": "InChI=1S/C5H11O8P/c6-3-1-12-5(8,4(3)7)2-13-14(9,10)11/h3-4,6-8H,1-2H2,(H2,9,10,11)/t3-,4+,5?/m0/s1", "name": "L-Xylulose 1-phosphate", "names": [ "L-Xylulose 1-phosphate" ] }, { "compound_id": "C06442", "inchi": "InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1", "name": "N-gamma-Acetyldiaminobutyrate", "names": [ "N-Acetyl-L-2,4-diaminobutanoate", "N-Acetyl-L-2,4-diaminobutyrate", "N-gamma-Acetyldiaminobutyrate" ] }, { "compound_id": "C06443", "inchi": null, "name": "Hydroxamate", "names": [ "Hydroxamate", "Hydroxamic acid" ] }, { "compound_id": "C06446", "inchi": "InChI=1S/C20H22N2O8/c23-14-8-3-5-11(16(14)25)18(27)21-10-2-1-7-13(20(29)30)22-19(28)12-6-4-9-15(24)17(12)26/h3-6,8-9,13,23-26H,1-2,7,10H2,(H,21,27)(H,22,28)(H,29,30)/t13-/m0/s1", "name": "2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine", "names": [ "2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine" ] }, { "compound_id": "C06447", "inchi": "InChI=1S/C20H23N3O7/c21-18(28)13(23-20(30)12-6-4-9-15(25)17(12)27)7-1-2-10-22-19(29)11-5-3-8-14(24)16(11)26/h3-6,8-9,13,24-27H,1-2,7,10H2,(H2,21,28)(H,22,29)(H,23,30)/t13-/m0/s1", "name": "2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide", "names": [ "2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide" ] }, { "compound_id": "C06450", "inchi": "InChI=1S/C27H29N3O9/c31-19-10-3-7-16(22(19)34)25(37)28-13-2-1-6-15(30-27(39)18-9-5-12-21(33)24(18)36)14-29-26(38)17-8-4-11-20(32)23(17)35/h3-5,7-12,15,31-36H,1-2,6,13-14H2,(H,28,37)(H,29,38)(H,30,39)/t15-/m0/s1", "name": "Myxochelin C", "names": [ "Myxochelin C" ] }, { "compound_id": "C06451", "inchi": "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)", "name": "2-Hydroxyethylphosphonate", "names": [ "(2-Hydroxyethyl)-phosphonic acid", "2-Hydroxyethylphosphonate" ] }, { "compound_id": "C06452", "inchi": "InChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)", "name": "2-Hydroxypropylphosphonate", "names": [ "2-Hydroxypropylphosphonate" ] }, { "compound_id": "C06453", "inchi": "InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;;/m1../s1", "name": "Methylcobalamin", "names": [ "Methylcobalamin" ] }, { "compound_id": "C06454", "inchi": "InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1", "name": "Fosfomycin", "names": [ "Fosfomycin", "Phosphonomycin" ] }, { "compound_id": "C06455", "inchi": "InChI=1S/CH5O4P/c2-1-6(3,4)5/h2H,1H2,(H2,3,4,5)", "name": "Hydroxymethylphosphonate", "names": [ "(methoxy)phosphonate", "Hydroxymethylphosphonate", "P-(Hydroxymethyl)-phosphonic acid" ] }, { "compound_id": "C06456", "inchi": "InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)", "name": "Phosphonoformate", "names": [ "Foscarmet", "Foscarnet", "Phosphonoformate" ] }, { "compound_id": "C06457", "inchi": "InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1", "name": "Bialaphos", "names": [ "2-Amino-4-(methylphosphino)butyrylalanylalanine", "Bialaphos", "Bilanafos", "gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine", "phosphinothricin tripeptide" ] }, { "compound_id": "C06459", "inchi": "InChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1", "name": "N-Trimethyl-2-aminoethylphosphonate", "names": [ "2-Trimethylaminoethylphosphonate", "N-Trimethyl-2-aminoethylphosphonate" ] }, { "compound_id": "C06461", "inchi": null, "name": "Hydroxyaldehyde", "names": [ "Hydroxyaldehyde" ] }, { "compound_id": "C06462", "inchi": "InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1", "name": "Leukotriene F4", "names": [ "LTF4", "Leukotriene F4" ] }, { "compound_id": "C06463", "inchi": "InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3+,4?/m1/s1", "name": "D-Threose", "names": [ "D-Threose", "D-threo-Tetrose" ] }, { "compound_id": "C06464", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6?/m1/s1", "name": "D-Altrose", "names": [ "D-Altrose", "D-altro-Hexose" ] }, { "compound_id": "C06465", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6?/m1/s1", "name": "D-Gulose", "names": [ "D-Gulose", "D-gulo-Hexose" ] }, { "compound_id": "C06466", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6?/m1/s1", "name": "D-Idose", "names": [ "D-Idose", "D-ido-Hexose" ] }, { "compound_id": "C06467", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6?/m1/s1", "name": "D-Talose", "names": [ "D-Talose", "D-talo-Hexose" ] }, { "compound_id": "C06468", "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1", "name": "D-Psicose", "names": [ "D-Allulose", "D-Altrulose", "D-Pseudofructose", "D-Psicose", "D-erythro-Hexulose", "D-ribo-2-Hexulose", "D-ribo-2-Ketohexulose" ] }, { "compound_id": "C06469", "inchi": "InChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3-,4?,5+,6-,7+,9?/m0/s1", "name": "Neuraminic acid", "names": [ "5-Amino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid", "Neuraminic acid" ] }, { "compound_id": "C06470", "inchi": "InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3?,4-,5-,6-,7-,9?/m1/s1", "name": "Muramic acid", "names": [ "2-Amino-3-O-D-1-carboxyethyl-2-deoxy-D-glucose", "3-O-alpha-Carboxyethyl-D-glucosamine", "Muramic acid" ] }, { "compound_id": "C06471", "inchi": "InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1", "name": "Abequose", "names": [ "3,6-Deoxy-D-galactose", "3,6-Deoxy-D-xylo-hexose", "3-Deoxy-D-fucose", "Abequose" ] }, { "compound_id": "C06472", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6?/m0/s1", "name": "L-Iduronic acid", "names": [ "L-Iduronic acid" ] }, { "compound_id": "C06473", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1", "name": "2-Keto-D-gluconic acid", "names": [ "2-Dehydro-D-gluconate", "2-Dehydro-D-gluconic acid", "2-Keto-D-gluconic acid", "2-oxo-d-gluconate", "alpha-D-arabino-2-Hexulosonic acid" ] }, { "compound_id": "C06474", "inchi": "InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1", "name": "3,6-Anhydrogalactose", "names": [ "3,6-Anhydro-D-galactose", "3,6-Anhydrogalactose" ] }, { "compound_id": "C06475", "inchi": "InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1", "name": "Prostaglandin F1alpha", "names": [ "(13E,15S)-9alpha,11alpha-9,11,15-Trihydroxyprost-13-en-1-oic acid", "Prostaglandin F1alpha" ] }, { "compound_id": "C06476", "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1", "name": "Prostaglandin F3alpha", "names": [ "Prostaglandin F3alpha" ] }, { "compound_id": "C06477", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4+,6?/m0/s1", "name": "L-Guluronic acid", "names": [ "L-Guluronic acid" ] }, { "compound_id": "C06478", "inchi": "InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5+,6+/m0/s1", "name": "3,6-Anhydroglucose", "names": [ "3,6-Anhydro-D-glucose", "3,6-Anhydroglucose" ] }, { "compound_id": "C06479", "inchi": null, "name": "Ketosteroid", "names": [ "Ketosteroid" ] }, { "compound_id": "C06481", "inchi": null, "name": "L-Seryl-tRNA(Sec)", "names": [ "L-Seryl-tRNA(Sec)" ] }, { "compound_id": "C06482", "inchi": null, "name": "L-Selenocysteinyl-tRNA(Sec)", "names": [ "L-Selenocysteinyl-tRNA(Sec)" ] }, { "compound_id": "C06483", "inchi": null, "name": "N-Acetyl-alpha-D-galactosaminyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactoside", "names": [ "Glycoprotein-N-Acetyl-alpha-D-galactosaminyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactose", "N-Acetyl-alpha-D-galactosaminyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactoside" ] }, { "compound_id": "C06484", "inchi": "InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4+", "name": "4,5-cis-Dihydroxy-1,2-dithiacyclohexane", "names": [ "4,5-cis-Dihydroxy-1,2-dithiacyclohexane", "Oxidized dithioerythritol" ] }, { "compound_id": "C06485", "inchi": "InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1", "name": "1,5-Anhydro-D-fructose", "names": [ "1,5-Anhydro-D-fructose" ] }, { "compound_id": "C06488", "inchi": "InChI=1S/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,44,50)(H,45,51)/t33-,34-,35+,36+/m1/s1", "name": "XV638", "names": [ "XV638", "[4R-(4alpha,5alpha,6beta,7beta)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-2-thiazolylbenzamide]" ] }, { "compound_id": "C06489", "inchi": "InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3", "name": "Compound VII", "names": [ "5-(5-(6-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole", "Compound VII" ] }, { "compound_id": "C06490", "inchi": "InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3", "name": "WIN VI", "names": [ "5-(5-(4-(4,5-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole", "WIN 52035", "WIN VI" ] }, { "compound_id": "C06491", "inchi": "InChI=1S/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2", "name": "Compound WIN VIII", "names": [ "5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole", "Compound WIN VIII" ] }, { "compound_id": "C06492", "inchi": "InChI=1S/C21H27ClN2O3/c1-15-12-18(27-24-15)8-6-4-3-5-7-11-25-20-10-9-17(13-19(20)22)21-23-16(2)14-26-21/h9-10,12-13,16H,3-8,11,14H2,1-2H3", "name": "Compound II(R/S)", "names": [ "5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole", "Compound II(R/S)" ] }, { "compound_id": "C06493", "inchi": "InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3", "name": "WIN54954", "names": [ "5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole", "WIN54954" ] }, { "compound_id": "C06494", "inchi": "InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3", "name": "Compound V(S)", "names": [ "5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole", "Compound V(S)" ] }, { "compound_id": "C06495", "inchi": "InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3", "name": "Compound III(S)", "names": [ "5-(7-(5-Hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole", "Compound III(S)" ] }, { "compound_id": "C06496", "inchi": "InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3", "name": "Compound IV", "names": [ "5-(7-(4-(4,5-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole", "Compound IV", "Disoxaril" ] }, { "compound_id": "C06497", "inchi": "InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3", "name": "WIN I(S)", "names": [ "5-(7-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole", "WIN 52084 (S)", "WIN I(S)" ] }, { "compound_id": "C06499", "inchi": "InChI=1S/C16H16Cl2N2O3/c1-10-7-12(23-20-10)3-2-5-21-15-13(17)8-11(9-14(15)18)16-19-4-6-22-16/h7-9H,2-6H2,1H3", "name": "WIN56291", "names": [ "5-(3-(2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole", "WIN56291" ] }, { "compound_id": "C06500", "inchi": "InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1", "name": "5'-Guanylylmethylenebisphosphonate", "names": [ "5'-Guanosyl-methylene-triphosphate", "5'-Guanylylmethylenebisphosphonate" ] }, { "compound_id": "C06501", "inchi": "InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1", "name": "Phosphotyrosine", "names": [ "Phosphonotyrosine", "Phosphotyrosine" ] }, { "compound_id": "C06502", "inchi": "InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)", "name": "4,6-Diamino-5-formamidopyrimidine", "names": [ "4,6-Diamino-5-N-formamidopyrimidine", "4,6-Diamino-5-formamidopyrimidine" ] }, { "compound_id": "C06503", "inchi": "InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,50H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b28-18-,38-21-,39-22-/t23-,24-,25-,26+,40?,42-,43+,44+,45+/m1/s1", "name": "Hydrogenobyrinate a,c diamide", "names": [ "Hydrogenobyrinate a,c diamide", "Hydrogenobyrinate diamide", "Hydrogenobyrinic acid a,c-diamide" ] }, { "compound_id": "C06504", "inchi": "InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1", "name": "Cob(II)yrinate a,c diamide", "names": [ "Cob(II)yrinate a,c diamide", "Cob(II)yrinate diamide", "Cob(II)yrinic acid a,c-diamide", "Cobyrinate a,c-diamide", "Cobyrinic acid a,c-diamide" ] }, { "compound_id": "C06505", "inchi": "InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+1/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;/m1./s1", "name": "Cob(I)yrinate a,c diamide", "names": [ "Cob(I)yrinate a,c diamide", "Cob(I)yrinate diamide", "Cob(I)yrinic acid a,c-diamide" ] }, { "compound_id": "C06506", "inchi": "InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1", "name": "Adenosyl cobyrinate a,c diamide", "names": [ "Adenosyl cobyrinate a,c diamide", "Adenosyl cobyrinate diamide", "Adenosylcob(III)yrinic acid a,c-diamide", "Adenosylcobyrinic acid a,c-diamide" ] }, { "compound_id": "C06507", "inchi": "InChI=1S/C45H66N10O8.C10H12N5O3.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1", "name": "Adenosyl cobyrinate hexaamide", "names": [ "Adenosyl cobyrinate hexaamide", "Adenosylcobyric acid" ] }, { "compound_id": "C06508", "inchi": "InChI=1S/C48H73N11O8.C10H12N5O3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43?,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1", "name": "Adenosyl cobinamide", "names": [ "Adenosyl cobinamide" ] }, { "compound_id": "C06509", "inchi": "InChI=1S/C48H74N11O11P.C10H12N5O3.Co/c1-23(70-71(67,68)69)22-55-38(66)16-17-45(6)29(18-35(52)63)43-48(9)47(8,21-37(54)65)28(12-15-34(51)62)40(59-48)25(3)42-46(7,20-36(53)64)26(10-13-32(49)60)30(56-42)19-31-44(4,5)27(11-14-33(50)61)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43H,10-18,20-22H2,1-9H3,(H16,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43?,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1", "name": "Adenosyl cobinamide phosphate", "names": [ "Adenosyl cobinamide phosphate" ] }, { "compound_id": "C06510", "inchi": "InChI=1S/C58H86N16O18P2.C10H12N5O3.Co/c1-25(91-94(87,88)92-93(85,86)89-23-33-45(82)46(83)52(90-33)74-24-67-44-50(74)71-53(65)72-51(44)84)22-66-41(81)16-17-55(6)31(18-38(62)78)49-58(9)57(8,21-40(64)80)30(12-15-37(61)77)43(73-58)27(3)48-56(7,20-39(63)79)28(10-13-35(59)75)32(68-48)19-34-54(4,5)29(11-14-36(60)76)42(69-34)26(2)47(55)70-49;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,24-25,28-31,33,45-46,49,52,82-83H,10-18,20-23H2,1-9H3,(H19,59,60,61,62,63,64,65,66,68,69,70,71,72,73,75,76,77,78,79,80,81,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t25-,28-,29-,30-,31+,33-,45-,46-,49?,52-,55-,56+,57+,58+;4-,6-,7-,10-;/m11./s1", "name": "Adenosine-GDP-cobinamide", "names": [ "Adenosine-GDP-cobinamide", "Adenosylcobinamide-GDP" ] }, { "compound_id": "C06511", "inchi": "InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30-/m1/s1", "name": "Guattegaumerine", "names": [ "Guattegaumerine" ] }, { "compound_id": "C06512", "inchi": "InChI=1S/C35H38N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-6-9-30(38)35(16-22)43-25-7-4-21(5-8-25)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h4-9,16-20,28-29,36,38-40H,10-15H2,1-3H3/t28-,29+/m0/s1", "name": "2'-Norberbamunine", "names": [ "2'-Norberbamunine" ] }, { "compound_id": "C06513", "inchi": "InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m0/s1", "name": "Obamegine", "names": [ "(+)-Obamegine", "Obamegine", "Stepholine" ] }, { "compound_id": "C06514", "inchi": "InChI=1S/C36H38N2O6/c1-37-13-11-23-18-32(41-3)33-19-26(23)28(37)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-29-27-20-34(44-33)35(40)36(42-4)25(27)12-14-38(29)2/h5-10,17-20,28-29,39-40H,11-16H2,1-4H3/t28-,29+/m0/s1", "name": "Aromoline", "names": [ "Aromoline" ] }, { "compound_id": "C06515", "inchi": "InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3", "name": "Magnoline", "names": [ "Magnoline" ] }, { "compound_id": "C06516", "inchi": "InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m1/s1", "name": "(R)-Norreticuline", "names": [ "(R)-Norreticuline", "N-Norreticuline" ] }, { "compound_id": "C06517", "inchi": "InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3/t13-/m0/s1", "name": "(S)-6-O-Methylnorlaudanosoline", "names": [ "(S)-3'-Hydroxycoclaurine", "(S)-6-O-Methylnorlaudanosoline" ] }, { "compound_id": "C06518", "inchi": "InChI=1S/C18H21NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1", "name": "(S)-Nororientaline", "names": [ "(S)-Nororientaline" ] }, { "compound_id": "C06520", "inchi": "InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1", "name": "(S)-Norreticuline", "names": [ "(S)-Norreticuline" ] }, { "compound_id": "C06521", "inchi": "InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3", "name": "Cuscohygrine", "names": [ "Cuscohygrine", "Cuskhygrine" ] }, { "compound_id": "C06522", "inchi": "InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1", "name": "Strychnine", "names": [ "Strychnine" ] }, { "compound_id": "C06523", "inchi": "InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1", "name": "Coniine", "names": [ "(+)-Coniine", "Coniine" ] }, { "compound_id": "C06524", "inchi": "InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2", "name": "Nornicotine", "names": [ "Nornicotine" ] }, { "compound_id": "C06525", "inchi": "InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2", "name": "Gentianine", "names": [ "Gentianine" ] }, { "compound_id": "C06526", "inchi": "InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19-,20+/m0/s1", "name": "Quinine", "names": [ "(-)-Quinine", "Quinine" ] }, { "compound_id": "C06527", "inchi": "InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19+,20-/m0/s1", "name": "Quinidine", "names": [ "(+)-Quinidine", "Quinidine" ] }, { "compound_id": "C06528", "inchi": "InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14?,18+,19-/m0/s1", "name": "Cinchonine", "names": [ "(9S)-Cinchonan-9-ol", "Cinchonine" ] }, { "compound_id": "C06530", "inchi": "InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13?,18-,19+/m0/s1", "name": "Cupreine", "names": [ "Cupreine" ] }, { "compound_id": "C06531", "inchi": "InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,8,11,13H,4,6-7,9-10H2,1H3/t11-,13+,16+/m1/s1", "name": "alpha-Erythroidine", "names": [ "alpha-Erythroidine" ] }, { "compound_id": "C06532", "inchi": "InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,13H,4,6-10H2,1H3/t13-,16-/m0/s1", "name": "beta-Erythroidine", "names": [ "beta-Erythroidine" ] }, { "compound_id": "C06533", "inchi": "InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3", "name": "Papaverine", "names": [ "Papaverine" ] }, { "compound_id": "C06534", "inchi": "InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1", "name": "Heroin", "names": [ "Diacetylmorphine", "Diamorphine", "Heroin" ] }, { "compound_id": "C06535", "inchi": "InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1", "name": "Physostigmine", "names": [ "Eserine", "Physostigmine" ] }, { "compound_id": "C06536", "inchi": "InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3", "name": "Harmaline", "names": [ "Harmaline" ] }, { "compound_id": "C06537", "inchi": "InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3", "name": "Harmalol", "names": [ "Harmalol" ] }, { "compound_id": "C06538", "inchi": "InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3", "name": "Harmine", "names": [ "Harmine" ] }, { "compound_id": "C06539", "inchi": "InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1", "name": "Reserpine", "names": [ "Reserpine" ] }, { "compound_id": "C06540", "inchi": "InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1", "name": "Rescinnamine", "names": [ "Rescinnamine" ] }, { "compound_id": "C06541", "inchi": "InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1", "name": "Deserpidine", "names": [ "Deserpidine" ] }, { "compound_id": "C06542", "inchi": "InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10?,11-,14?,15+,16?,17+,18-,19-,20-/m1/s1", "name": "Ajmaline", "names": [ "Ajmaline" ] }, { "compound_id": "C06543", "inchi": "InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1", "name": "Solanidine", "names": [ "Solanidine" ] }, { "compound_id": "C06544", "inchi": "InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19?,23?,24?,25?,26?,27-,28?,30?,31+,32+,33+,34+,35-,36-/m0/s1", "name": "Veratridine", "names": [ "Veratridine" ] }, { "compound_id": "C06545", "inchi": "InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18+,19-,20-,21+,22+,23+,24+/m1/s1", "name": "Conessine", "names": [ "Conessine" ] }, { "compound_id": "C06546", "inchi": "InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3", "name": "Mescaline", "names": [ "Mescaline" ] }, { "compound_id": "C06547", "inchi": "InChI=1S/C2H4/c1-2/h1-2H2", "name": "Ethylene", "names": [ "Ethylene" ] }, { "compound_id": "C06548", "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2", "name": "Ethylene oxide", "names": [ "Ethylene oxide" ] }, { "compound_id": "C06550", "inchi": "InChI=1S/C2H5AsO5/c4-2(5)1-3(6,7)8/h1H2,(H,4,5)(H2,6,7,8)", "name": "Arsonoacetate", "names": [ "Arsonoacetate" ] }, { "compound_id": "C06551", "inchi": "InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)", "name": "Atrazine", "names": [ "Atrazine" ] }, { "compound_id": "C06552", "inchi": "InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)", "name": "Hydroxyatrazine", "names": [ "4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine", "Hydroxyatrazine" ] }, { "compound_id": "C06553", "inchi": "InChI=1S/C6H10N4O2/c1-3(2)7-4-8-5(11)10-6(12)9-4/h3H,1-2H3,(H3,7,8,9,10,11,12)", "name": "N-Isopropylammelide", "names": [ "N-Isopropylammelide" ] }, { "compound_id": "C06554", "inchi": "InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)", "name": "Cyanuric acid", "names": [ "Cyanuric acid" ] }, { "compound_id": "C06555", "inchi": "InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)", "name": "Biuret", "names": [ "Biuret" ] }, { "compound_id": "C06556", "inchi": "InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)", "name": "Deisopropylatrazine", "names": [ "Deisopropylatrazine" ] }, { "compound_id": "C06557", "inchi": "InChI=1S/C5H9N5O/c1-2-7-4-8-3(6)9-5(11)10-4/h2H2,1H3,(H4,6,7,8,9,10,11)", "name": "Deisopropylhydroxyatrazine", "names": [ "Deisopropylhydroxyatrazine" ] }, { "compound_id": "C06558", "inchi": "InChI=1S/C5H8N4O2/c1-2-6-3-7-4(10)9-5(11)8-3/h2H2,1H3,(H3,6,7,8,9,10,11)", "name": "N-Ethylammelide", "names": [ "2,4-Dihydroxy-6-(N'-ethyl)amino-1,3,5-triazine", "N-Ethylammelide" ] }, { "compound_id": "C06559", "inchi": "InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)", "name": "Deethylatrazine", "names": [ "Deethylatrazine" ] }, { "compound_id": "C06560", "inchi": "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)", "name": "Deisopropyldeethylatrazine", "names": [ "Deisopropyldeethylatrazine" ] }, { "compound_id": "C06561", "inchi": "InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+", "name": "Naringenin chalcone", "names": [ "2',4,4',6'-Tetrahydroxychalcone", "Chalconaringenin", "Isosalipurpol", "Naringenin chalcone" ] }, { "compound_id": "C06562", "inchi": "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1", "name": "(+)-Catechin", "names": [ "(+)-Catechin", "(2R,3S)-(+)-Catechin", "(2R,3S)-Catechin", "(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol", "Cianidanol", "Cyanidanol", "D-Catechin" ] }, { "compound_id": "C06563", "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H", "name": "Genistein", "names": [ "5,7,4'-Trihydroxyisoflavone", "Genistein" ] }, { "compound_id": "C06564", "inchi": "InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8-,9+,11-/m1/s1", "name": "Penicillin N", "names": [ "Adicillin", "Penicillin N" ] }, { "compound_id": "C06565", "inchi": "InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1", "name": "Deacetoxycephalosporin C", "names": [ "DAOC", "Deacetoxycephalosporin C" ] }, { "compound_id": "C06566", "inchi": "InChI=1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/t8-,14-,16+/m1/s1", "name": "Cephamycin C", "names": [ "Cephamycin C" ] }, { "compound_id": "C06567", "inchi": null, "name": "Penicilloic acid", "names": [ "Penicilloic acid", "penicillinoic acid" ] }, { "compound_id": "C06568", "inchi": "InChI=1S/C15H20N4O8S/c16-7(13(22)23)2-1-3-8(20)18-9-11(21)19-10(14(24)25)6(4-27-15(17)26)5-28-12(9)19/h7,9,12H,1-5,16H2,(H2,17,26)(H,18,20)(H,22,23)(H,24,25)/t7-,9-,12-/m1/s1", "name": "O-Carbamoyl-deacetylcephalosporin C", "names": [ "O-Carbamoyl-deacetylcephalosporin C" ] }, { "compound_id": "C06569", "inchi": "InChI=1S/C15H20N4O9S/c16-7(10(21)22)2-1-3-8(20)18-15(27)12(25)19-9(11(23)24)6(4-28-14(17)26)5-29-13(15)19/h7,13,27H,1-5,16H2,(H2,17,26)(H,18,20)(H,21,22)(H,23,24)/t7-,13-,15+/m1/s1", "name": "7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C", "names": [ "7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C" ] }, { "compound_id": "C06570", "inchi": "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1", "name": "Tetracycline", "names": [ "Tetracycline" ] }, { "compound_id": "C06571", "inchi": "InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1", "name": "Chlortetracycline", "names": [ "7-Chlorotetracycline", "Aureomycin", "Chlortetracycline" ] }, { "compound_id": "C06572", "inchi": "InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47?/m1/s1", "name": "Nystatin", "names": [ "Nystatin" ] }, { "compound_id": "C06573", "inchi": "InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1", "name": "Amphotericin B", "names": [ "Amphotericin B" ] }, { "compound_id": "C06574", "inchi": "InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1", "name": "Ampicillin", "names": [ "Ampicillin", "Anhydrous ampicillin" ] }, { "compound_id": "C06575", "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3", "name": "p-Cymene", "names": [ "p-Cymene" ] }, { "compound_id": "C06576", "inchi": "InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3", "name": "p-Cumic alcohol", "names": [ "p-Cumic alcohol" ] }, { "compound_id": "C06577", "inchi": "InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3", "name": "4-Isopropylbenzaldehyde", "names": [ "4-Isopropylbenzaldehyde", "Cuminaldehyde", "p-Cumic aldehyde" ] }, { "compound_id": "C06578", "inchi": "InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)", "name": "p-Cumate", "names": [ "p-Cumate" ] }, { "compound_id": "C06579", "inchi": "InChI=1S/C10H14O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,8-9,11-12H,1-2H3,(H,13,14)/t8-,9+/m0/s1", "name": "cis-2,3-Dihydroxy-2,3-dihydro-p-cumate", "names": [ "cis-2,3-Dihydroxy-2,3-dihydro-p-cumate", "cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate" ] }, { "compound_id": "C06580", "inchi": "InChI=1S/C10H12O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,11-12H,1-2H3,(H,13,14)", "name": "2,3-Dihydroxy-p-cumate", "names": [ "2,3-Dihydroxy-p-cumate" ] }, { "compound_id": "C06581", "inchi": "InChI=1S/C10H12O6/c1-5(2)7(11)4-3-6(9(13)14)8(12)10(15)16/h3-5,12H,1-2H3,(H,13,14)(H,15,16)/b4-3-,8-6-", "name": "2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate", "names": [ "2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate" ] }, { "compound_id": "C06582", "inchi": "InChI=1S/C9H12O4/c1-6(2)7(10)4-3-5-8(11)9(12)13/h3-6,11H,1-2H3,(H,12,13)/b4-3-,8-5+", "name": "2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate", "names": [ "2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate" ] }, { "compound_id": "C06584", "inchi": "InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H", "name": "4-Chlorobiphenyl", "names": [ "1-Chloro-4-phenyl benzene", "4-Chlorobiphenyl", "4-Monochloro-biphenyl" ] }, { "compound_id": "C06585", "inchi": "InChI=1S/C12H11ClO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7,11-12,14-15H/t11-,12+/m0/s1", "name": "cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl", "names": [ "cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl" ] }, { "compound_id": "C06586", "inchi": "InChI=1S/C12H9ClO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7,14-15H", "name": "2,3-Dihydroxy-4'-chlorobiphenyl", "names": [ "2,3-Dihydroxy-4'-chlorobiphenyl" ] }, { "compound_id": "C06587", "inchi": "InChI=1S/C12H9ClO4/c13-9-6-4-8(5-7-9)10(14)2-1-3-11(15)12(16)17/h1-7,15H,(H,16,17)/b2-1-,11-3-", "name": "2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate", "names": [ "2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate" ] }, { "compound_id": "C06588", "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H", "name": "Biphenyl", "names": [ "1,1'-Biphenyl", "1,1'-Diphenyl", "Biphenyl", "Phenylbenzene" ] }, { "compound_id": "C06589", "inchi": "InChI=1S/C12H12O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,11-14H/t11-,12+/m0/s1", "name": "cis-2,3-Dihydro-2,3-dihydroxybiphenyl", "names": [ "(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol", "cis-2,3-Dihydro-2,3-dihydroxybiphenyl", "cis-3-Phenylcyclohexa-3,5-diene-1,2-diol" ] }, { "compound_id": "C06592", "inchi": null, "name": "NDP-N-methyl-L-glucosamine", "names": [ "NDP-N-methyl-L-glucosamine" ] }, { "compound_id": "C06593", "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)", "name": "epsilon-Caprolactam", "names": [ "epsilon-Caprolactam" ] }, { "compound_id": "C06594", "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H", "name": "1,2,4-Trichlorobenzene", "names": [ "1,2,4-Trichlorobenzene", "Trichlorobenzene A" ] }, { "compound_id": "C06596", "inchi": "InChI=1S/C6H5Cl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4-6H/t2-,4+,5+,6+/m1/s1", "name": "gamma-Pentachlorocyclohexene", "names": [ "gamma-Pentachlorocyclohexene" ] }, { "compound_id": "C06597", "inchi": "InChI=1S/C6H4Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,6H/t3-,6-/m1/s1", "name": "1,3,4,6-Tetrachloro-1,4-cyclohexadiene", "names": [ "1,3,4,6-Tetrachloro-1,4-cyclohexadiene" ] }, { "compound_id": "C06598", "inchi": "InChI=1S/C6H5Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-3,6,10H", "name": "2,4,5-Trichloro-2,5-cyclohexadiene-1-ol", "names": [ "1-Hydroxyl-2,4,5-trichloro-2,5-cyclohexadiene", "2,4,5-Trichloro-2,5-cyclohexadiene-1-ol" ] }, { "compound_id": "C06599", "inchi": "InChI=1S/C6H6Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,5-6,9-10H", "name": "2,5-Dichloro-2,5-cyclohexadiene-1,4-diol", "names": [ "1,4-Dihydroxyl-2,5-dichloro-2,5-cyclohexadiene", "2,5-Dichloro-2,5-cyclohexadiene-1,4-diol" ] }, { "compound_id": "C06600", "inchi": "InChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H", "name": "2,5-Dichlorohydroquinone", "names": [ "2,5-Dichloro-1,4-benzenediol", "2,5-Dichlorohydroquinone" ] }, { "compound_id": "C06601", "inchi": "InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H", "name": "Chlorohydroquinone", "names": [ "1,4-Dihydroxyl-2-chlorobenzene", "Chlorohydroquinone", "Chloroquinol" ] }, { "compound_id": "C06602", "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H", "name": "2,5-Dichlorophenol", "names": [ "2,5-DCP", "2,5-Dichlorophenol" ] }, { "compound_id": "C06603", "inchi": "InChI=1S/C6H6O4/c7-4-3-5(8)1-2-6(9)10/h1-4,8H,(H,9,10)/b2-1-,5-3+", "name": "cis,cis-4-Hydroxymuconic semialdehyde", "names": [ "4-Hydroxymuconic semialdehyde", "cis,cis-4-Hydroxymuconic semialdehyde" ] }, { "compound_id": "C06604", "inchi": "InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3", "name": "Parathion", "names": [ "DNTP", "O,O-Diethyl O-p-nitrophenyl phosphorothioate", "Parathion", "Thiophos" ] }, { "compound_id": "C06605", "inchi": "InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3", "name": "Aminoparathion", "names": [ "Aminoparathion" ] }, { "compound_id": "C06606", "inchi": "InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3", "name": "Paraoxon", "names": [ "O,O-Diethyl-O-p-nitrophenylphosphoric acid", "Paraoxon" ] }, { "compound_id": "C06607", "inchi": "InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)", "name": "Diethylthiophosphoric acid", "names": [ "DETP", "Diethylthiophosphoric acid" ] }, { "compound_id": "C06608", "inchi": "InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)", "name": "Diethylphosphoric acid", "names": [ "Diethylphosphoric acid", "O,O-Diethylphosphoric acid", "diethyl phosphate" ] }, { "compound_id": "C06609", "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+", "name": "trans-1,3-Dichloropropene", "names": [ "trans-1,3-Dichloropropene", "trans-3-Chloroallyl chloride" ] }, { "compound_id": "C06610", "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-", "name": "cis-1,3-Dichloropropene", "names": [ "cis-1,3-Dichloropropene" ] }, { "compound_id": "C06611", "inchi": "InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2/b2-1+", "name": "trans-3-Chloro-2-propene-1-ol", "names": [ "trans-3-Chloro-2-propene-1-ol", "trans-3-Chloroallyl alcohol" ] }, { "compound_id": "C06612", "inchi": "InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2/b2-1-", "name": "cis-3-Chloro-2-propene-1-ol", "names": [ "cis-3-Chloro-2-propene-1-ol", "cis-3-Chloroallyl alcohol" ] }, { "compound_id": "C06613", "inchi": "InChI=1S/C3H3ClO/c4-2-1-3-5/h1-3H/b2-1+", "name": "trans-3-Chloroallyl aldehyde", "names": [ "trans-3-Chloro-2-propenal", "trans-3-Chloroallyl aldehyde" ] }, { "compound_id": "C06614", "inchi": "InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+", "name": "trans-3-Chloroacrylic acid", "names": [ "trans-3-Chloroacrylic acid" ] }, { "compound_id": "C06615", "inchi": "InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1-", "name": "cis-3-Chloroacrylic acid", "names": [ "cis-3-Chloroacrylic acid" ] }, { "compound_id": "C06616", "inchi": "InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1", "name": "Erythromycin C", "names": [ "Erythromycin C" ] }, { "compound_id": "C06620", "inchi": "InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-9,11-13,19H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-/m1/s1", "name": "dTDP-3,4-dioxo-2,6-dideoxy-D-glucose", "names": [ "dTDP-3,4-dioxo-2,6-dideoxy-D-glucose" ] }, { "compound_id": "C06622", "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10+,11+,12+,13+/m0/s1", "name": "dTDP-4-oxo-2,6-dideoxy-L-glucose", "names": [ "dTDP-4-oxo-2,6-dideoxy-L-glucose" ] }, { "compound_id": "C06624", "inchi": "InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1", "name": "Oxytetracycline", "names": [ "Oxytetracycline", "Oxytetracycline anhydrous" ] }, { "compound_id": "C06625", "inchi": "InChI=1S/C24H39N8O18P3S/c1-24(2,19(37)22(38)28-4-3-14(34)27-5-6-54-15(35)7-13(25)33)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)32-11-31-16-20(26)29-10-30-21(16)32/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H2,25,33)(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t12-,17-,18-,19?,23-/m1/s1", "name": "Malonamoyl-CoA", "names": [ "Malonamoyl-CoA" ] }, { "compound_id": "C06626", "inchi": "InChI=1S/C20H14ClNO8/c1-5-6-4-7-14(24)16(26)13(19(22)29)18(28)20(7,30)17(27)11(6)15(25)12-9(23)3-2-8(21)10(5)12/h2-3,7,23,25-26,30H,4H2,1H3,(H2,22,29)/t7-,20-/m0/s1", "name": "4-Ketoanhydrochlortetracycline", "names": [ "4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline", "4-Ketoanhydro-7-chlorotetracycline", "4-Ketoanhydrochlortetracycline", "4-Oxoanhydrochlortetracycline" ] }, { "compound_id": "C06627", "inchi": "InChI=1S/C20H15NO8/c1-6-7-3-2-4-10(22)11(7)15(24)12-8(6)5-9-14(23)16(25)13(19(21)28)18(27)20(9,29)17(12)26/h2-4,9,22,24-25,29H,5H2,1H3,(H2,21,28)/t9-,20-/m0/s1", "name": "4-Keto-anhydrotetracycline", "names": [ "4-Dedimethylamino-4-oxo-anhydrotetracycline", "4-Keto-ATC", "4-Keto-anhydrotetracycline", "4-Ketoanhydrotetracycline" ] }, { "compound_id": "C06628", "inchi": "InChI=1S/C20H15NO7/c1-6-7-3-2-4-10(22)11(7)16(24)12-8(6)5-9-13(17(12)25)18(26)14(20(21)28)19(27)15(9)23/h2-5,22-27H,1H3,(H2,21,28)", "name": "4-Hydroxy-6-methylpretetramide", "names": [ "4-Hydroxy-6-methylpretetramide" ] }, { "compound_id": "C06629", "inchi": "InChI=1S/C20H15NO6/c1-7-9-3-2-4-11(22)14(9)19(26)15-10(7)5-8-6-12(23)16(20(21)27)18(25)13(8)17(15)24/h2-6,22-26H,1H3,(H2,21,27)", "name": "6-Methylpretetramide", "names": [ "6-Methylpretetramide" ] }, { "compound_id": "C06630", "inchi": "InChI=1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3/t13-,14+,15+,16+,17-,18+,19-,20+,22+,23+,24-,25+,27-,28-/m1/s1", "name": "3-O-alpha-Mycarosylerythronolide B", "names": [ "3-O-alpha-Mycarosylerythronolide B", "4-(4,5-Dihydroxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione" ] }, { "compound_id": "C06633", "inchi": "InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1", "name": "Erythromycin D", "names": [ "Erythromycin D" ] }, { "compound_id": "C06634", "inchi": "InChI=1S/C37H65NO14/c1-13-25-36(9,45)29(41)20(4)26(39)18(2)15-34(7,44)31(50-33-27(40)24(38(10)11)14-19(3)48-33)21(5)28-23(32(43)49-25)16-47-37(52-28)17-35(8,46-12)30(42)22(6)51-37/h18-25,27-31,33,40-42,44-45H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23-,24+,25-,27-,28+,29-,30+,31-,33+,34-,35-,36-,37-/m1/s1", "name": "Erythromycin E", "names": [ "Erythromycin E" ] }, { "compound_id": "C06635", "inchi": "InChI=1S/C21H38O7/c1-8-15-11(3)17(23)12(4)16(22)10(2)9-21(7,27)19(25)13(5)18(24)14(6)20(26)28-15/h10-15,17-19,23-25,27H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,17+,18+,19-,21-/m1/s1", "name": "Erythronolide B", "names": [ "Erythronolide B" ] }, { "compound_id": "C06636", "inchi": "InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H", "name": "TDE", "names": [ "1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane", "DDD", "Dichlorodiphenyldichloroethane", "TDE" ] }, { "compound_id": "C06637", "inchi": "InChI=1S/C14H9Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-9H", "name": "1-Chloro-2,2-bis(4'-chlorophenyl)ethylene", "names": [ "1-Chloro-2,2-bis(4'-chlorophenyl)ethylene", "DDMU" ] }, { "compound_id": "C06638", "inchi": "InChI=1S/C14H11Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2", "name": "1-Chloro-2,2-bis(4'-chlorophenyl)ethane", "names": [ "1-Chloro-2,2-bis(4'-chlorophenyl)ethane", "DDMS" ] }, { "compound_id": "C06639", "inchi": "InChI=1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2", "name": "2,2-Bis(4'-chlorophenyl)ethanol", "names": [ "2,2-Bis(4'-chlorophenyl)ethanol", "DDOH" ] }, { "compound_id": "C06640", "inchi": "InChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)", "name": "Bis(4'-chlorophenyl)acetate", "names": [ "Bis(4'-chlorophenyl)acetate", "DDA" ] }, { "compound_id": "C06641", "inchi": "InChI=1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2", "name": "Bis(4'-chlorophenyl)methane", "names": [ "Bis(4'-chlorophenyl)methane", "DDM" ] }, { "compound_id": "C06642", "inchi": "InChI=1S/C14H10Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-9H,1H2", "name": "unsym-Bis(4'-chlorophenyl)ethylene", "names": [ "DDNU", "unsym-Bis(4'-chlorophenyl)ethylene" ] }, { "compound_id": "C06643", "inchi": "InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H", "name": "4,4'-Dichlorobenzophenone", "names": [ "4,4'-Dichlorobenzophenone", "DBP" ] }, { "compound_id": "C06644", "inchi": "InChI=1S/C14H8Cl4O2/c15-8-3-1-7(2-4-8)11(14(17)18)9-5-6-10(16)13(20)12(9)19/h1-6,19-20H", "name": "1,1-Dichloro-2-(dihydroxy-4'-chlorophenyl)-2-(4'-chlorophenyl)ethylene", "names": [ "1,1-Dichloro-2-(dihydroxy-4'-chlorophenyl)-2-(4'-chlorophenyl)ethylene" ] }, { "compound_id": "C06645", "inchi": "InChI=1S/C14H8Cl4O4/c15-8-3-1-7(2-4-8)11(13(17)18)10(19)6-5-9(16)12(20)14(21)22/h1-6,20H,(H,21,22)/b6-5+,12-9+", "name": "6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoate", "names": [ "6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoate" ] }, { "compound_id": "C06646", "inchi": "InChI=1S/C9H5Cl3O2/c10-6-3-1-5(2-4-6)7(8(11)12)9(13)14/h1-4H,(H,13,14)", "name": "2-(4'-Chlorophenyl)-3,3-dichloropropenoate", "names": [ "2-(4'-Chlorophenyl)-3,3-dichloropropenoate" ] }, { "compound_id": "C06647", "inchi": "InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3", "name": "4-Chloroacetophenone", "names": [ "4-Chloroacetophenone", "p-Chloroacetophenone" ] }, { "compound_id": "C06648", "inchi": "InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H", "name": "4-Chlorobenzaldehyde", "names": [ "4-Chlorobenzaldehyde" ] }, { "compound_id": "C06649", "inchi": "InChI=1S/C14H11Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11-13,20-21H/t11?,12-,13+/m0/s1", "name": "cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane", "names": [ "cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane", "cis-2,3-Dihydrodiol DDT" ] }, { "compound_id": "C06650", "inchi": "InChI=1S/C14H9Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11,20-21H", "name": "2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane", "names": [ "2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane", "2,3-Dihydroxy DDT" ] }, { "compound_id": "C06651", "inchi": "InChI=1S/C14H9Cl5O4/c15-8-3-1-7(2-4-8)11(14(17,18)19)10(20)6-5-9(16)12(21)13(22)23/h1-6,11,21H,(H,22,23)/b6-5-,12-9+", "name": "6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate", "names": [ "6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate" ] }, { "compound_id": "C06653", "inchi": "InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1", "name": "Erythromycin B", "names": [ "Berythromycin", "Erythromycin B" ] }, { "compound_id": "C06654", "inchi": "InChI=1S/C20H18N2O7/c1-6-7-3-2-4-10(23)11(7)15(24)12-8(6)5-9-14(21)16(25)13(19(22)28)18(27)20(9,29)17(12)26/h2-4,9,14,23-25,29H,5,21H2,1H3,(H2,22,28)/t9-,14-,20-/m0/s1", "name": "4-Amino-anhydrotetracycline", "names": [ "4-Amino-ATC", "4-Amino-anhydrotetracycline", "4-Dedimethyl-6-dehydro-anhydrotetracycline" ] }, { "compound_id": "C06655", "inchi": "InChI=1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)/t6-/m0/s1", "name": "L-N2-(2-Carboxyethyl)arginine", "names": [ "L-N2-(2-Carboxyethyl)arginine", "N2-(2-Carboxyethyl)-L-arginine" ] }, { "compound_id": "C06656", "inchi": "InChI=1S/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1", "name": "Deoxyguanidinoproclavaminic acid", "names": [ "Deoxyamidinoproclavaminate", "Deoxyguanidinoproclavaminate", "Deoxyguanidinoproclavaminic acid" ] }, { "compound_id": "C06657", "inchi": "InChI=1S/C9H16N4O4/c10-9(11)12-3-1-5(14)7(8(16)17)13-4-2-6(13)15/h5,7,14H,1-4H2,(H,16,17)(H4,10,11,12)/t5?,7-/m0/s1", "name": "Guanidinoproclavaminic acid", "names": [ "Amidinoproclavaminate", "Guanidinoproclavaminate", "Guanidinoproclavaminic acid" ] }, { "compound_id": "C06658", "inchi": "InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5?,7-/m0/s1", "name": "Proclavaminic acid", "names": [ "Proclavaminate", "Proclavaminic acid" ] }, { "compound_id": "C06659", "inchi": "InChI=1S/C8H12N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h4,6-7H,1-3,9H2,(H,12,13)/t4-,6+,7+/m1/s1", "name": "Dihydroclavaminic acid", "names": [ "Dihydroclavaminate", "Dihydroclavaminic acid" ] }, { "compound_id": "C06660", "inchi": "InChI=1S/C8H10N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h1,6-7H,2-3,9H2,(H,12,13)/b4-1-/t6-,7-/m0/s1", "name": "Clavaminic acid", "names": [ "Clavaminate", "Clavaminic acid" ] }, { "compound_id": "C06661", "inchi": "InChI=1S/C8H7NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1-2,6-7H,3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1", "name": "Clavulanate-9-aldehyde", "names": [ "Clavulanate-9-aldehyde" ] }, { "compound_id": "C06662", "inchi": "InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1", "name": "Clavulanic acid", "names": [ "Clavulanate", "Clavulanic acid" ] }, { "compound_id": "C06663", "inchi": null, "name": "Olivanic acid", "names": [ "Olivanic acid" ] }, { "compound_id": "C06664", "inchi": "InChI=1S/C11H16N2O4S/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15/h5-6,8,14H,2-4,12H2,1H3,(H,16,17)/t5-,6-,8-/m1/s1", "name": "Thienamycin", "names": [ "Thienamycin" ] }, { "compound_id": "C06665", "inchi": "InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1", "name": "Imipenem", "names": [ "Imipenem", "Imipenem anhydrous" ] }, { "compound_id": "C06667", "inchi": "InChI=1S/C16H22N4O9/c17-11(13(23)5-3-19-7(21)1-9(19)28-5)15(25)18-12(16(26)27)14(24)6-4-20-8(22)2-10(20)29-6/h5-6,9-14,23-24H,1-4,17H2,(H,18,25)(H,26,27)/t5-,6-,9+,10+,11+,12+,13+,14-/m1/s1", "name": "Clavamycin A", "names": [ "Clavamycin A" ] }, { "compound_id": "C06668", "inchi": "InChI=1S/C14H23N3O6/c1-6(2)11(15)13(20)16-12(14(21)22)8(18)3-7-5-17-9(19)4-10(17)23-7/h6-8,10-12,18H,3-5,15H2,1-2H3,(H,16,20)(H,21,22)/t7-,8-,10-,11?,12?/m0/s1", "name": "Valclavam", "names": [ "Valclavam" ] }, { "compound_id": "C06669", "inchi": "InChI=1S/C7H7NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h2,4H,1,3H2,(H,10,11)/t4-/m1/s1", "name": "1-Carbapen-2-em-3-carboxylic acid", "names": [ "(5R)-Carbapenem-3-carboxylate", "(5R)-Carbapenem-3-carboxylic acid", "1-Carbapen-2-em-3-carboxylic acid" ] }, { "compound_id": "C06670", "inchi": "InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)", "name": "2,4-Dichlorobenzoate", "names": [ "2,4-Dichlorobenzoate", "2,4-Dichlorobenzoic acid" ] }, { "compound_id": "C06671", "inchi": "InChI=1S/C28H38Cl2N7O17P3S/c1-28(2,22(40)25(41)33-6-5-18(38)32-7-8-58-27(42)15-4-3-14(29)9-16(15)30)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)37-13-36-19-23(31)34-12-35-24(19)37/h3-4,9,12-13,17,20-22,26,39-40H,5-8,10-11H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t17-,20-,21-,22?,26-/m1/s1", "name": "2,4-Dichlorobenzoyl-CoA", "names": [ "2,4-Dichlorobenzoyl-CoA" ] }, { "compound_id": "C06672", "inchi": "InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)", "name": "Vanillate", "names": [ "4-Hydroxy-3-methoxybenzoate", "4-Hydroxy-3-methoxybenzoic acid", "Vanillate", "Vanillic acid" ] }, { "compound_id": "C06673", "inchi": "InChI=1S/C13H10N2O5S/c16-13(17)9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)21(18,19)20/h1-8H,(H,16,17)(H,18,19,20)/b15-14+", "name": "4-Carboxy-4'-sulfoazobenzene", "names": [ "4-Carboxy-4'-sulfoazobenzene" ] }, { "compound_id": "C06674", "inchi": "InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)", "name": "4-Sulfocatechol", "names": [ "4-Sulfocatechol" ] }, { "compound_id": "C06675", "inchi": "InChI=1S/C6H6O7S/c7-5(8)2-1-4(3-6(9)10)14(11,12)13/h1-3H,(H,7,8)(H,9,10)(H,11,12,13)/b2-1-,4-3+", "name": "3-Sulfomuconate", "names": [ "3-Sulfomuconate" ] }, { "compound_id": "C06676", "inchi": "InChI=1S/C6H6O7S/c7-4(8)3-6(14(10,11)12)2-1-5(9)13-6/h1-2H,3H2,(H,7,8)(H,10,11,12)", "name": "4-Sulfolactone", "names": [ "4-Carboxymethyl-4-sulfobut-2-en-4-olide", "4-Sulfolactone" ] }, { "compound_id": "C06677", "inchi": "InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)", "name": "Toluene-4-sulfonate", "names": [ "Toluene-4-sulfonate", "Tosylate" ] }, { "compound_id": "C06678", "inchi": "InChI=1S/C7H8O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4,8H,5H2,(H,9,10,11)", "name": "4-Sulfobenzyl alcohol", "names": [ "4-(Hydroxymethyl)benzenesulfonate", "4-Sulfobenzyl alcohol" ] }, { "compound_id": "C06679", "inchi": "InChI=1S/C7H6O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-5H,(H,9,10,11)", "name": "4-Sulfobenzaldehyde", "names": [ "4-Formylbenzenesulfonate", "4-Sulfobenzaldehyde" ] }, { "compound_id": "C06680", "inchi": "InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)", "name": "4-Hydroxyphthalate", "names": [ "4-Hydroxyphthalate" ] }, { "compound_id": "C06681", "inchi": "InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1", "name": "Mitomycin", "names": [ "Mitomycin", "Mitomycin C" ] }, { "compound_id": "C06682", "inchi": "InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)", "name": "DL-Cycloserine", "names": [ "DL-Cycloserine" ] }, { "compound_id": "C06683", "inchi": "InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1", "name": "Ceftriaxone", "names": [ "Ceftriaxone" ] }, { "compound_id": "C06684", "inchi": "InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36?,37-,38-,39-,40+,41+,42+/m0/s1", "name": "Valinomycin", "names": [ "Valinomycin" ] }, { "compound_id": "C06685", "inchi": "InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1", "name": "Cycloheximide", "names": [ "Cycloheximide" ] }, { "compound_id": "C06686", "inchi": "InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1", "name": "Griseofulvin", "names": [ "Griseofulvin" ] }, { "compound_id": "C06687", "inchi": "InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)", "name": "Norfloxacin", "names": [ "Norfloxacin" ] }, { "compound_id": "C06688", "inchi": "InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1", "name": "Rifampicin", "names": [ "Rifampicin", "Rifampin" ] }, { "compound_id": "C06689", "inchi": "InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44?,46+,47+,48?,49?,50-,51+,52+,53+,54-,56?,57+,65-,66-/m0/s1", "name": "Vancomycin", "names": [ "Vancomycin" ] }, { "compound_id": "C06690", "inchi": "InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-46(77-58-55(72)53(61)54(71)38(4)76-58)31-50-52(57(73)74)49(69)34-59(75,79-50)33-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)30-51(70)78-56(35)37(3)26-36(2)47(67)32-48(68)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-47,49-50,52-56,58,64-67,69,71-72,75H,17,19-20,26-34,60-61H2,1-4H3,(H,73,74)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36?,37?,38-,43?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58?,59?/m1/s1", "name": "Candicidin D", "names": [ "Candicidin D", "FR-008-III" ] }, { "compound_id": "C06691", "inchi": "InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1", "name": "Actinorhodin", "names": [ "Actinorhodin", "Actinorhodine" ] }, { "compound_id": "C06692", "inchi": "InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5?,6?,7-,8?,9-,10+,11+,14+/m0/s1", "name": "Polyoxin B", "names": [ "Polyoxin B" ] }, { "compound_id": "C06693", "inchi": "InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1", "name": "Monensin", "names": [ "Monensin", "Monensin A" ] }, { "compound_id": "C06694", "inchi": "InChI=1/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1/f/h35H", "name": "Fusidic acid", "names": [ "Fusidic acid" ] }, { "compound_id": "C06695", "inchi": "InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)", "name": "2-Oxazolidinone", "names": [ "2-Oxazolidinone" ] }, { "compound_id": "C06696", "inchi": "InChI=1/Pb", "name": "Lead", "names": [ "Lead" ] }, { "compound_id": "C06697", "inchi": "InChI=1S/AsO3/c2-1(3)4/q-3", "name": "Arsenite", "names": [ "Arsenite", "Trisoxylatoarsine" ] }, { "compound_id": "C06701", "inchi": "InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)", "name": "Phosphonic acid", "names": [ "Phosphite", "Phosphonate", "Phosphonic acid", "Phosphorous acid" ] }, { "compound_id": "C06702", "inchi": null, "name": "Polyamine", "names": [ "Polyamine" ] }, { "compound_id": "C06704", "inchi": null, "name": "Iron chelate", "names": [ "Iron chelate" ] }, { "compound_id": "C06705", "inchi": null, "name": "Capsular polysaccharide", "names": [ "Capsular polysaccharide" ] }, { "compound_id": "C06706", "inchi": null, "name": "Lipo-oligosaccharide", "names": [ "Lipo-oligosaccharide" ] }, { "compound_id": "C06707", "inchi": null, "name": "Teichoic acid", "names": [ "Teichoic acid" ] }, { "compound_id": "C06710", "inchi": "InChI=1S/Ag", "name": "Silver", "names": [ "Ag", "Ag+", "Argentum", "Silver" ] }, { "compound_id": "C06711", "inchi": "InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H", "name": "Fluoren-9-ol", "names": [ "9-Fluorenol", "9-Hydroxyfluorene", "Diphenylene carbinol", "Fluoren-9-ol" ] }, { "compound_id": "C06712", "inchi": "InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H", "name": "Fluoren-9-one", "names": [ "9-Fluorenone", "Fluoren-9-one" ] }, { "compound_id": "C06714", "inchi": "InChI=1S/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,36,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t15?,16-,21-,22-,23?,27-/m1/s1", "name": "3-Hydroxypimeloyl-CoA", "names": [ "3-Hydroxypimeloyl-CoA", "3-Hydroxypimelyl-CoA" ] }, { "compound_id": "C06715", "inchi": "InChI=1S/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-14,16,21-23,27,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t16-,21-,22-,23?,27-/m1/s1", "name": "3-Oxopimeloyl-CoA", "names": [ "3-Ketopimelyl-CoA", "3-Oxopimeloyl-CoA" ] }, { "compound_id": "C06717", "inchi": "InChI=1S/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15?,17?/m0/s1", "name": "Mycothiol", "names": [ "Mycothiol" ] }, { "compound_id": "C06718", "inchi": "InChI=1S/C18H30N2O13S/c1-5(23)19-6(3-34-4-22)17(31)20-8-10(25)9(24)7(2-21)32-18(8)33-16-14(29)12(27)11(26)13(28)15(16)30/h4,6-16,18,21,24-30H,2-3H2,1H3,(H,19,23)(H,20,31)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,16?,18?/m0/s1", "name": "S-Formylmycothiol", "names": [ "S-Formylmycothiol" ] }, { "compound_id": "C06719", "inchi": "InChI=1S/C6H8O3/c7-4-1-5(8)3-6(9)2-4/h1,6-7,9H,2-3H2", "name": "Dihydrophloroglucinol", "names": [ "Dihydrophloroglucinol" ] }, { "compound_id": "C06720", "inchi": "InChI=1S/C8H10O4/c1-5-3-2-4-8(12,6(5)9)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)/t6-,8+/m0/s1", "name": "1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate", "names": [ "1,2-Dihydroxy-3-methylcyclohexa-3,5-dienecarboxylate", "1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate" ] }, { "compound_id": "C06721", "inchi": "InChI=1S/C12H10O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,8,12-14H/t8-,12-/m1/s1", "name": "cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene", "names": [ "cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene" ] }, { "compound_id": "C06722", "inchi": "InChI=1S/C12H8O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,13-14H", "name": "1,2-Dihydroxydibenzothiophene", "names": [ "1,2-Dihydroxydibenzothiophene" ] }, { "compound_id": "C06723", "inchi": "InChI=1S/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-16,21-23,27,40-41H,3-4,6,8-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/b7-5+/t16-,21-,22-,23?,27-/m1/s1", "name": "6-Carboxyhex-2-enoyl-CoA", "names": [ "2,3-Didehydro-pimeloyl-CoA", "6-Carboxyhex-2-enoyl-CoA" ] }, { "compound_id": "C06725", "inchi": "InChI=1S/C10H9NO3/c1-5-4-6-7(11-10(5)14)2-3-8(12)9(6)13/h2-4,12-13H,1H3,(H,11,14)", "name": "5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline", "names": [ "5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline" ] }, { "compound_id": "C06726", "inchi": "InChI=1S/C10H11NO3/c1-5-4-6-7(11-10(5)14)2-3-8(12)9(6)13/h2-4,8-9,12-13H,1H3,(H,11,14)", "name": "5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline", "names": [ "5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline" ] }, { "compound_id": "C06727", "inchi": "InChI=1S/C8H12O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,7-10H,2H2,1H3/t7-,8+/m0/s1", "name": "cis-1,2-Dihydro-3-ethylcatechol", "names": [ "cis-1,2-Dihydro-3-ethylcatechol", "cis-2,3-Dihydroxy-2,3-dihydroethylbenzene", "cis-3-Ethyl-cyclohexa-3,5-diene-1,2-diol" ] }, { "compound_id": "C06728", "inchi": "InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3", "name": "3-Ethylcatechol", "names": [ "2,3-Dihydroxyethylbenzene", "3-Ethyl-benzene-1,2-diol", "3-Ethylcatechol" ] }, { "compound_id": "C06729", "inchi": "InChI=1S/C8H10O4/c1-5-2-3-8(12,7(10)11)6(9)4-5/h2-4,6,9,12H,1H3,(H,10,11)", "name": "cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate", "names": [ "4-Methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid", "cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate" ] }, { "compound_id": "C06730", "inchi": "InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3", "name": "4-Methylcatechol", "names": [ "1,2-Dihydroxy-4-methylbenzene", "3,4-Dihydroxytoluene", "4-Methyl-1,2-benzenediol", "4-Methylcatechol" ] }, { "compound_id": "C06731", "inchi": "InChI=1S/C8H10O4/c1-5-3-2-4-6(9)8(5,12)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)", "name": "1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate", "names": [ "1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate" ] }, { "compound_id": "C06732", "inchi": "InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-", "name": "alpha,beta-Didehydrotryptophan", "names": [ "alpha,beta-Didehydrotryptophan" ] }, { "compound_id": "C06733", "inchi": "InChI=1S/C30H42O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,31H,12,19,22-23H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+", "name": "8'-apo-beta-Carotenol", "names": [ "8'-apo-beta-Carotenol" ] }, { "compound_id": "C06734", "inchi": "InChI=1S/C22H30O/c1-18(10-6-7-17-23)11-8-12-19(2)14-15-21-20(3)13-9-16-22(21,4)5/h6-8,10-12,14-15,17H,9,13,16H2,1-5H3/b7-6+,11-8+,15-14+,18-10+,19-12+", "name": "14'-apo-beta-Carotenal", "names": [ "14'-apo-beta-Carotenal" ] }, { "compound_id": "C06735", "inchi": "InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2", "name": "Aminoacetaldehyde", "names": [ "2-Aminoacetaldehyde", "Aminoacetaldehyde" ] }, { "compound_id": "C06736", "inchi": "InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h5-6,22-24,28-30,34,45-46H,4,7-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b6-5+/t24-,28-,29-,30?,34-/m1/s1", "name": "(E)-11-Tetradecenoyl-CoA", "names": [ "(11E)-Tetradecenoyl-CoA", "(E)-11-Tetradecenoyl-CoA" ] }, { "compound_id": "C06737", "inchi": "InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h5-6,22-24,28-30,34,45-46H,4,7-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b6-5-/t24-,28-,29-,30?,34-/m1/s1", "name": "(Z)-11-Tetradecenoyl-CoA", "names": [ "(11Z)-Tetradecenoyl-CoA", "(Z)-11-Tetradecenoyl-CoA" ] }, { "compound_id": "C06738", "inchi": "InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3-", "name": "cis-p-Coumarate", "names": [ "cis-p-Coumarate" ] }, { "compound_id": "C06739", "inchi": "InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3-/t10-,12-,13+,14-,15-/m1/s1", "name": "4'-O-beta-D-Glucosyl-cis-p-coumarate", "names": [ "4'-O-beta-D-Glucosyl-cis-p-coumarate" ] }, { "compound_id": "C06740", "inchi": "InChI=1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)/t15-,16+,17+,19+,21-,22+,23-,24?,25-,27+,29+,30+,31-,32-/m1/s1", "name": "Glucosyl-limonin", "names": [ "Glucosyl-limonin", "Limonin 17-beta-D-glucoside" ] }, { "compound_id": "C06741", "inchi": null, "name": "Feruloyl-polysaccharide", "names": [ "Feruloyl-polysaccharide" ] }, { "compound_id": "C06742", "inchi": "InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)", "name": "2'-Hydroxybiphenyl-2-sulfinate", "names": [ "2'-Hydroxybiphenyl-2-sulfinate", "2-(2-Hydroxyphenyl)benzenesulfinate" ] }, { "compound_id": "C06743", "inchi": null, "name": "Poly(ADPribose)", "names": [ "Poly(ADPribose)" ] }, { "compound_id": "C06744", "inchi": null, "name": "3-Deoxyoctulosonyl-lipopolysaccharide", "names": [ "3-Deoxyoctulosonyl-lipopolysaccharide" ] }, { "compound_id": "C06746", "inchi": "InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)", "name": "N-(2-Phenylethyl)-acetamide", "names": [ "N-(2-Phenylethyl)-acetamide", "N-Acetyl-2-phenylethylamine", "N-Acetylphenylethylamine" ] }, { "compound_id": "C06747", "inchi": "InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2", "name": "Phenylmethanesulfonyl fluoride", "names": [ "Benzenemethanesulfonyl fluoride", "PMSF", "Phenylmethanesulfonyl fluoride" ] }, { "compound_id": "C06748", "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3", "name": "Isopropylamine", "names": [ "2-Aminopropane", "2-Propanamine", "Isopropylamine", "Monoisopropylamine" ] }, { "compound_id": "C06749", "inchi": "InChI=1S/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,16-17,20-22,26,36,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t16?,17-,20-,21-,22?,26-/m1/s1", "name": "6-Hydroxycyclohex-1-enecarbonyl-CoA", "names": [ "6-Hydroxycyclohex-1-ene-1-carboxyl-CoA", "6-Hydroxycyclohex-1-enecarbonyl-CoA", "6-hydroxycyclohex-1-ene-carboxyl-coa" ] }, { "compound_id": "C06751", "inchi": "", "name": "Prenyl-L-cysteine", "names": [ "Prenyl-L-cysteine" ] }, { "compound_id": "C06752", "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2", "name": "1,2-Dichloroethane", "names": [ "1,2-Dichloroethane", "Dutch liquid", "Ethylene dichloride", "Glycol dichloride" ] }, { "compound_id": "C06753", "inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2", "name": "2-Chloroethanol", "names": [ "2-Chloroethanol", "Ethylene chlorohydrin", "Glycol chlorohydrin" ] }, { "compound_id": "C06754", "inchi": "InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2", "name": "Chloroacetaldehyde", "names": [ "2-Chloroethanal", "Chloroacetaldehyde" ] }, { "compound_id": "C06755", "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)", "name": "Chloroacetic acid", "names": [ "Chloroacetic acid", "Chloroethanoic acid" ] }, { "compound_id": "C06756", "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3", "name": "p-Xylene", "names": [ "1,4-Dimethylbenzene", "p-Methyltoluene", "p-Xylene" ] }, { "compound_id": "C06757", "inchi": "InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3", "name": "4-Methylbenzyl alcohol", "names": [ "4-Methylbenzyl alcohol", "4-Tolylcarbinol", "alpha-Hydroxy-p-xylene" ] }, { "compound_id": "C06758", "inchi": "InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3", "name": "p-Tolualdehyde", "names": [ "4-Methylbenzaldehyde", "4-Toluylaldehyde", "p-Formyltoluene", "p-Methylbenzaldehyde", "p-Tolualdehyde" ] }, { "compound_id": "C06760", "inchi": "InChI=1S/C7H8O4/c1-5(4-8)2-3-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b5-2-,6-3+", "name": "2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde", "names": [ "(2E,4Z)-2-Hydroxy-5-methyl-6-oxohexa-2,4-dienoate", "2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde" ] }, { "compound_id": "C06761", "inchi": "InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-3H,4H2,1H3,(H,8,9)/b3-2+", "name": "(4E)-2-Oxohexenoic acid", "names": [ "(4E)-2-Oxohexenoic acid", "2-Oxohex-trans-4-enoate" ] }, { "compound_id": "C06762", "inchi": "InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)", "name": "4-Hydroxy-2-oxohexanoic acid", "names": [ "4-Hydroxy-2-oxohexanoate", "4-Hydroxy-2-oxohexanoic acid" ] }, { "compound_id": "C06763", "inchi": "InChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/t2-,3-,4+,5-,6?/m1/s1", "name": "Nojirimycin", "names": [ "5-Amino-5-deoxy-D-glucopyranose", "Nojirimycin" ] }, { "compound_id": "C06764", "inchi": "InChI=1S/C44H72O12/c1-9-29-21-33-13-17-38(49-33)26(6)42(46)54-31(11-3)23-35-15-19-40(51-35)28(8)44(48)56-32(12-4)24-36-16-20-39(52-36)27(7)43(47)55-30(10-2)22-34-14-18-37(50-34)25(5)41(45)53-29/h25-40H,9-24H2,1-8H3/t25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,38+,39+,40-", "name": "Tetranactin", "names": [ "Tetranactin" ] }, { "compound_id": "C06765", "inchi": "InChI=1S/C69H107N4O35P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(60(88)89)29-98-109(94,95)108-66-56(57(107-67(70)92)69(11,93)58(106-66)61(90)91)105-63-44(72-36(8)76)47(81)54(40(101-63)28-97-64-51(85)48(82)45(79)39(27-74)100-64)103-62-43(71-35(7)75)46(80)53(34(6)99-62)102-65-52(86)49(83)50(84)55(104-65)59(87)73-42-37(77)20-21-38(42)78/h13,15,18,23-24,34,39-41,43-58,62-66,74,77,79-86,93H,5,12,14,16-17,19-22,25-29H2,1-4,6-11H3,(H2,70,92)(H,71,75)(H,72,76)(H,73,87)(H,88,89)(H,90,91)(H,94,95)/b24-13+,31-18+,32-23+/t34-,39-,40-,41-,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53?,54?,55+,56?,57-,58-,62?,63?,64-,65?,66-,69+/m1/s1", "name": "Flavomycin", "names": [ "Bambermycin", "Flavomycin", "Moenomycin A" ] }, { "compound_id": "C06767", "inchi": "InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;", "name": "Hemine", "names": [ "Hemin", "Hemine" ] }, { "compound_id": "C06769", "inchi": "InChI=1S/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-13,18-19,26-27,41-46H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48)/t18-,19+,26+,27-/m0/s1", "name": "Vibriobactin", "names": [ "Vibriobactin" ] }, { "compound_id": "C06770", "inchi": "InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)", "name": "Actinomycin D", "names": [ "Actinomycin D", "Dactinomycin" ] }, { "compound_id": "C06771", "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2", "name": "Triethanolamine", "names": [ "Triethanolamine", "Trolamine" ] }, { "compound_id": "C06772", "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2", "name": "Diethanolamine", "names": [ "Diethanolamine" ] }, { "compound_id": "C06773", "inchi": "InChI=1S/C24H16O11/c1-5-2-7-12(19(29)10(5)24(34)35)13-14(23(33)18(7)28)22(32)16-15(21(13)31)17(27)8-3-6(25)4-9(26)11(8)20(16)30/h2-4,18,23,25-26,28-29,31-33H,1H3,(H,34,35)/t18-,23-/m0/s1", "name": "11-O-Demethylpradinone II", "names": [ "11-O-Demethylpradinone II" ] }, { "compound_id": "C06774", "inchi": "InChI=1S/C25H18O11/c1-6-3-8-13(20(30)11(6)25(34)35)14-16(23(33)19(8)29)24(36-2)17-15(22(14)32)18(28)9-4-7(26)5-10(27)12(9)21(17)31/h3-5,19,23,26-27,29-30,32-33H,1-2H3,(H,34,35)/t19-,23-/m0/s1", "name": "11-O-Demethyl-7-methoxypradinone II", "names": [ "11-O-Demethyl-7-methoxypradinone II" ] }, { "compound_id": "C06775", "inchi": "InChI=1S/C24H16O10/c1-6-2-8-15(22(31)13(6)24(33)34)16-10(21(30)20(8)29)5-11-17(23(16)32)19(28)9-3-7(25)4-12(26)14(9)18(11)27/h2-5,20-21,25-26,29-32H,1H3,(H,33,34)/t20-,21-/m0/s1", "name": "11-O-Demethylpradinone I", "names": [ "11-O-Demethylpradinone I" ] }, { "compound_id": "C06776", "inchi": "InChI=1S/C27H21NO11/c1-7-3-10-17(24(35)15(7)26(37)28-8(2)27(38)39)18-12(23(34)22(10)33)6-13-19(25(18)36)21(32)11-4-9(29)5-14(30)16(11)20(13)31/h3-6,8,22-23,29-30,33-36H,1-2H3,(H,28,37)(H,38,39)/t8?,22-,23-/m0/s1", "name": "11-O-Demethylpradimicinone I", "names": [ "11-O-Demethylpradimicinone I" ] }, { "compound_id": "C06777", "inchi": "InChI=1S/C28H23NO11/c1-8-4-11-18(25(35)16(8)27(37)29-9(2)28(38)39)19-13(24(34)23(11)33)7-14-20(26(19)36)22(32)12-5-10(40-3)6-15(30)17(12)21(14)31/h4-7,9,23-24,30,33-36H,1-3H3,(H,29,37)(H,38,39)/t9?,23-,24-/m0/s1", "name": "Pradimicinone I", "names": [ "Pradimicinone I" ] }, { "compound_id": "C06778", "inchi": "InChI=1S/C27H21NO12/c1-6-3-9-14(21(33)12(6)26(38)28-7(2)27(39)40)15-16(25(37)20(9)32)24(36)18-17(23(15)35)19(31)10-4-8(29)5-11(30)13(10)22(18)34/h3-5,7,20,25,29-30,32-33,35-37H,1-2H3,(H,28,38)(H,39,40)/t7?,20-,25-/m0/s1", "name": "11-O-Demethylpradimicinone II", "names": [ "11-O-Demethylpradimicinone II", "Benamicin C" ] }, { "compound_id": "C06779", "inchi": "InChI=1S/C28H23NO12/c1-7-4-10-15(22(34)13(7)27(38)29-8(2)28(39)40)16-18(25(37)21(10)33)26(41-3)19-17(24(16)36)20(32)11-5-9(30)6-12(31)14(11)23(19)35/h4-6,8,21,25,30-31,33-34,36-37H,1-3H3,(H,29,38)(H,39,40)/t8?,21-,25-/m0/s1", "name": "11-O-Demethyl-7-methoxypradimicinone II", "names": [ "11-O-Demethyl-7-methoxypradimicinone II" ] }, { "compound_id": "C06780", "inchi": "InChI=1S/C28H23NO12/c1-7-4-10-15(22(33)13(7)27(38)29-8(2)28(39)40)16-17(26(37)21(10)32)25(36)19-18(24(16)35)20(31)11-5-9(41-3)6-12(30)14(11)23(19)34/h4-6,8,21,26,30,32-33,35-37H,1-3H3,(H,29,38)(H,39,40)/t8?,21-,26-/m0/s1", "name": "Pradimicinone II", "names": [ "Pradimicinone II" ] }, { "compound_id": "C06781", "inchi": "InChI=1S/C29H25NO12/c1-8-5-11-16(23(34)14(8)28(38)30-9(2)29(39)40)17-19(26(37)22(11)33)27(42-4)20-18(25(17)36)21(32)12-6-10(41-3)7-13(31)15(12)24(20)35/h5-7,9,22,26,31,33-34,36-37H,1-4H3,(H,30,38)(H,39,40)/t9?,22-,26-/m0/s1", "name": "7-Methoxypradimicinone II", "names": [ "7-Methoxypradimicinone II" ] }, { "compound_id": "C06782", "inchi": "InChI=1S/C40H44N2O19/c1-10-6-15-20(28(47)18(10)37(54)42-11(2)38(55)56)21-22(31(50)24-23(30(21)49)26(45)14-7-13(57-5)8-16(43)19(14)29(24)48)32(51)35(15)60-40-34(53)36(25(41-4)12(3)59-40)61-39-33(52)27(46)17(44)9-58-39/h6-8,11-12,17,25,27,32-36,39-41,43-44,46-47,49-53H,9H2,1-5H3,(H,42,54)(H,55,56)/t11?,12-,17-,25+,27+,32+,33-,34-,35+,36?,39?,40+/m1/s1", "name": "7-Hydroxylpradimicin A", "names": [ "7-Hydroxylpradimicin A" ] }, { "compound_id": "C06783", "inchi": "InChI=1S/C35H36N2O14/c1-10-6-17-22(28(42)19(10)33(46)37-11(2)34(47)48)21-15(27(41)32(17)51-35-31(45)30(44)24(36-4)12(3)50-35)9-16-23(29(21)43)26(40)14-7-13(49-5)8-18(38)20(14)25(16)39/h6-9,11-12,24,27,30-32,35-36,38,41-45H,1-5H3,(H,37,46)(H,47,48)/t11?,12-,24+,27+,30+,31-,32+,35+/m1/s1", "name": "Pradimicin B", "names": [ "Pradimicin B" ] }, { "compound_id": "C06784", "inchi": "InChI=1S/C40H44N2O18/c1-11-6-18-24(31(49)21(11)37(53)42-12(2)38(54)55)23-16(9-17-25(32(23)50)28(46)15-7-14(56-5)8-19(43)22(15)27(17)45)29(47)35(18)59-40-34(52)36(26(41-4)13(3)58-40)60-39-33(51)30(48)20(44)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-41,43-44,47-52H,10H2,1-5H3,(H,42,53)(H,54,55)/t12?,13-,20-,26+,29+,30+,33-,34-,35+,36?,39?,40+/m1/s1", "name": "Pradimicin A", "names": [ "Pradimicin A" ] }, { "compound_id": "C06785", "inchi": "InChI=1S/C34H34N2O14/c1-9-5-16-21(27(41)18(9)32(45)36-10(2)33(46)47)20-14(26(40)31(16)50-34-30(44)29(43)23(35)11(3)49-34)8-15-22(28(20)42)25(39)13-6-12(48-4)7-17(37)19(13)24(15)38/h5-8,10-11,23,26,29-31,34,37,40-44H,35H2,1-4H3,(H,36,45)(H,46,47)/t10?,11-,23+,26+,29+,30-,31+,34+/m1/s1", "name": "Dexylosylpradimicin C", "names": [ "Dexylosylpradimicin C" ] }, { "compound_id": "C06786", "inchi": "InChI=1S/C39H42N2O18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9,40H2,1-4H3,(H,41,52)(H,53,54)/t11?,12-,19-,25+,28+,29+,32-,33-,34+,35?,38?,39+/m1/s1", "name": "Pradimicin C", "names": [ "Benanomicin B", "Pradimicin C" ] }, { "compound_id": "C06787", "inchi": "InChI=1S/C34H33NO15/c1-9-5-16-21(27(41)18(9)32(45)35-10(2)33(46)47)20-14(26(40)31(16)50-34-30(44)29(43)23(37)11(3)49-34)8-15-22(28(20)42)25(39)13-6-12(48-4)7-17(36)19(13)24(15)38/h5-8,10-11,23,26,29-31,34,36-37,40-44H,1-4H3,(H,35,45)(H,46,47)/t10?,11-,23+,26+,29+,30-,31+,34+/m1/s1", "name": "Dexylosylbenanomicin A", "names": [ "Dexylosylbenanomicin A" ] }, { "compound_id": "C06788", "inchi": "InChI=1S/C39H41NO19/c1-10-5-17-23(30(48)20(10)36(52)40-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(41)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(43)12(3)57-39)59-38-32(50)29(47)19(42)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,41-43,46-51H,9H2,1-4H3,(H,40,52)(H,53,54)/t11?,12-,19-,25+,28+,29+,32-,33-,34+,35?,38?,39+/m1/s1", "name": "Benanomicin A", "names": [ "Benanomicin A" ] }, { "compound_id": "C06789", "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6", "name": "Tetrachloroethene", "names": [ "PCE", "Perchloroethylene", "Tetrachloroethene" ] }, { "compound_id": "C06790", "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H", "name": "Trichloroethene", "names": [ "TCE", "Trichloroethene", "Trichloroethylene" ] }, { "compound_id": "C06791", "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+", "name": "trans-1,2-Dichloroethene", "names": [ "trans-1,2-Dichloroethene", "trans-Acetylene dichloride" ] }, { "compound_id": "C06792", "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-", "name": "cis-1,2-Dichloroethene", "names": [ "cis-1,2-Dichloroethene", "cis-Acetylene dichloride" ] }, { "compound_id": "C06793", "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2", "name": "Vinyl chloride", "names": [ "Chloroethylene", "Vinyl chloride" ] }, { "compound_id": "C06799", "inchi": "InChI=1S/C22H20O10/c1-5-11-15(21-8(30-5)4-10(24)32-21)19(27)13-14(17(11)25)20(28)16-12(18(13)26)7-3-9(23)22(16,29)6(2)31-7/h5-9,21,23,26,28-29H,3-4H2,1-2H3/t5-,6+,7+,8-,9+,21+,22+/m0/s1", "name": "Granaticin", "names": [ "Granaticin" ] }, { "compound_id": "C06800", "inchi": "InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3", "name": "Aflatoxin B1", "names": [ "Aflatoxin B1" ] }, { "compound_id": "C06801", "inchi": "InChI=1S/C23H20O11/c1-8-14-9(6-11(32-2)15(8)21(29)34-4)5-10-16(17(14)25)20(28)22(30)13(24)7-12(33-3)19(27)23(22,31)18(10)26/h5-7,19,25,27,30-31H,1-4H3/t19-,22-,23-/m1/s1", "name": "Tetracenomycin C", "names": [ "Tetracenomycin C" ] }, { "compound_id": "C06802", "inchi": "InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1", "name": "Acarbose", "names": [ "Acarbose" ] }, { "compound_id": "C06803", "inchi": "InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)", "name": "Acebutolol", "names": [ "Acebutolol" ] }, { "compound_id": "C06804", "inchi": "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)", "name": "Acetaminophen", "names": [ "Acetaminophen", "Paracetamol" ] }, { "compound_id": "C06805", "inchi": "InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)", "name": "Acetazolamide", "names": [ "Acetazolamide" ] }, { "compound_id": "C06806", "inchi": "InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)", "name": "Acetohexamide", "names": [ "Acetohexamide" ] }, { "compound_id": "C06807", "inchi": "InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-21-23(17-19)29-22-6-3-2-5-20(22)26(21)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3", "name": "Acetophenazine", "names": [ "Acetophenazine" ] }, { "compound_id": "C06808", "inchi": "InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)", "name": "Acetohydroxamic acid", "names": [ "Acetohydroxamic acid" ] }, { "compound_id": "C06809", "inchi": "InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)", "name": "Acetylcysteine", "names": [ "Acetylcysteine" ] }, { "compound_id": "C06810", "inchi": "InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)", "name": "Acyclovir", "names": [ "Aciclovir", "Acyclovir" ] }, { "compound_id": "C06812", "inchi": "InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1", "name": "Lincomycin", "names": [ "Lincomycin" ] }, { "compound_id": "C06813", "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H", "name": "Nitrobenzene", "names": [ "Nitrobenzene", "Nitrobenzol" ] }, { "compound_id": "C06814", "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1", "name": "D-Xylose-5-phosphate", "names": [ "D-Xylose-5-phosphate" ] }, { "compound_id": "C06817", "inchi": "InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3", "name": "Alprazolam", "names": [ "Alprazolam" ] }, { "compound_id": "C06818", "inchi": "InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2", "name": "Amantadine", "names": [ "Amantadine" ] }, { "compound_id": "C06819", "inchi": "InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)", "name": "Amifostine", "names": [ "Amifostine" ] }, { "compound_id": "C06820", "inchi": "InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1", "name": "Amikacin", "names": [ "Amikacin" ] }, { "compound_id": "C06821", "inchi": "InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)", "name": "Amiloride", "names": [ "Amiloride" ] }, { "compound_id": "C06823", "inchi": "InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3", "name": "Amiodarone", "names": [ "Amiodarone" ] }, { "compound_id": "C06824", "inchi": "InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3", "name": "Amitriptyline", "names": [ "Amitriptyline" ] }, { "compound_id": "C06825", "inchi": "InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3", "name": "Amlodipine", "names": [ "Amlodipine" ] }, { "compound_id": "C06827", "inchi": "InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1", "name": "Amoxicillin", "names": [ "Amoxicillin", "Amoxicillin anhydrous" ] }, { "compound_id": "C06830", "inchi": "InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,16+;", "name": "Anisotropine methylbromide", "names": [ "Anisotropine methylbromide", "Methyloctatropine bromide" ] }, { "compound_id": "C06831", "inchi": "InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2", "name": "Dithranol", "names": [ "Anthralin", "Dithranol" ] }, { "compound_id": "C06832", "inchi": "InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)", "name": "Astemizole", "names": [ "Astemizole" ] }, { "compound_id": "C06834", "inchi": "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1", "name": "Atorvastatin", "names": [ "Atorvastatin" ] }, { "compound_id": "C06835", "inchi": "InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-", "name": "Atovaquone", "names": [ "Acuvel", "Atovaquone", "Mepron", "Wellvone" ] }, { "compound_id": "C06837", "inchi": "InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)", "name": "Azathioprine", "names": [ "Azathioprine" ] }, { "compound_id": "C06838", "inchi": "InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22?,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1", "name": "Azithromycin", "names": [ "Azithromycin" ] }, { "compound_id": "C06839", "inchi": "InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12+,13-,16+/m0/s1", "name": "Azlocillin", "names": [ "Azlocillin" ] }, { "compound_id": "C06840", "inchi": "InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1", "name": "Aztreonam", "names": [ "Aztreonam", "Monobactam" ] }, { "compound_id": "C06842", "inchi": "InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1", "name": "Beclomethasone", "names": [ "Beclomethasone" ] }, { "compound_id": "C06843", "inchi": "InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1", "name": "Benazepril", "names": [ "Benazepril" ] }, { "compound_id": "C06846", "inchi": "InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19-/m1/s1", "name": "Benztropine", "names": [ "Benzatropine", "Benztropine" ] }, { "compound_id": "C06847", "inchi": "InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3", "name": "Bepridil", "names": [ "Bepridil" ] }, { "compound_id": "C06848", "inchi": "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1", "name": "Betamethasone", "names": [ "Betamethasone" ] }, { "compound_id": "C06849", "inchi": "InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3", "name": "Betaxolol", "names": [ "Betaxolol" ] }, { "compound_id": "C06850", "inchi": "InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1", "name": "Bethanechol", "names": [ "Bethanechol" ] }, { "compound_id": "C06852", "inchi": "InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3", "name": "Bisoprolol", "names": [ "Bisoprolol" ] }, { "compound_id": "C06853", "inchi": "InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3", "name": "Bitolterol", "names": [ "Bitolterol" ] }, { "compound_id": "C06854", "inchi": "InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41?,42-,43?,53?,54?/m0/s1", "name": "Bleomycin A2", "names": [ "Bleomycin A2" ] }, { "compound_id": "C06855", "inchi": "InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1", "name": "Bretylium", "names": [ "Bretylium" ] }, { "compound_id": "C06856", "inchi": "InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31?,32+/m1/s1", "name": "Bromocriptine", "names": [ "Bromocriptine" ] }, { "compound_id": "C06857", "inchi": "InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3", "name": "Brompheniramine", "names": [ "Brompheniramine" ] }, { "compound_id": "C06860", "inchi": "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3", "name": "Bupropion", "names": [ "Bupropion" ] }, { "compound_id": "C06861", "inchi": "InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2", "name": "Buspirone", "names": [ "Buspirone" ] }, { "compound_id": "C06862", "inchi": "InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3", "name": "Busulfan", "names": [ "Busulfan" ] }, { "compound_id": "C06863", "inchi": "InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1", "name": "Butorphanol", "names": [ "Butorphanol" ] }, { "compound_id": "C06865", "inchi": "InChI=1S/C145H240N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99-63-239-238-62-79(148)117(210)178-96(59-191)134(227)174-92(52-104(151)202)131(224)172-90(49-69(9)10)129(222)180-98(61-193)135(228)187-114(74(16)197)142(235)181-99)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)", "name": "Calcitonin", "names": [ "Calcitonin", "Cibacalcin" ] }, { "compound_id": "C06866", "inchi": "InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+", "name": "Capsaicin", "names": [ "Capsaicin" ] }, { "compound_id": "C06868", "inchi": "InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)", "name": "Carbamazepine", "names": [ "Carbamazepine" ] }, { "compound_id": "C06869", "inchi": "InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1", "name": "Carbenicillin", "names": [ "Carbenicillin" ] }, { "compound_id": "C06870", "inchi": "InChI=1S/C10H14N2O4.C9H11NO4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h2-4,12-14H,5,11H2,1H3,(H,15,16);1-2,4,6,11-12H,3,10H2,(H,13,14)/t;6-/m.0/s1", "name": "Carbidopa-levodopa", "names": [ "Carbidopa-levodopa" ] }, { "compound_id": "C06871", "inchi": "InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3", "name": "Carbinoxamine", "names": [ "Carbinoxamine" ] }, { "compound_id": "C06872", "inchi": "InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1", "name": "Carboprost", "names": [ "Carboprost" ] }, { "compound_id": "C06873", "inchi": "InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)", "name": "Carmustine", "names": [ "BCNU", "Bischloroethyl nitrosourea", "Carmustine" ] }, { "compound_id": "C06874", "inchi": "InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)", "name": "Carteolol", "names": [ "Carteolol" ] }, { "compound_id": "C06875", "inchi": "InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3", "name": "Carvedilol", "names": [ "Carvedilol" ] }, { "compound_id": "C06876", "inchi": "InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H", "name": "Nitrosobenzene", "names": [ "Nitrosobenzene" ] }, { "compound_id": "C06877", "inchi": "InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1", "name": "Cefaclor", "names": [ "Cefaclor" ] }, { "compound_id": "C06878", "inchi": "InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1", "name": "Cefadroxil", "names": [ "Cefadroxil" ] }, { "compound_id": "C06879", "inchi": "InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1", "name": "Cefamandole", "names": [ "Cefamandole" ] }, { "compound_id": "C06880", "inchi": "InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1", "name": "Cefazolin", "names": [ "Cefazolin" ] }, { "compound_id": "C06881", "inchi": "InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1", "name": "Cefixime", "names": [ "Cefixime" ] }, { "compound_id": "C06882", "inchi": "InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1", "name": "Cefonicid", "names": [ "Cefonicid" ] }, { "compound_id": "C06883", "inchi": "InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1", "name": "Cefoperazone", "names": [ "Cefoperazone" ] }, { "compound_id": "C06884", "inchi": "InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1", "name": "Ceforanide", "names": [ "Ceforanide" ] }, { "compound_id": "C06885", "inchi": "InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1", "name": "Cefotaxime", "names": [ "Cefotaxime" ] }, { "compound_id": "C06886", "inchi": "InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1", "name": "Cefotetan", "names": [ "Cefotetan" ] }, { "compound_id": "C06887", "inchi": "InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1", "name": "Cefoxitin", "names": [ "Cefoxitin" ] }, { "compound_id": "C06888", "inchi": "InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1", "name": "Cefprozil", "names": [ "Cefprozil", "Cefprozil anhydrous" ] }, { "compound_id": "C06889", "inchi": "InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1", "name": "Ceftazidime", "names": [ "Ceftazidime" ] }, { "compound_id": "C06890", "inchi": "InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1", "name": "Ceftizoxime", "names": [ "Ceftizoxime" ] }, { "compound_id": "C06891", "inchi": "InChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4,6-9,11H/t2-,4+,6-/m1/s1", "name": "D-2,3-Diketo 4-deoxy-epi-inositol", "names": [ "D-2,3-Diketo 4-deoxy-epi-inositol", "DKDI" ] }, { "compound_id": "C06892", "inchi": "InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h3,6-8,12H,1-2H2,(H,10,11)/t3-,6+/m1/s1", "name": "2-Deoxy-5-keto-D-gluconic acid", "names": [ "2-Deoxy-5-keto-D-gluconic acid", "DKH" ] }, { "compound_id": "C06893", "inchi": "InChI=1S/C6H11O9P/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14/h3,6-7,11H,1-2H2,(H,9,10)(H2,12,13,14)/t3-,6+/m1/s1", "name": "2-Deoxy-5-keto-D-gluconic acid 6-phosphate", "names": [ "2-Deoxy-5-keto-D-gluconic acid 6-phosphate", "6-Phospho-5-dehydro-2-deoxy-D-gluconate", "DKHP" ] }, { "compound_id": "C06894", "inchi": "InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1", "name": "Cefuroxime", "names": [ "Cefuroxime" ] }, { "compound_id": "C06895", "inchi": "InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1", "name": "Cephalexin", "names": [ "Cefalexin", "Cephalexin" ] }, { "compound_id": "C06896", "inchi": "InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1", "name": "Cephapirin", "names": [ "Cephapirin" ] }, { "compound_id": "C06897", "inchi": "InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1", "name": "Cephradine", "names": [ "Cefradine", "Cephradine" ] }, { "compound_id": "C06899", "inchi": "InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H", "name": "Chloral hydrate", "names": [ "Chloral hydrate" ] }, { "compound_id": "C06900", "inchi": "InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)", "name": "Chlorambucil", "names": [ "Chlorambucil" ] }, { "compound_id": "C06902", "inchi": "InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)", "name": "Chlorhexidine", "names": [ "Chlorhexidine" ] }, { "compound_id": "C06905", "inchi": "InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3", "name": "Chlorpheniramine", "names": [ "Chlorphenamine", "Chlorpheniramine" ] }, { "compound_id": "C06906", "inchi": "InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3", "name": "Chlorpromazine", "names": [ "Chlorpromazine" ] }, { "compound_id": "C06909", "inchi": "InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)", "name": "Cidofovir", "names": [ "Cidofovir", "Cidofovir anhydrous" ] }, { "compound_id": "C06910", "inchi": "InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)", "name": "Cisapride", "names": [ "Cisapride" ] }, { "compound_id": "C06911", "inchi": "InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2", "name": "Cisplatin", "names": [ "CDDP", "Cisplatin", "[PtCl2(NH3)2]", "cis-Diamminedichloroplatinum(II)" ] }, { "compound_id": "C06912", "inchi": "InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1", "name": "Clarithromycin", "names": [ "Clarithromycin" ] }, { "compound_id": "C06913", "inchi": "InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1", "name": "Clemastine", "names": [ "Clemastine" ] }, { "compound_id": "C06914", "inchi": "InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14?,15+,16+,18+/m0/s1", "name": "Clindamycin", "names": [ "Clindamycin" ] }, { "compound_id": "C06915", "inchi": "InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+", "name": "Clofazimine", "names": [ "Clofazimine" ] }, { "compound_id": "C06916", "inchi": "InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3", "name": "Clofibrate", "names": [ "Clofibrate" ] }, { "compound_id": "C06917", "inchi": "InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-", "name": "Clomiphene", "names": [ "Clomiphene" ] }, { "compound_id": "C06918", "inchi": "InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3", "name": "Clomipramine", "names": [ "Clomipramine" ] }, { "compound_id": "C06921", "inchi": "InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)", "name": "Clorazepate", "names": [ "Clorazepate", "Clorazepic acid" ] }, { "compound_id": "C06922", "inchi": "InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H", "name": "Clotrimazole", "names": [ "Clotrimazole" ] }, { "compound_id": "C06923", "inchi": "InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1", "name": "Cloxacillin", "names": [ "Cloxacillin" ] }, { "compound_id": "C06924", "inchi": "InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3", "name": "Clozapine", "names": [ "Clozapine" ] }, { "compound_id": "C06925", "inchi": "InChI=1S/C8H23N5.C3H5ClO/c9-1-3-11-5-7-13-8-6-12-4-2-10;4-1-3-2-5-3/h11-13H,1-10H2;3H,1-2H2", "name": "Colestipol", "names": [ "Colestipol", "Epichlorohydrin-tetraethylenepentamine polymer" ] }, { "compound_id": "C06926", "inchi": "InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86?,88-,89-,90+,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,109+,110+,111+/m1/s1", "name": "Cosyntropin", "names": [ "Cosyntropin" ] }, { "compound_id": "C06928", "inchi": "InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)", "name": "Cromolyn", "names": [ "Cromoglicic acid", "Cromolyn" ] }, { "compound_id": "C06930", "inchi": "InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3", "name": "Cyclizine", "names": [ "Cyclizine" ] }, { "compound_id": "C06931", "inchi": "InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3", "name": "Cyclobenzaprine", "names": [ "Cyclobenzaprine" ] }, { "compound_id": "C06932", "inchi": "InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3", "name": "Cyclopentolate", "names": [ "Cyclopentolate" ] }, { "compound_id": "C06933", "inchi": "InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2", "name": "Cyclophosphamide", "names": [ "Cyclophosphamide", "Cyclophosphamide hydrate" ] }, { "compound_id": "C06935", "inchi": "InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3", "name": "Cyproheptadine", "names": [ "Cyproheptadine" ] }, { "compound_id": "C06936", "inchi": "InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+", "name": "Dacarbazine", "names": [ "Dacarbazine" ] }, { "compound_id": "C06938", "inchi": "InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1", "name": "Danazol", "names": [ "Danazol" ] }, { "compound_id": "C06939", "inchi": "InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+", "name": "Dantrolene", "names": [ "Dantrolene" ] }, { "compound_id": "C06940", "inchi": "InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)", "name": "Deferoxamine", "names": [ "Deferoxamine" ] }, { "compound_id": "C06941", "inchi": "InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3", "name": "Delavirdine", "names": [ "Delavirdine" ] }, { "compound_id": "C06943", "inchi": "InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3", "name": "Desipramine", "names": [ "Desipramine" ] }, { "compound_id": "C06944", "inchi": "InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)", "name": "Desmopressin", "names": [ "Desmopressin" ] }, { "compound_id": "C06946", "inchi": "InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1", "name": "Dexchlorpheniramine", "names": [ "Dexchlorpheniramine" ] }, { "compound_id": "C06947", "inchi": "InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1", "name": "Dextromethorphan", "names": [ "Dextromethorphan" ] }, { "compound_id": "C06948", "inchi": "InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3", "name": "Diazepam", "names": [ "Diazepam" ] }, { "compound_id": "C06949", "inchi": "InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)", "name": "Diazoxide", "names": [ "Diazoxide" ] }, { "compound_id": "C06950", "inchi": "InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1", "name": "Dicloxacillin", "names": [ "Dicloxacillin" ] }, { "compound_id": "C06951", "inchi": "InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3", "name": "Dicyclomine", "names": [ "Dicyclomine", "Dicycloverin" ] }, { "compound_id": "C06952", "inchi": "InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)", "name": "Cimetidine", "names": [ "Cimetidine" ] }, { "compound_id": "C06953", "inchi": "InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1", "name": "Didanosine", "names": [ "Didanosine" ] }, { "compound_id": "C06954", "inchi": "InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3", "name": "Diethylpropion", "names": [ "Amfepramone", "Diethylpropion" ] }, { "compound_id": "C06955", "inchi": "InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1", "name": "Digitoxin", "names": [ "Digitoxin" ] }, { "compound_id": "C06956", "inchi": "InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1", "name": "Digoxin", "names": [ "Digoxin" ] }, { "compound_id": "C06957", "inchi": "InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26?,27?,28+/m0/s1", "name": "Dihydrotachysterol", "names": [ "Dihydrotachysterol" ] }, { "compound_id": "C06958", "inchi": "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1", "name": "Diltiazem", "names": [ "Diltiazem" ] }, { "compound_id": "C06960", "inchi": "InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3", "name": "Diphenhydramine", "names": [ "Diphenhydramine" ] }, { "compound_id": "C06961", "inchi": "InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2", "name": "Diphenidol", "names": [ "Diphenidol" ] }, { "compound_id": "C06963", "inchi": "InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3", "name": "Dipivefrin", "names": [ "Dipivefrin", "Dipivefrine" ] }, { "compound_id": "C06965", "inchi": "InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)", "name": "Disopyramide", "names": [ "Disopyramide" ] }, { "compound_id": "C06967", "inchi": "InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3", "name": "Dobutamine", "names": [ "Dobutamine" ] }, { "compound_id": "C06969", "inchi": "InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1", "name": "Dorzolamide", "names": [ "Dorzolamide" ] }, { "compound_id": "C06970", "inchi": "InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)", "name": "Doxazosin", "names": [ "Doxazosin" ] }, { "compound_id": "C06971", "inchi": "InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3", "name": "Doxepin", "names": [ "Doxepin" ] }, { "compound_id": "C06972", "inchi": "InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1", "name": "Dronabinol", "names": [ "Dronabinol", "THC", "Tetrahydrocannabinol", "delta9-Tetrahydrocannabinol" ] }, { "compound_id": "C06973", "inchi": "InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1", "name": "Doxycycline", "names": [ "Doxycycline" ] }, { "compound_id": "C06975", "inchi": "InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1", "name": "Echothiophate", "names": [ "Echothiophate" ] }, { "compound_id": "C06976", "inchi": "InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1", "name": "Edrophonium", "names": [ "Edrophonium" ] }, { "compound_id": "C06977", "inchi": "InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1", "name": "Enalapril", "names": [ "Enalapril" ] }, { "compound_id": "C06978", "inchi": "InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)", "name": "Encainide", "names": [ "Encainide" ] }, { "compound_id": "C06979", "inchi": "InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)", "name": "Enoxacin", "names": [ "Enoxacin" ] }, { "compound_id": "C06980", "inchi": "InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3", "name": "Esmolol", "names": [ "Esmolol" ] }, { "compound_id": "C06981", "inchi": "InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2", "name": "Estazolam", "names": [ "Estazolam" ] }, { "compound_id": "C06984", "inchi": "InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1", "name": "Ethambutol", "names": [ "Ethambutol" ] }, { "compound_id": "C06986", "inchi": "InChI=1S/C11H8O4/c12-9-5-6-11(14-9)8-4-2-1-3-7(8)10(13)15-11/h1-4H,5-6H2", "name": "Spirodilactone", "names": [ "Spirodilactone" ] }, { "compound_id": "C06988", "inchi": "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-", "name": "beta-1,2,3,4,5,6-Hexachlorocyclohexane", "names": [ "beta-1,2,3,4,5,6-Hexachlorocyclohexane", "beta-BHC", "beta-Hexachlorocyclohexane", "beta-Lindane" ] }, { "compound_id": "C06989", "inchi": "InChI=1S/C6H6Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-6H", "name": "delta-3,4,5,6-Tetrachlorocyclohexene", "names": [ "3,4,5,6-Tetrachlorocyclohexene", "delta-3,4,5,6-Tetrachlorocyclohexene" ] }, { "compound_id": "C06990", "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H", "name": "Chlorobenzene", "names": [ "Benzene chloride", "Chlorobenzene", "Monochlorobenzene", "Phenyl chloride" ] }, { "compound_id": "C06991", "inchi": "InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)", "name": "Etodolac", "names": [ "Etodolac" ] }, { "compound_id": "C06996", "inchi": "InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3", "name": "Fenfluramine", "names": [ "Fenfluramine" ] }, { "compound_id": "C06997", "inchi": "InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)", "name": "Fenoprofen", "names": [ "Fenoprofen" ] }, { "compound_id": "C06999", "inchi": "InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)", "name": "Fexofenadine", "names": [ "4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid", "Fexofenadine" ] }, { "compound_id": "C07001", "inchi": "InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)", "name": "Flecainide", "names": [ "Flecainide" ] }, { "compound_id": "C07004", "inchi": "InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1", "name": "Fludrocortisone", "names": [ "Fludrocortisone" ] }, { "compound_id": "C07005", "inchi": "InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1", "name": "Flunisolide", "names": [ "Flunisolide", "Flunisolide anhydrous" ] }, { "compound_id": "C07006", "inchi": "InChI=1S/C21H26F2O6/c1-18-4-3-10(25)5-13(18)14(22)6-12-11-7-15(26)21(29,17(28)9-24)19(11,2)8-16(27)20(12,18)23/h3-5,11-12,14-16,24,26-27,29H,6-9H2,1-2H3/t11-,12-,14-,15+,16-,18-,19-,20-,21-/m0/s1", "name": "Fluocinolone", "names": [ "Fluocinolone" ] }, { "compound_id": "C07007", "inchi": "InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1", "name": "Fluocinonide", "names": [ "Fluocinonide" ] }, { "compound_id": "C07010", "inchi": "InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2", "name": "Fluphenazine", "names": [ "Fluphenazine" ] }, { "compound_id": "C07014", "inchi": "InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m0/s1", "name": "Fluvastatin", "names": [ "Fluvastatin" ] }, { "compound_id": "C07016", "inchi": "InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39?/m1/s1", "name": "Fosinopril", "names": [ "Fosinopril" ] }, { "compound_id": "C07017", "inchi": "InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)", "name": "Furosemide", "names": [ "Furosemide" ] }, { "compound_id": "C07020", "inchi": "InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)", "name": "Gemfibrozil", "names": [ "Gemfibrozil" ] }, { "compound_id": "C07022", "inchi": "InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)", "name": "Glyburide", "names": [ "Glibenclamide", "Glyburide" ] }, { "compound_id": "C07023", "inchi": "InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+", "name": "Granisetron", "names": [ "Granisetron" ] }, { "compound_id": "C07024", "inchi": "InChI=1S/C10H14N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,7,10,17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,7-,10-/m1/s1", "name": "3'-Keto-3'-deoxy-ATP", "names": [ "3'-Keto-3'-deoxy-ATP" ] }, { "compound_id": "C07025", "inchi": "InChI=1S/C10H12N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,7,10,17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,7-,10-/m1/s1", "name": "3'-Keto-3'-deoxy-AMP", "names": [ "3'-Keto-3'-deoxy-AMP" ] }, { "compound_id": "C07026", "inchi": "InChI=1S/C10H15N6O6P/c11-5-4(1-21-23(18,19)20)22-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1", "name": "3'-Amino-3'-deoxy-AMP", "names": [ "3'-Amino-3'-deoxy-AMP" ] }, { "compound_id": "C07027", "inchi": "InChI=1S/C19H24N7O8P/c20-11(5-9-1-3-10(27)4-2-9)18(29)25-13-12(6-33-35(30,31)32)34-19(15(13)28)26-8-24-14-16(21)22-7-23-17(14)26/h1-4,7-8,11-13,15,19,27-28H,5-6,20H2,(H,25,29)(H2,21,22,23)(H2,30,31,32)/t11-,12+,13+,15+,19+/m0/s1", "name": "N6,N6,O-Tridemethylpuromycin-5'-phosphate", "names": [ "N6,N6,O-Tridemethylpuromycin-5'-phosphate" ] }, { "compound_id": "C07028", "inchi": "InChI=1S/C21H26N7O9P/c1-10(29)26-13(6-11-2-4-12(30)5-3-11)20(32)27-15-14(7-36-38(33,34)35)37-21(17(15)31)28-9-25-16-18(22)23-8-24-19(16)28/h2-5,8-9,13-15,17,21,30-31H,6-7H2,1H3,(H,26,29)(H,27,32)(H2,22,23,24)(H2,33,34,35)/t13-,14+,15+,17+,21+/m0/s1", "name": "N-Acetyl-N6,N6,O-tridemethylpuromycin-5'-phosphate", "names": [ "N-Acetyl-N6,N6,O-tridemethylpuromycin-5'-phosphate" ] }, { "compound_id": "C07029", "inchi": "InChI=1S/C22H28N7O9P/c1-11(30)27-14(7-12-3-5-13(31)6-4-12)21(33)28-16-15(8-37-39(34,35)36)38-22(18(16)32)29-10-26-17-19(23-2)24-9-25-20(17)29/h3-6,9-10,14-16,18,22,31-32H,7-8H2,1-2H3,(H,27,30)(H,28,33)(H,23,24,25)(H2,34,35,36)/t14-,15+,16+,18+,22+/m0/s1", "name": "N-Acetyl-N6,O-didemethylpuromycin-5'-phosphate", "names": [ "N-Acetyl-N6,O-didemethylpuromycin-5'-phosphate" ] }, { "compound_id": "C07030", "inchi": "InChI=1S/C23H30N7O9P/c1-12(31)27-15(8-13-4-6-14(32)7-5-13)22(34)28-17-16(9-38-40(35,36)37)39-23(19(17)33)30-11-26-18-20(29(2)3)24-10-25-21(18)30/h4-7,10-11,15-17,19,23,32-33H,8-9H2,1-3H3,(H,27,31)(H,28,34)(H2,35,36,37)/t15-,16+,17+,19+,23+/m0/s1", "name": "N-Acetyl-O-demethylpuromycin-5'-phosphate", "names": [ "N-Acetyl-O-demethylpuromycin-5'-phosphate" ] }, { "compound_id": "C07031", "inchi": "InChI=1S/C23H29N7O6/c1-12(32)27-15(8-13-4-6-14(33)7-5-13)22(35)28-17-16(9-31)36-23(19(17)34)30-11-26-18-20(29(2)3)24-10-25-21(18)30/h4-7,10-11,15-17,19,23,31,33-34H,8-9H2,1-3H3,(H,27,32)(H,28,35)/t15-,16+,17+,19+,23+/m0/s1", "name": "N-Acetyl-O-demethylpuromycin", "names": [ "N-Acetyl-O-demethylpuromycin" ] }, { "compound_id": "C07032", "inchi": "InChI=1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16-,17+,18+,20+,24+/m0/s1", "name": "N-Acetylpuromycin", "names": [ "N-Acetylpuromycin" ] }, { "compound_id": "C07034", "inchi": "InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+", "name": "Guanabenz", "names": [ "Guanabenz" ] }, { "compound_id": "C07035", "inchi": "InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)", "name": "Guanadrel", "names": [ "Guanadrel" ] }, { "compound_id": "C07036", "inchi": "InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)", "name": "Guanethidine", "names": [ "Guanethidine" ] }, { "compound_id": "C07037", "inchi": "InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)", "name": "Guanfacine", "names": [ "Guanfacine" ] }, { "compound_id": "C07040", "inchi": "InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)", "name": "Hydralazine", "names": [ "Hydralazine" ] }, { "compound_id": "C07041", "inchi": "InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)", "name": "Hydrochlorothiazide", "names": [ "Hydrochlorothiazide" ] }, { "compound_id": "C07042", "inchi": "InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1", "name": "Hydromorphone", "names": [ "Hydromorphone" ] }, { "compound_id": "C07043", "inchi": "InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)", "name": "Hydroxychloroquine", "names": [ "Hydroxychloroquine" ] }, { "compound_id": "C07044", "inchi": "InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)", "name": "Hydroxyurea", "names": [ "Hydroxycarbamide", "Hydroxyurea" ] }, { "compound_id": "C07045", "inchi": "InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2", "name": "Hydroxyzine", "names": [ "Hydroxyzine" ] }, { "compound_id": "C07047", "inchi": "InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)", "name": "Ifosfamide", "names": [ "Ifosfamide", "Isophosphamide" ] }, { "compound_id": "C07049", "inchi": "InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3", "name": "Imipramine", "names": [ "Imipramine" ] }, { "compound_id": "C07051", "inchi": "InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1", "name": "Indinavir", "names": [ "Indinavir" ] }, { "compound_id": "C07052", "inchi": "InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21?", "name": "Ipratropium", "names": [ "Ipratropium" ] }, { "compound_id": "C07053", "inchi": "InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3", "name": "Isoetharine", "names": [ "Isoetharine" ] }, { "compound_id": "C07054", "inchi": "InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)", "name": "Isoniazid", "names": [ "Isoniazid" ] }, { "compound_id": "C07055", "inchi": "InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1", "name": "Isopropamide", "names": [ "Isopropamide" ] }, { "compound_id": "C07056", "inchi": "InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3", "name": "Isoproterenol", "names": [ "Isoprenaline", "Isoproterenol" ] }, { "compound_id": "C07062", "inchi": "InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)", "name": "Ketorolac", "names": [ "Ketorolac" ] }, { "compound_id": "C07063", "inchi": "InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)", "name": "Labetalol", "names": [ "Labetalol" ] }, { "compound_id": "C07064", "inchi": "InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9?,10+,11?,12-/m1/s1", "name": "Lactulose", "names": [ "Lactulose" ] }, { "compound_id": "C07065", "inchi": "InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1", "name": "Lamivudine", "names": [ "2',3'-Dideoxy-3'-thiacytidine", "3TC", "Lamivudine" ] }, { "compound_id": "C07069", "inchi": "InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1", "name": "Levallorphan", "names": [ "Levallorphan" ] }, { "compound_id": "C07070", "inchi": "InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1", "name": "Levamisole", "names": [ "Levamisole" ] }, { "compound_id": "C07072", "inchi": "InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)", "name": "Losartan", "names": [ "Losartan" ] }, { "compound_id": "C07073", "inchi": "InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)", "name": "Lidocaine", "names": [ "Lidocaine" ] }, { "compound_id": "C07074", "inchi": "InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1", "name": "Lovastatin", "names": [ "Lovastatin" ] }, { "compound_id": "C07075", "inchi": "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+", "name": "Lindane", "names": [ "1,2,3,4,5,6-Hexachlorocyclohexane", "Benzene hexachloride", "Lindane", "gamma-BHC", "gamma-Hexachlorocyclohexane" ] }, { "compound_id": "C07078", "inchi": "InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)", "name": "Lomefloxacin", "names": [ "Lomefloxacin" ] }, { "compound_id": "C07079", "inchi": "InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)", "name": "Lomustine", "names": [ "1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea", "Lomustine" ] }, { "compound_id": "C07080", "inchi": "InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3", "name": "Loperamide", "names": [ "Loperamide" ] }, { "compound_id": "C07083", "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2", "name": "Styrene", "names": [ "Phenylethylene", "Styrene" ] }, { "compound_id": "C07084", "inchi": "InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h2-5,7-10H,1H2", "name": "Styrene cis-glycol", "names": [ "Styrene cis-glycol" ] }, { "compound_id": "C07085", "inchi": "InChI=1S/C8H8O2/c1-2-6-4-3-5-7(9)8(6)10/h2-5,9-10H,1H2", "name": "3-Vinylcatechol", "names": [ "3-Vinylcatechol" ] }, { "compound_id": "C07086", "inchi": "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)", "name": "Phenylacetic acid", "names": [ "Benzeneacetic acid", "Benzylformic acid", "Phenylacetate", "Phenylacetic acid" ] }, { "compound_id": "C07087", "inchi": "InChI=1S/C8H8O4/c1-2-6(9)4-3-5-7(10)8(11)12/h2-5,10H,1H2,(H,11,12)/b4-3+,7-5-", "name": "2-Hydroxy-6-oxoocta-2,4,7-trienoate", "names": [ "2-Hydroxy-6-oxoocta-2,4,7-trienoate" ] }, { "compound_id": "C07088", "inchi": "InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)", "name": "4-Chlorophenoxyacetate", "names": [ "4-CPA", "4-Chlorophenoxyacetate" ] }, { "compound_id": "C07089", "inchi": "InChI=1S/C6H5ClO4/c7-4(3-8)1-2-5(9)6(10)11/h1-3,9H,(H,10,11)/b4-1+,5-2+", "name": "5-Chloro-2-hydroxymuconic semialdehyde", "names": [ "5-Chloro-2-hydroxymuconic semialdehyde" ] }, { "compound_id": "C07090", "inchi": "InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2", "name": "Protoanemonin", "names": [ "4-Methylenebut-2-en-4-olide", "Protoanemonin", "cis-4-Methylenebut-2-en-4-olide" ] }, { "compound_id": "C07091", "inchi": "InChI=1S/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8)/b3-2-", "name": "cis-Acetylacrylate", "names": [ "cis-Acetylacrylate" ] }, { "compound_id": "C07092", "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H", "name": "1,4-Dichlorobenzene", "names": [ "1,4-Dichlorobenzene", "p-Dichlorobenzene" ] }, { "compound_id": "C07093", "inchi": "InChI=1S/C6H6Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6,9-10H", "name": "3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene", "names": [ "3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene" ] }, { "compound_id": "C07094", "inchi": "InChI=1S/C6H4Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H", "name": "3,6-Dichlorocatechol", "names": [ "3,6-Dichlorocatechol" ] }, { "compound_id": "C07095", "inchi": "InChI=1S/C6H4Cl2O4/c7-3(5(9)10)1-2-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b3-1+,4-2+", "name": "2,5-Dichloro-cis,cis-muconate", "names": [ "2,5-Dichloro-cis,cis-muconate" ] }, { "compound_id": "C07096", "inchi": "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H", "name": "2,6-Dichlorophenol", "names": [ "2,6-Dichlorophenol" ] }, { "compound_id": "C07097", "inchi": "InChI=1S/C6H4Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H", "name": "2,6-Dichlorohydroquinone", "names": [ "2,6-Dichlorohydroquinone" ] }, { "compound_id": "C07098", "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H", "name": "2,4,6-Trichlorophenol", "names": [ "2,4,6-Trichlorophenol" ] }, { "compound_id": "C07099", "inchi": "InChI=1S/C6H3Cl3O2/c7-2-1-3(10)4(8)5(9)6(2)11/h1,10-11H", "name": "2,3,6-Trichlorohydroquinone", "names": [ "2,3,6-Trichlorohydroquinone" ] }, { "compound_id": "C07100", "inchi": "InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)", "name": "2,4,5-Trichlorophenoxyacetic acid", "names": [ "2,4,5-T", "2,4,5-Trichlorophenoxyacetic acid" ] }, { "compound_id": "C07101", "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H", "name": "2,4,5-Trichlorophenol", "names": [ "2,4,5-Trichlorophenol" ] }, { "compound_id": "C07102", "inchi": "InChI=1S/C6H5ClO3/c7-3-1-5(9)6(10)2-4(3)8/h1-2,8-10H", "name": "5-Chloro-1,2,4-trihydroxybenzene", "names": [ "5-Chloro-1,2,4-trihydroxybenzene" ] }, { "compound_id": "C07103", "inchi": "InChI=1S/C6H4O3/c7-4-1-2-5(8)6(9)3-4/h1-3,9H", "name": "2-Hydroxy-1,4-benzoquinone", "names": [ "2-Hydroxy-1,4-benzoquinone", "Hydroxybenzoquinone" ] }, { "compound_id": "C07104", "inchi": "InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3", "name": "Loxapine", "names": [ "Loxapine" ] }, { "compound_id": "C07105", "inchi": "InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)", "name": "Lys-vasopressin", "names": [ "8-L-Lysine vasopressin", "LVP", "Lypressin", "Lys-vasopressin" ] }, { "compound_id": "C07106", "inchi": "InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)", "name": "Mafenide", "names": [ "Mafenide" ] }, { "compound_id": "C07107", "inchi": "InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3", "name": "Maprotiline", "names": [ "Maprotiline" ] }, { "compound_id": "C07108", "inchi": "InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-", "name": "Tamoxifen", "names": [ "Tamoxifen" ] }, { "compound_id": "C07111", "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", "name": "Ethylbenzene", "names": [ "Ethylbenzene", "Ethylbenzol", "Ethylenzene", "Phenylethane" ] }, { "compound_id": "C07112", "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3", "name": "1-Phenylethanol", "names": [ "(r)-(+)-1-phenyl ethanol", ")-1-Phenyl ethanol", ")-1-phenyl ethanol", "1-Phenylethanol", "Methylphenyl carbinol", "alpha-Methylbenzyl alcohol" ] }, { "compound_id": "C07113", "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3", "name": "Acetophenone", "names": [ "1-Phenyl-1-ethanone", "1-Phenylethanone", "1-phenyl-1-ethanone", "Acetophenone", "Acetylbenzene", "Methyl phenyl ketone", "Phenyl methyl ketone" ] }, { "compound_id": "C07114", "inchi": "InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)", "name": "3-Oxo-3-phenylpropanoate", "names": [ "3-Oxo-3-phenylpropanoate", "3-Oxo-3-phenylpropionate", "3-Oxo-3-phenylpropionic acid", "Benzoylacetate" ] }, { "compound_id": "C07115", "inchi": "InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3", "name": "Nitrogen mustard", "names": [ "Chlormethine", "Mechlorethamine", "Nitrogen mustard" ] }, { "compound_id": "C07116", "inchi": "InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3", "name": "Meclizine", "names": [ "Meclizine", "Meclozine" ] }, { "compound_id": "C07117", "inchi": "InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)", "name": "Meclofenamate", "names": [ "Meclofenamate", "Meclofenamic acid" ] }, { "compound_id": "C07118", "inchi": "InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)12-18(38)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-7,15-16,19,23-25,29,41-42H,8-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25?,29-/m1/s1", "name": "Benzoyl acetyl-CoA", "names": [ "Benzoyl acetyl coenzyme A", "Benzoyl acetyl-CoA" ] }, { "compound_id": "C07119", "inchi": "InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1", "name": "Medroxyprogesterone", "names": [ "Medroxyprogesterone" ] }, { "compound_id": "C07120", "inchi": "InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1", "name": "Megestrol", "names": [ "Megestrol" ] }, { "compound_id": "C07122", "inchi": "InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1", "name": "Melphalan", "names": [ "Melphalan" ] }, { "compound_id": "C07123", "inchi": "InChI=1S/C8H10O4/c1-2-6(9)4-3-5-7(10)8(11)12/h3-5,10H,2H2,1H3,(H,11,12)/b4-3-,7-5+", "name": "2-Hydroxy-6-oxo-octa-2,4-dienoate", "names": [ "2-Hydroxy-6-oxo-octa-2,4-dienoate" ] }, { "compound_id": "C07124", "inchi": "InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1", "name": "Tamsulosin", "names": [ "Tamsulosin" ] }, { "compound_id": "C07125", "inchi": "InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3", "name": "Temazepam", "names": [ "Temazepam" ] }, { "compound_id": "C07126", "inchi": "InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3", "name": "Menadiol", "names": [ "Menadiol" ] }, { "compound_id": "C07127", "inchi": "InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)", "name": "Terazosin", "names": [ "Terazosin", "Terazosine" ] }, { "compound_id": "C07128", "inchi": "InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3", "name": "Meperidine", "names": [ "Meperidine", "Pethidine" ] }, { "compound_id": "C07129", "inchi": "InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3", "name": "Terbutaline", "names": [ "Terbutaline" ] }, { "compound_id": "C07130", "inchi": "InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)", "name": "Theophylline", "names": [ "1,3-Dimethylxanthine", "Theophylline" ] }, { "compound_id": "C07131", "inchi": "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)", "name": "Thiabendazole", "names": [ "Thiabendazole" ] }, { "compound_id": "C07132", "inchi": "InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3", "name": "Thiethylperazine", "names": [ "Ethylthioperazine", "Thiethylperazine" ] }, { "compound_id": "C07139", "inchi": "InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1", "name": "Ticarcillin", "names": [ "Ticarcillin" ] }, { "compound_id": "C07140", "inchi": "InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2", "name": "Ticlopidine", "names": [ "Ticlopidine" ] }, { "compound_id": "C07141", "inchi": "InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1", "name": "Timolol", "names": [ "Timolol" ] }, { "compound_id": "C07142", "inchi": "InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)", "name": "Tocainide", "names": [ "Tocainide" ] }, { "compound_id": "C07143", "inchi": "InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3", "name": "Mesoridazine", "names": [ "Mesoridazine" ] }, { "compound_id": "C07144", "inchi": "InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3", "name": "Metaproterenol", "names": [ "Metaproterenol", "Orciprenaline" ] }, { "compound_id": "C07146", "inchi": "InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1", "name": "Metaraminol", "names": [ "Metaraminol" ] }, { "compound_id": "C07147", "inchi": "InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)", "name": "Tolazoline", "names": [ "4,5-Dihydro-2-(phenylmethyl)-1H-imidazole", "Tolazoline" ] }, { "compound_id": "C07148", "inchi": "InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)", "name": "Tolbutamide", "names": [ "Tolbutamide" ] }, { "compound_id": "C07149", "inchi": "InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)", "name": "Tolmetin", "names": [ "Tolmetin" ] }, { "compound_id": "C07151", "inchi": "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)", "name": "Metformin", "names": [ "Metformin" ] }, { "compound_id": "C07153", "inchi": "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1", "name": "Tramadol", "names": [ "Tramadol" ] }, { "compound_id": "C07155", "inchi": "InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8?,9-/m1/s1", "name": "Tranylcypromine", "names": [ "Tranylcypromine" ] }, { "compound_id": "C07156", "inchi": "InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2", "name": "Trazodone", "names": [ "Trazodone" ] }, { "compound_id": "C07159", "inchi": "InChI=1/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/f/h12H", "name": "2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate", "names": [ "2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate" ] }, { "compound_id": "C07160", "inchi": "InChI=1S/C31H48N7O18P3S/c1-16-10-18(39)17(31(16,4)5)11-21(41)60-9-8-33-20(40)6-7-34-28(44)25(43)30(2,3)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h10,14-15,17,19,23-25,29,42-43H,6-9,11-13H2,1-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,19-,23-,24-,25?,29-/m1/s1", "name": "2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl-CoA", "names": [ "2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl coenzyme A", "2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl-CoA" ] }, { "compound_id": "C07163", "inchi": "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3", "name": "Methadone", "names": [ "Methadone" ] }, { "compound_id": "C07164", "inchi": "InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1", "name": "Methamphetamine", "names": [ "Methamphetamine" ] }, { "compound_id": "C07165", "inchi": "InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)", "name": "Triclofos", "names": [ "Triclofos" ] }, { "compound_id": "C07166", "inchi": "InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2", "name": "Trientine", "names": [ "Trientine", "Triethylenetetramine" ] }, { "compound_id": "C07168", "inchi": "InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3", "name": "Trifluoperazine", "names": [ "Trifluoperazine" ] }, { "compound_id": "C07171", "inchi": "InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2", "name": "Trihexyphenidyl", "names": [ "Trihexyphenidyl" ] }, { "compound_id": "C07172", "inchi": "InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3", "name": "Trimeprazine", "names": [ "Alimemazine", "Methylpromazine", "Trimeprazine" ] }, { "compound_id": "C07174", "inchi": "InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1", "name": "Trimethaphan", "names": [ "Trimethaphan" ] }, { "compound_id": "C07175", "inchi": "InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3", "name": "Methdilazine", "names": [ "Methdilazine" ] }, { "compound_id": "C07177", "inchi": "InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1", "name": "Methicillin", "names": [ "Methicillin" ] }, { "compound_id": "C07178", "inchi": "InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)", "name": "Trimethobenzamide", "names": [ "Trimethobenzamide" ] }, { "compound_id": "C07180", "inchi": "InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3", "name": "Tripelennamine", "names": [ "Tripelennamine" ] }, { "compound_id": "C07182", "inchi": "InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2", "name": "Tromethamine", "names": [ "2-Amino-2-(hydroxymethyl)-1,3-propanediol", "Trometamol", "Tromethamine" ] }, { "compound_id": "C07184", "inchi": "InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1", "name": "Valacyclovir", "names": [ "BW 256U87", "Valacyclovir", "Valacyclovir hydrochloride" ] }, { "compound_id": "C07185", "inchi": "InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)", "name": "Valproic acid", "names": [ "Valproic acid" ] }, { "compound_id": "C07187", "inchi": "InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3", "name": "Venlafaxine", "names": [ "Venlafaxine" ] }, { "compound_id": "C07188", "inchi": "InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3", "name": "Verapamil", "names": [ "Verapamil" ] }, { "compound_id": "C07189", "inchi": "InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2", "name": "2-Hydroxyacetophenone", "names": [ "2-Hydroxyacetophenone", "omega-Hydroxyacetophenone" ] }, { "compound_id": "C07190", "inchi": "InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)", "name": "Thiamazole", "names": [ "Methimazole", "Thiamazole" ] }, { "compound_id": "C07192", "inchi": "InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1", "name": "Methotrimeprazine", "names": [ "Levomepromazine", "Methotrimeprazine" ] }, { "compound_id": "C07194", "inchi": "InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1", "name": "Methyldopa anhydrous", "names": [ "Methyldopa", "Methyldopa anhydrous" ] }, { "compound_id": "C07195", "inchi": "InChI=1S/C10H13N5O4.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1H2/t4-,6-,7?,10-;/m1./s1", "name": "Vidarabine", "names": [ "9-beta-D-Arabino furanosyl adenine monohydrate", "Vidarabine" ] }, { "compound_id": "C07196", "inchi": "InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3", "name": "Methylphenidate", "names": [ "Methylphenidate" ] }, { "compound_id": "C07198", "inchi": "InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1", "name": "Methyltestosterone", "names": [ "Methyltestosterone" ] }, { "compound_id": "C07199", "inchi": "InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1", "name": "Methysergide", "names": [ "Methysergide" ] }, { "compound_id": "C07201", "inchi": "InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1", "name": "Vinblastine", "names": [ "Vinblastine" ] }, { "compound_id": "C07202", "inchi": "InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3", "name": "Metoprolol", "names": [ "Metoprolol" ] }, { "compound_id": "C07203", "inchi": "InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3", "name": "Metronidazole", "names": [ "Metronidazole" ] }, { "compound_id": "C07204", "inchi": "InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1", "name": "Vincristine", "names": [ "22-Oxovincaleukoblastine", "Vincristine" ] }, { "compound_id": "C07205", "inchi": "InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3", "name": "Metyrapone", "names": [ "Metyrapone" ] }, { "compound_id": "C07206", "inchi": "InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)", "name": "Zafirlukast", "names": [ "Zafirlukast" ] }, { "compound_id": "C07207", "inchi": "InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1", "name": "Zalcitabine", "names": [ "2',3'-Dideoxycytidine", "Zalcitabine" ] }, { "compound_id": "C07208", "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", "name": "m-Xylene", "names": [ "1,3-Dimethylbenzene", "1,3-Xylene", "m-Xylene" ] }, { "compound_id": "C07209", "inchi": "InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3", "name": "3-Methylbenzaldehyde", "names": [ "3-Methylbenzaldehyde", "m-Tolualdehyde" ] }, { "compound_id": "C07210", "inchi": "InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1", "name": "Zidovudine", "names": [ "3'-Azido-3'-deoxythymidine", "AZT", "Zidovudine" ] }, { "compound_id": "C07211", "inchi": "InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)", "name": "m-Methylbenzoate", "names": [ "3-methylbenzoic acid", "beta-Bethylbenzoic acid", "m-Methylbenzoate", "m-Toluic Acid", "m-Toluylic acid" ] }, { "compound_id": "C07212", "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3", "name": "o-Xylene", "names": [ "o-Dimethylbenzene", "o-Methyltoluene", "o-Xylene" ] }, { "compound_id": "C07213", "inchi": "InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3", "name": "2-Methylbenzyl alcohol", "names": [ "2-Methylbenzyl alcohol" ] }, { "compound_id": "C07214", "inchi": "InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3", "name": "2-Methylbenzaldehyde", "names": [ "2-Formyltoluene", "2-Methylbenzaldehyde", "o-Tolualdehyde", "o-Toluic aldehyde" ] }, { "compound_id": "C07215", "inchi": "InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)", "name": "o-Toluate", "names": [ "2-Methylbenzoic acid", "o-Methylbenzoate", "o-Toluate", "o-Toluic Acid" ] }, { "compound_id": "C07216", "inchi": "InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3", "name": "3-Methylbenzyl alcohol", "names": [ "3-Methylbenzyl alcohol" ] }, { "compound_id": "C07218", "inchi": "InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1", "name": "Zolmitriptan", "names": [ "311C90", "Zolmitriptan" ] }, { "compound_id": "C07219", "inchi": "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3", "name": "Zolpidem", "names": [ "Zolpidem" ] }, { "compound_id": "C07220", "inchi": "InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3", "name": "Mexiletine", "names": [ "Mexiletine" ] }, { "compound_id": "C07221", "inchi": "InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1", "name": "Mezlin", "names": [ "Mezlin", "Mezlocillin" ] }, { "compound_id": "C07222", "inchi": "InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1", "name": "Mibefradil", "names": [ "Mibefradil" ] }, { "compound_id": "C07224", "inchi": "InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)", "name": "Milrinone", "names": [ "Milrinone" ] }, { "compound_id": "C07225", "inchi": "InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1", "name": "Minocycline", "names": [ "Minocycline" ] }, { "compound_id": "C07228", "inchi": "InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2", "name": "Raloxifene", "names": [ "LY 139481", "Raloxifene" ] }, { "compound_id": "C07230", "inchi": "InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3", "name": "Molindone", "names": [ "Molindone" ] }, { "compound_id": "C07231", "inchi": "InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1", "name": "Moxalactam", "names": [ "Latamoxef", "Moxalactam" ] }, { "compound_id": "C07235", "inchi": "InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1", "name": "Rifabutin", "names": [ "Rifabutin" ] }, { "compound_id": "C07236", "inchi": "InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3", "name": "Rimantadine", "names": [ "Rimantadine" ] }, { "compound_id": "C07239", "inchi": "InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1", "name": "Ritodrine", "names": [ "Ritodrine" ] }, { "compound_id": "C07240", "inchi": "InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1", "name": "Ritonavir", "names": [ "Ritonavir" ] }, { "compound_id": "C07241", "inchi": "InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2", "name": "Salmeterol", "names": [ "Salmeterol" ] }, { "compound_id": "C07245", "inchi": "InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1", "name": "Selegiline", "names": [ "Selegiline" ] }, { "compound_id": "C07246", "inchi": "InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1", "name": "Sertraline", "names": [ "Sertraline" ] }, { "compound_id": "C07247", "inchi": "InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3", "name": "Sibutramine", "names": [ "Sibutramine" ] }, { "compound_id": "C07250", "inchi": "InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1", "name": "Nafcillin", "names": [ "Nafcillin" ] }, { "compound_id": "C07251", "inchi": "InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1", "name": "Nalbuphine", "names": [ "Nalbuphine" ] }, { "compound_id": "C07252", "inchi": "InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1", "name": "Naloxone", "names": [ "Naloxone" ] }, { "compound_id": "C07253", "inchi": "InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1", "name": "Naltrexone", "names": [ "Naltrexone" ] }, { "compound_id": "C07254", "inchi": "InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1", "name": "Nandrolone", "names": [ "Nandrolone" ] }, { "compound_id": "C07255", "inchi": "InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)", "name": "Nedocromil", "names": [ "Nedocromil" ] }, { "compound_id": "C07256", "inchi": "InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3", "name": "Nefazodone", "names": [ "Nefazodone" ] }, { "compound_id": "C07257", "inchi": "InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1", "name": "Nelfinavir", "names": [ "Nelfinavir" ] }, { "compound_id": "C07258", "inchi": "InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1", "name": "Neostigmine", "names": [ "Neostigmine" ] }, { "compound_id": "C07259", "inchi": "InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)", "name": "Sildenafil", "names": [ "Sildenafil" ] }, { "compound_id": "C07261", "inchi": "InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3", "name": "Octamethyltrisiloxane", "names": [ "Octamethyltrisiloxane" ] }, { "compound_id": "C07263", "inchi": "InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)", "name": "Nevirapine", "names": [ "Nevirapine" ] }, { "compound_id": "C07264", "inchi": "InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3", "name": "Nicardipine", "names": [ "Nicardipine" ] }, { "compound_id": "C07266", "inchi": "InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3", "name": "Nifedipine", "names": [ "Nifedipine" ] }, { "compound_id": "C07267", "inchi": "InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3", "name": "Nimodipine", "names": [ "Nimodipine" ] }, { "compound_id": "C07268", "inchi": "InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+", "name": "Nitrofurantoin", "names": [ "Nitrofurantoin" ] }, { "compound_id": "C07269", "inchi": "InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;+1;-1", "name": "Nitroprusside", "names": [ "Nitroprusside" ] }, { "compound_id": "C07270", "inchi": "InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+", "name": "Nizatidine", "names": [ "Nizatidine" ] }, { "compound_id": "C07271", "inchi": "InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1", "name": "Limonene-1,2-epoxide", "names": [ "(4R)-Limonene-1,2-epoxide", "Limonene oxide", "Limonene-1,2-epoxide" ] }, { "compound_id": "C07272", "inchi": "InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)", "name": "Maleimide", "names": [ "2,5-Pyrroledione", "Maleimide" ] }, { "compound_id": "C07273", "inchi": "InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)", "name": "Succinimide", "names": [ "2,5-Diketopyrrolidine", "2,5-Pyrrolidinedione", "Butanimide", "Succinimide" ] }, { "compound_id": "C07274", "inchi": "InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3", "name": "Nortriptyline", "names": [ "Nortriptyline" ] }, { "compound_id": "C07275", "inchi": "InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)", "name": "Glutarimide", "names": [ "2,6-Diketopiperidine", "Glutarimide", "Piperidine-2,6-dione" ] }, { "compound_id": "C07276", "inchi": "InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1", "name": "Limonene-1,2-diol", "names": [ "(1S,2S,4R)-Limonene-1,2-diol", "(1S,2S,4R)-Menth-8-ene-1,2-diol", "Limonene-1,2-diol" ] }, { "compound_id": "C07277", "inchi": "InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1", "name": "dTDP-D-fucose", "names": [ "dTDP-D-fucose" ] }, { "compound_id": "C07278", "inchi": "InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13?,14+/m1/s1", "name": "beta-D-Galactosyl-(1->3)-N-acetyl-D-galactosamine", "names": [ "beta-D-Galactopyranosyl-(1->3)-N-acetyl-D-galactosamine", "beta-D-Galactosyl-(1->3)-N-acetyl-D-galactosamine" ] }, { "compound_id": "C07279", "inchi": "InChI=1S/C2H8AsNO3/c4-2-1-3(5,6)7/h1-2,4H2,(H2,5,6,7)", "name": "2-Aminoethylarsonate", "names": [ "2-Aminoethylarsonate", "2-Aminoethylarsonic acid" ] }, { "compound_id": "C07280", "inchi": "InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)", "name": "Rhodanine", "names": [ "2-Thioxo-4-thiazolidinone", "Rhodanine" ] }, { "compound_id": "C07281", "inchi": null, "name": "[eIF5A-precursor]-lysine", "names": [ "[eIF5A-precursor]-lysine", "[enzyme]-lysine" ] }, { "compound_id": "C07282", "inchi": null, "name": "[eIF5A-precursor]-deoxyhypusine", "names": [ "Protein N6-(4-Aminobutyl)-L-lysine", "[eIF5A-precursor]-deoxyhypusine" ] }, { "compound_id": "C07283", "inchi": "InChI=1S/C18H32O16/c19-1-4-13(11(26)16(29)34-15(4)28)32-18-12(27)14(8(23)6(3-21)31-18)33-17-10(25)9(24)7(22)5(2-20)30-17/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13+,14+,15+,16-,17+,18+/m1/s1", "name": "(1->3)-beta-D-Galactopyranans", "names": [ "(1->3)-beta-D-Galactans", "(1->3)-beta-D-Galactopyranans" ] }, { "compound_id": "C07285", "inchi": "InChI=1S/C11H20O10/c12-1-4-6(15)9(8(17)10(18)20-4)21-11-7(16)5(14)3(13)2-19-11/h3-18H,1-2H2/t3-,4+,5-,6-,7+,8+,9?,10?,11?/m0/s1", "name": "Arabino-galactose", "names": [ "Arabino-galactose" ] }, { "compound_id": "C07287", "inchi": "InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3", "name": "Sulcatone", "names": [ "6-Methyl-5-hepten-2-one", "6-Methylhept-5-en-2-one", "Methylheptenone", "Sulcatone" ] }, { "compound_id": "C07288", "inchi": "InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3", "name": "Sulcatol", "names": [ "6-Methyl-5-hepten-2-ol", "6-Methylhept-5-en-2-ol", "Sulcatol" ] }, { "compound_id": "C07289", "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9-", "name": "Crepenynate", "names": [ "(9Z)-Octadec-9-en-12-ynoate", "(Z)-9-Octadecen-12-ynoic acid", "Crepenynate", "Crepenynic acid" ] }, { "compound_id": "C07290", "inchi": "InChI=1S/C21H20O6/c1-11(2)4-6-14-17(26-3)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(22)8-16(13)23/h4-5,7-10,22-24H,6H2,1-3H3", "name": "7-O-Methylluteone", "names": [ "7-O-Methylluteone" ] }, { "compound_id": "C07291", "inchi": null, "name": "Dihydrofurano derivative", "names": [ "Dihydrofurano derivative" ] }, { "compound_id": "C07292", "inchi": null, "name": "Glutaredoxin", "names": [ "Glutaredoxin" ] }, { "compound_id": "C07293", "inchi": null, "name": "Glutaredoxin disulfide", "names": [ "Glutaredoxin disulfide" ] }, { "compound_id": "C07294", "inchi": "InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)", "name": "Methylarsonate", "names": [ "MAA", "Methylarsonate", "Methylarsonic acid" ] }, { "compound_id": "C07295", "inchi": "InChI=1S/CH5AsO2/c1-2(3)4/h3-4H,1H3", "name": "Methanearsonous acid", "names": [ "Methanearsonous acid", "Methylarsonite" ] }, { "compound_id": "C07296", "inchi": "InChI=1S/C37H66N7O17P3S/c1-23(2)9-7-10-24(3)11-8-12-25(4)13-14-28(46)65-18-17-39-27(45)15-16-40-35(49)32(48)37(5,6)20-58-64(55,56)61-63(53,54)57-19-26-31(60-62(50,51)52)30(47)36(59-26)44-22-43-29-33(38)41-21-42-34(29)44/h21-26,30-32,36,47-48H,7-20H2,1-6H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t24?,25?,26-,30-,31-,32?,36-/m1/s1", "name": "4,8,12-Trimethyltridecanoyl-CoA", "names": [ "4,8,12-Trimethyltridecanoyl-CoA" ] }, { "compound_id": "C07297", "inchi": "InChI=1S/C40H70N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38(63-29)47-23-46-31-35(41)44-22-45-36(31)47/h22-27,29,32-34,38,50-51H,8-21H2,1-7H3,(H,42,49)(H,43,52)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/t25?,26?,27?,29-,32-,33-,34?,38-/m1/s1", "name": "3-Oxopristanoyl-CoA", "names": [ "3-Oxopristanoyl-CoA" ] }, { "compound_id": "C07299", "inchi": null, "name": "Cutin", "names": [ "Cutin" ] }, { "compound_id": "C07300", "inchi": null, "name": "Cutin monomer", "names": [ "Cutin monomer" ] }, { "compound_id": "C07301", "inchi": "InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)/t7-/m1/s1", "name": "(R)-Mandelamide", "names": [ "(R)-Mandelamide" ] }, { "compound_id": "C07302", "inchi": "InChI=1S/C31H46N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)11-17(39)16-4-5-19(53-3)18(40)10-16)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23-27(32)35-14-36-28(23)38/h4-5,10,14-15,17,20,24-26,30,39-40,43-44H,6-9,11-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t17?,20-,24-,25-,26?,30-/m1/s1", "name": "3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA", "names": [ "3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA" ] }, { "compound_id": "C07303", "inchi": "InChI=1S/C31H46N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)11-18(40)16-4-5-17(39)19(10-16)53-3)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23-27(32)35-14-36-28(23)38/h4-5,10,14-15,18,20,24-26,30,39-40,43-44H,6-9,11-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t18?,20-,24-,25-,26?,30-/m1/s1", "name": "4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA", "names": [ "3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA", "4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA" ] }, { "compound_id": "C07304", "inchi": "InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1", "name": "Deacetylisoipecoside", "names": [ "Deacetylisoipecoside" ] }, { "compound_id": "C07305", "inchi": null, "name": "Products of ATP breakdown", "names": [ "Products of ATP breakdown" ] }, { "compound_id": "C07306", "inchi": "InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)", "name": "Octreotide", "names": [ "D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2->7)-disulfide", "Octreotide" ] }, { "compound_id": "C07307", "inchi": "InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/t12-,14+,16-,19-,20-,21+,22-,24+,25+/m1/s1", "name": "Deacetylipecoside", "names": [ "Deacetylipecoside" ] }, { "compound_id": "C07308", "inchi": "InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)", "name": "Cacodylate", "names": [ "Cacodylate", "Dimethylarsinate" ] }, { "compound_id": "C07309", "inchi": "InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3", "name": "Sotalol", "names": [ "Sotalol" ] }, { "compound_id": "C07310", "inchi": "InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1", "name": "Spironolactone", "names": [ "Spironolactone" ] }, { "compound_id": "C07311", "inchi": "InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1", "name": "Stanozolol", "names": [ "Androstanazole", "Stanozolol" ] }, { "compound_id": "C07312", "inchi": "InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1", "name": "Stavudine", "names": [ "2',3'-Didehydro-3'-deoxythimidine", "Sanilvudine", "Stavudine", "d4T" ] }, { "compound_id": "C07313", "inchi": "InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1", "name": "Streptozocin", "names": [ "Streptozocin", "Zanosar" ] }, { "compound_id": "C07314", "inchi": null, "name": "Sucralfate", "names": [ "Sucralfate" ] }, { "compound_id": "C07315", "inchi": "InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)", "name": "Sulfamethoxazole", "names": [ "Sulfamethoxazole" ] }, { "compound_id": "C07316", "inchi": "InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+", "name": "Sulfasalazine", "names": [ "Salazosulfapyridine", "Salicylazosulfapyridine", "Sulfasalazine" ] }, { "compound_id": "C07317", "inchi": "InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2", "name": "Sulfinpyrazone", "names": [ "Sulfinpyrazone", "Sulfoxyphenylpyrazolidine" ] }, { "compound_id": "C07318", "inchi": "InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3", "name": "Sulfisoxazole", "names": [ "Sulfisoxazole" ] }, { "compound_id": "C07319", "inchi": "InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3", "name": "Sumatriptan", "names": [ "Sumatriptan" ] }, { "compound_id": "C07320", "inchi": "InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)", "name": "Suprofen", "names": [ "Suprofen" ] }, { "compound_id": "C07321", "inchi": "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)", "name": "Ofloxacin", "names": [ "Ofloxacin" ] }, { "compound_id": "C07322", "inchi": "InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3", "name": "Olanzapine", "names": [ "Olanzapine" ] }, { "compound_id": "C07323", "inchi": "InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+", "name": "Olsalazine", "names": [ "Olsalazine" ] }, { "compound_id": "C07324", "inchi": "InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)", "name": "Omeprazole", "names": [ "Omeprazole" ] }, { "compound_id": "C07325", "inchi": "InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3", "name": "Ondansetron", "names": [ "Ondansetron" ] }, { "compound_id": "C07326", "inchi": "InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1", "name": "1,5-Anhydro-D-glucitol", "names": [ "1,5-Anhydro-D-glucitol", "1,5-Anhydro-D-sorbitol", "1,5-Anhydroglucitol" ] }, { "compound_id": "C07327", "inchi": "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H", "name": "3-Pyridinaldehyde", "names": [ "3-Pyridinaldehyde", "3-Pyridinecarboxaldehyde", "Nicotinaldehyde", "Pyridine-3-aldehyde" ] }, { "compound_id": "C07328", "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3", "name": "3-Methylbutanol", "names": [ "3-Methylbutanol", "Isoamyl alcohol", "Isopentyl alcohol" ] }, { "compound_id": "C07329", "inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3", "name": "3-Methylbutanal", "names": [ "3-Methylbutanal", "Isovaleraldehyde" ] }, { "compound_id": "C07330", "inchi": "InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3", "name": "3-Methyl-2-butenal", "names": [ "3,3-Dimethyl-acrylaldehyde", "3-Methyl-2-butenal", "3-Methylbut-2-enal", "Prenal", "Senecialdehyde" ] }, { "compound_id": "C07331", "inchi": "InChI=1S/COS/c2-1-3", "name": "Carbonyl sulfide", "names": [ "Carbonyl sulfide" ] }, { "compound_id": "C07332", "inchi": "InChI=1S/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2", "name": "Dibenzylsuccinate", "names": [ "Dibenzylsuccinate" ] }, { "compound_id": "C07334", "inchi": "InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1", "name": "Oxacillin", "names": [ "Oxacillin" ] }, { "compound_id": "C07335", "inchi": "InChI=1S/C4H8NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h3H,1,5H2,(H,7,8)(H2,9,10,11)/t3-/m0/s1", "name": "2-Amino-3-oxo-4-phosphonooxybutyrate", "names": [ "(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate", "2-Amino-3-oxo-4-phosphonooxybutyrate", "L-2-Amino-3-oxo-4-phosphonooxybutyrate" ] }, { "compound_id": "C07336", "inchi": "InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2", "name": "Quazepam", "names": [ "Quazepam" ] }, { "compound_id": "C07338", "inchi": "InChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/b14-11-,15-12-/t17-/m0/s1", "name": "(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid", "names": [ "(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate", "(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid" ] }, { "compound_id": "C07339", "inchi": "InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)", "name": "Quinacrine", "names": [ "Mepacrine", "Quinacrine" ] }, { "compound_id": "C07340", "inchi": "InChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1", "name": "Quinapril hydrochloride", "names": [ "Quinapril hydrochloride" ] }, { "compound_id": "C07341", "inchi": "InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3", "name": "Oxamniquine", "names": [ "Oxamniquine" ] }, { "compound_id": "C07342", "inchi": "InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)", "name": "Quinethazone", "names": [ "Quinethazone" ] }, { "compound_id": "C07343", "inchi": "InChI=1S/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t26-,27-,28+,29-,32?,33-,34-,35?,39-/m1/s1", "name": "2-Hydroxyphytanoyl-CoA", "names": [ "2-Hydroxyphytanoyl-CoA" ] }, { "compound_id": "C07344", "inchi": "InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/t13-,18-,19+,20+/m0/s1", "name": "3-Hydroxyquinine", "names": [ "3-Hydroxyquinine" ] }, { "compound_id": "C07345", "inchi": "InChI=1S/C5H14NO2/c1-6(2,3)4-5(7)8/h5,7-8H,4H2,1-3H3/q+1", "name": "Betaine aldehyde hydrate", "names": [ "Betaine aldehyde hydrate" ] }, { "compound_id": "C07346", "inchi": "InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1", "name": "Oxandrolone", "names": [ "Oxandrolone" ] }, { "compound_id": "C07347", "inchi": "InChI=1S/C26H38N7O17P3S2/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)15-4-3-8-54-15)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(35)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-14,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1", "name": "Thiophene-2-carbonyl-CoA", "names": [ "Thiophene-2-carbonyl-CoA" ] }, { "compound_id": "C07348", "inchi": "InChI=1S/C26H38N7O18P3S2/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-55-25(39)14-3-4-16(35)56-14)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(36)24(49-13)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-13,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13-,18-,19-,20?,24-/m1/s1", "name": "5-Hydroxythiophene-2-carbonyl-CoA", "names": [ "5-Hydroxythiophene-2-carbonyl-CoA" ] }, { "compound_id": "C07349", "inchi": "InChI=1S/C27H24N4O3/c1-27-25(32)16(28-2)11-19(34-27)30-17-9-5-3-7-13(17)21-22-15(12-29-26(22)33)20-14-8-4-6-10-18(14)31(27)24(20)23(21)30/h3-10,16,19,25,28,32H,11-12H2,1-2H3,(H,29,33)/t16-,19+,25-,27?/m1/s1", "name": "3'-Demethylstaurosporine", "names": [ "3'-Demethoxy-3'-hydroxystaurosporine", "3'-Demethylstaurosporine" ] }, { "compound_id": "C07350", "inchi": "InChI=1S/C11H14O4/c1-6(2)3-8(13)11-9(14)4-7(12)5-10(11)15/h4-6,12,14-15H,3H2,1-2H3", "name": "Phlorisovalerophenone", "names": [ "3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one", "Phlorisovalerophenone" ] }, { "compound_id": "C07351", "inchi": "InChI=1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,11-13H,1-2H3", "name": "Phlorisobutyrophenone", "names": [ "2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone", "Phlorisobutyrophenone" ] }, { "compound_id": "C07354", "inchi": "InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h6-7,10,13,16-17,19-20H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10-/t16-,17-/m0/s1", "name": "(7S,8S)-DiHODE", "names": [ "(7S,8S)-DiHODE", "(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoate", "(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid" ] }, { "compound_id": "C07355", "inchi": "InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10-/t16-,17+/m0/s1", "name": "(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid", "names": [ "(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid", "(Z)-(7S,8S)-Dihydroxyoctadeca-9-enoate", "(Z)-(7S,8S)-Dihydroxyoctadeca-9-enoic acid" ] }, { "compound_id": "C07356", "inchi": "InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)", "name": "Oxaprozin", "names": [ "Oxaprozin" ] }, { "compound_id": "C07357", "inchi": "InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h3-4,6-7,10,13,16-17,19-20H,2,5,8-9,11-12,14-15H2,1H3,(H,21,22)/b4-3-,7-6-,13-10-/t16-,17+/m0/s1", "name": "(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid", "names": [ "(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoate", "(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid" ] }, { "compound_id": "C07359", "inchi": "InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)", "name": "Oxazepam", "names": [ "Oxazepam" ] }, { "compound_id": "C07360", "inchi": "InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3", "name": "Oxybutynin", "names": [ "Oxybutynin" ] }, { "compound_id": "C07361", "inchi": "InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1", "name": "Piperacillin sodium", "names": [ "Piperacillin sodium", "Pipracil" ] }, { "compound_id": "C07362", "inchi": "InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2", "name": "Pipobroman", "names": [ "Pipobroman" ] }, { "compound_id": "C07363", "inchi": "InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)", "name": "Oxymetazoline", "names": [ "Afrin", "Oxymetazoline" ] }, { "compound_id": "C07366", "inchi": "InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2", "name": "Prazepam", "names": [ "Prazepam" ] }, { "compound_id": "C07367", "inchi": "InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2", "name": "Praziquantel", "names": [ "Praziquantel" ] }, { "compound_id": "C07368", "inchi": "InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)", "name": "Prazosin", "names": [ "Prazosin" ] }, { "compound_id": "C07369", "inchi": "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1", "name": "Prednisolone", "names": [ "Prednisolone" ] }, { "compound_id": "C07370", "inchi": "InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1", "name": "Prednisone", "names": [ "Prednisone" ] }, { "compound_id": "C07371", "inchi": "InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)", "name": "Primidone", "names": [ "5-Phenyl-5-ethyl-Hexahydropyrimidine-4,6-dione", "Primidone" ] }, { "compound_id": "C07372", "inchi": "InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)", "name": "Probenecid", "names": [ "Probenecid" ] }, { "compound_id": "C07373", "inchi": "InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3", "name": "Probucol", "names": [ "Probucol" ] }, { "compound_id": "C07375", "inchi": "InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3", "name": "Procaine", "names": [ "Procaine" ] }, { "compound_id": "C07376", "inchi": "InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H", "name": "Procarbazine hydrochloride", "names": [ "Procarbazine hydrochloride" ] }, { "compound_id": "C07378", "inchi": "InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2", "name": "Procyclidine", "names": [ "Procyclidine" ] }, { "compound_id": "C07379", "inchi": "InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3", "name": "Promazine", "names": [ "Promazine" ] }, { "compound_id": "C07381", "inchi": "InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3", "name": "Propafenone", "names": [ "Propafenone" ] }, { "compound_id": "C07383", "inchi": "InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3", "name": "Proparacaine", "names": [ "Proparacaine", "Proxymetacaine" ] }, { "compound_id": "C07384", "inchi": "InChI=1S/C20H24N2OS.ClH/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20;/h6-12,14H,5,13H2,1-4H3;1H", "name": "Propiomazine hydrochloride", "names": [ "Largon", "Propiomazine hydrochloride" ] }, { "compound_id": "C07389", "inchi": "InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+", "name": "Pyrantel pamoate", "names": [ "Pyrantel pamoate" ] }, { "compound_id": "C07391", "inchi": "InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)", "name": "Pyrimethamine", "names": [ "Pyrimethamine" ] }, { "compound_id": "C07393", "inchi": "InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1", "name": "Oxymetholone", "names": [ "Oxymetholone" ] }, { "compound_id": "C07394", "inchi": "InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1", "name": "Paclitaxel", "names": [ "Paclitaxel" ] }, { "compound_id": "C07395", "inchi": "InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)", "name": "Pamidronate", "names": [ "Pamidronate", "Pamidronic acid" ] }, { "compound_id": "C07397", "inchi": "InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2", "name": "Quetiapine", "names": [ "2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol", "Quetiapine" ] }, { "compound_id": "C07398", "inchi": "InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1", "name": "Quinapril", "names": [ "Quinapril" ] }, { "compound_id": "C07400", "inchi": "InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1", "name": "Pralidoxime", "names": [ "Pralidoxime" ] }, { "compound_id": "C07401", "inchi": "InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)", "name": "Procainamide", "names": [ "Procainamide" ] }, { "compound_id": "C07402", "inchi": "InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)", "name": "Procarbazine", "names": [ "Procarbazine" ] }, { "compound_id": "C07403", "inchi": "InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3", "name": "Prochlorperazine", "names": [ "Prochlorperazine" ] }, { "compound_id": "C07404", "inchi": "InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3", "name": "Promethazine", "names": [ "10-(2-Dimethylaminopropyl)phenothiazine", "Promethazine" ] }, { "compound_id": "C07405", "inchi": "InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3", "name": "Propiomazine", "names": [ "Propiomazine" ] }, { "compound_id": "C07406", "inchi": "InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22-/m0/s1", "name": "Propoxyphene", "names": [ "Propoxyphene" ] }, { "compound_id": "C07407", "inchi": "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3", "name": "Propranolol", "names": [ "Propranolol" ] }, { "compound_id": "C07408", "inchi": "InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3", "name": "Protriptyline", "names": [ "Protriptyline" ] }, { "compound_id": "C07409", "inchi": "InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+", "name": "Pyrantel", "names": [ "Pyrantel" ] }, { "compound_id": "C07410", "inchi": "InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1", "name": "Pyridostigmine", "names": [ "Pyridostigmine" ] }, { "compound_id": "C07411", "inchi": "InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3", "name": "Paramethadione", "names": [ "Paramethadione" ] }, { "compound_id": "C07412", "inchi": "InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1", "name": "Pyrvinium", "names": [ "Pyrvinium" ] }, { "compound_id": "C07413", "inchi": "InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1", "name": "Paramethasone", "names": [ "Paramethasone" ] }, { "compound_id": "C07414", "inchi": "InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3", "name": "Pargyline", "names": [ "Pargyline" ] }, { "compound_id": "C07415", "inchi": "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1", "name": "Paroxetine", "names": [ "Paroxetine" ] }, { "compound_id": "C07416", "inchi": "InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1", "name": "Penbutolol", "names": [ "Penbutolol" ] }, { "compound_id": "C07417", "inchi": "InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)", "name": "Penciclovir", "names": [ "Penciclovir" ] }, { "compound_id": "C07418", "inchi": "InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1", "name": "Penicillamine", "names": [ "Penicillamine" ] }, { "compound_id": "C07420", "inchi": "InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)", "name": "Pentamidine", "names": [ "Pentamidine" ] }, { "compound_id": "C07421", "inchi": "InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1", "name": "Pentazocine", "names": [ "Pentazocine" ] }, { "compound_id": "C07422", "inchi": "InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)", "name": "Pentobarbital", "names": [ "5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione", "Pentobarbital" ] }, { "compound_id": "C07423", "inchi": "InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1", "name": "Pentobarbital sodium", "names": [ "Pentobarbital sodium" ] }, { "compound_id": "C07424", "inchi": "InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3", "name": "Pentoxifylline", "names": [ "Pentoxifylline" ] }, { "compound_id": "C07425", "inchi": "InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1", "name": "Pergolide", "names": [ "Pergolide" ] }, { "compound_id": "C07427", "inchi": "InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2", "name": "Perphenazine", "names": [ "4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol", "Perphenazine" ] }, { "compound_id": "C07428", "inchi": "InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)", "name": "Phenacemide", "names": [ "Phenacemide" ] }, { "compound_id": "C07429", "inchi": "InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+", "name": "Phenazopyridine", "names": [ "3-(Phenylazo)-2,6-pyridinediamine", "Phenazopyridine" ] }, { "compound_id": "C07430", "inchi": "InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2", "name": "Phenelzine", "names": [ "Phenelzine" ] }, { "compound_id": "C07431", "inchi": "InChI=1S/C8H12N2.H2O4S/c9-10-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,10H,6-7,9H2;(H2,1,2,3,4)", "name": "Phenelzine sulfate", "names": [ "Phenelzine sulfate" ] }, { "compound_id": "C07432", "inchi": "InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3", "name": "Phenmetrazine", "names": [ "Phenmetrazine" ] }, { "compound_id": "C07433", "inchi": "InChI=1S/C11H15NO.ClH/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;/h2-6,9,11-12H,7-8H2,1H3;1H", "name": "Phenmetrazine hydrochloride", "names": [ "Phenmetrazine hydrochloride", "Preludin" ] }, { "compound_id": "C07434", "inchi": "InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)", "name": "Phenobarbital", "names": [ "Phenobarbital" ] }, { "compound_id": "C07435", "inchi": "InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3", "name": "Phenoxybenzamine", "names": [ "Phenoxybenzamine" ] }, { "compound_id": "C07436", "inchi": "InChI=1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H", "name": "Phenoxybenzamine hydrochloride", "names": [ "Phenoxybenzamine hydrochloride" ] }, { "compound_id": "C07437", "inchi": "InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3", "name": "Phensuximide", "names": [ "Phensuximide" ] }, { "compound_id": "C07438", "inchi": "InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3", "name": "Phentermine", "names": [ "Phentermine", "alpha,alpha-Dimethylphenethylamine" ] }, { "compound_id": "C07440", "inchi": "InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3", "name": "Phenylbutazone", "names": [ "Phenbutazone", "Phenylbutazone" ] }, { "compound_id": "C07441", "inchi": "InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1", "name": "Phenylephrine", "names": [ "Phenylephrine" ] }, { "compound_id": "C07443", "inchi": "InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)", "name": "Phenytoin", "names": [ "Phenytoin" ] }, { "compound_id": "C07445", "inchi": "InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3", "name": "Pindolol", "names": [ "Pindolol" ] }, { "compound_id": "C07446", "inchi": "InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)", "name": "Isonicotinic acid", "names": [ "Isonicotinic acid" ] }, { "compound_id": "C07447", "inchi": "InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)", "name": "Acetylhydrazine", "names": [ "Acetylhydrazine" ] }, { "compound_id": "C07448", "inchi": "InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)", "name": "Burimamide", "names": [ "Burimamide" ] }, { "compound_id": "C07449", "inchi": "InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)", "name": "Metiamide", "names": [ "Metiamide" ] }, { "compound_id": "C07450", "inchi": "InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1", "name": "Dexmedetomidine", "names": [ "Dexmedetomidine" ] }, { "compound_id": "C07451", "inchi": "InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)", "name": "Moxonidine", "names": [ "Moxonidine" ] }, { "compound_id": "C07452", "inchi": "InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)", "name": "Tizanidine", "names": [ "Tizanidine" ] }, { "compound_id": "C07453", "inchi": "InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3", "name": "Epinine", "names": [ "Deoxyepinephrine", "Epinine" ] }, { "compound_id": "C07454", "inchi": "InChI=1S/C6H11N5/c7-6(8)10-2-1-5-3-9-4-11-5/h3-4H,1-2H2,(H,9,11)(H4,7,8,10)", "name": "N-Guanylhistamine", "names": [ "N-Guanylhistamine" ] }, { "compound_id": "C07455", "inchi": "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2", "name": "Nitroglycerin", "names": [ "Glyceryl trinitrate", "Nitroglycerin" ] }, { "compound_id": "C07456", "inchi": "InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1", "name": "Isosorbide dinitrate", "names": [ "Isosorbide dinitrate" ] }, { "compound_id": "C07457", "inchi": "InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3", "name": "Amyl nitrite", "names": [ "Amyl nitrite", "Isoamyl nitrite" ] }, { "compound_id": "C07458", "inchi": "InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)", "name": "Sulfanilamide", "names": [ "Prontosil album", "Sulfamine", "Sulfanilamide" ] }, { "compound_id": "C07459", "inchi": "InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)", "name": "Dichlorphenamide", "names": [ "Dichlorphenamide", "Diclofenamide" ] }, { "compound_id": "C07460", "inchi": "InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)", "name": "Chloraminophenamide", "names": [ "4-Amino-6-chloro-1,3-benzenedisulfonamide", "Chloraminophenamide" ] }, { "compound_id": "C07461", "inchi": "InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)", "name": "Chlorothiazide", "names": [ "Chlorothiazide" ] }, { "compound_id": "C07463", "inchi": "InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3", "name": "Terfenadine", "names": [ "Terfenadine" ] }, { "compound_id": "C07464", "inchi": "InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)", "name": "Ketanserin", "names": [ "Ketanserin" ] }, { "compound_id": "C07465", "inchi": "InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29-,30+/m1/s1", "name": "Remikiren", "names": [ "Remikiren", "Ro 42-5892" ] }, { "compound_id": "C07466", "inchi": "InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1", "name": "Enalkiren", "names": [ "A 64662", "Enalkiren" ] }, { "compound_id": "C07467", "inchi": "InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+", "name": "Eprosartan", "names": [ "Eprosartan" ] }, { "compound_id": "C07468", "inchi": "InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)", "name": "Candesartan", "names": [ "Candesartan" ] }, { "compound_id": "C07469", "inchi": "InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)", "name": "Irbesartan", "names": [ "Irbesartan" ] }, { "compound_id": "C07471", "inchi": "InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1", "name": "Methacholine", "names": [ "Acetyl-beta-methylcholine", "Methacholine" ] }, { "compound_id": "C07473", "inchi": "InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1", "name": "Muscarine", "names": [ "Muscarine" ] }, { "compound_id": "C07474", "inchi": "InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1", "name": "Pilocarpine", "names": [ "Pilocarpine" ] }, { "compound_id": "C07475", "inchi": "InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1", "name": "Lobeline", "names": [ "(-)-Lobeline", "Lobeline" ] }, { "compound_id": "C07478", "inchi": "InChI=1S/C7H8O5/c1-4(6(9)10)2-3-5(8)7(11)12/h2-3,8H,1H3,(H,9,10)(H,11,12)/b4-2-,5-3+", "name": "2-Hydroxy-5-methyl-cis,cis-muconate", "names": [ "2-Hydroxy-5-methyl-cis,cis-muconate" ] }, { "compound_id": "C07479", "inchi": "InChI=1S/C7H8O5/c1-4(6(9)10)2-3-5(8)7(11)12/h2-4H,1H3,(H,9,10)(H,11,12)/b3-2-", "name": "2-Oxo-5-methyl-cis-muconate", "names": [ "2-Oxo-5-methyl-cis-muconate" ] }, { "compound_id": "C07480", "inchi": "InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)", "name": "Theobromine", "names": [ "3,7-Dimethylxanthine", "Theobromine" ] }, { "compound_id": "C07481", "inchi": "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3", "name": "Caffeine", "names": [ "1,3,7-Trimethylxanthine", "Caffeine" ] }, { "compound_id": "C07482", "inchi": "InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1", "name": "Montelukast", "names": [ "Montelukast" ] }, { "compound_id": "C07484", "inchi": "InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3", "name": "Zaleplon", "names": [ "Zaleplon" ] }, { "compound_id": "C07485", "inchi": "InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2", "name": "Oxotremorine", "names": [ "Oxotremorine" ] }, { "compound_id": "C07486", "inchi": "InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)", "name": "Nordazepam", "names": [ "7-Chloro-1,3-dihydro-5-phenyl-(2H)-1,4-benzodiazepin-2-one", "Desmethyldiazepam", "Nordazepam" ] }, { "compound_id": "C07487", "inchi": "InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)", "name": "Nitrazepam", "names": [ "Nitrazepam" ] }, { "compound_id": "C07488", "inchi": "InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1", "name": "DMPP", "names": [ "1,1-Dimethyl-4-phenylpiperazinium Iodide", "DMPP", "Dimethylphenylpiperazinium iodide" ] }, { "compound_id": "C07489", "inchi": "InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)", "name": "Glutethimide", "names": [ "2-Ethyl-2-phenylglutarimide", "Glutethimide" ] }, { "compound_id": "C07490", "inchi": "InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2", "name": "Trichloroethanol", "names": [ "2,2,2-Trichloroethanol", "Trichloroethanol" ] }, { "compound_id": "C07491", "inchi": "InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)", "name": "Carbaryl", "names": [ "Carbaril", "Carbaryl" ] }, { "compound_id": "C07492", "inchi": "InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)", "name": "Oxcarbazepine", "names": [ "Oxcarbazepine" ] }, { "compound_id": "C07493", "inchi": "InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)", "name": "10-Hydroxycarbazepine", "names": [ "10-Hydroxycarbamazepine", "10-Hydroxycarbazepine", "GP 47779" ] }, { "compound_id": "C07494", "inchi": "InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3", "name": "Soman", "names": [ "Soman" ] }, { "compound_id": "C07495", "inchi": "InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)", "name": "Dihydroxycarbazepine", "names": [ "10,11-Dihydro-10,11-dihydroxy-5H-dibenzazepine-5-carboxamide", "10,11-Dihydroxycarbamazepine", "Dihydroxycarbazepine" ] }, { "compound_id": "C07496", "inchi": "InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)", "name": "Carbamazepine-10,11-epoxide", "names": [ "Carbamazepine epoxide", "Carbamazepine-10,11-epoxide" ] }, { "compound_id": "C07497", "inchi": "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3", "name": "Malathion", "names": [ "Malathion" ] }, { "compound_id": "C07498", "inchi": "InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3", "name": "Malaoxon", "names": [ "Malaoxon" ] }, { "compound_id": "C07499", "inchi": "InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)", "name": "Phenylethylmalonamide", "names": [ "2-Phenyl-2-ethylmalondiamide", "PEMA", "Phenylethylmalonamide" ] }, { "compound_id": "C07500", "inchi": "InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)", "name": "Vigabatrin", "names": [ "Vigabatrin" ] }, { "compound_id": "C07501", "inchi": "InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)", "name": "Felbamate", "names": [ "Felbamate" ] }, { "compound_id": "C07502", "inchi": "InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1", "name": "Topiramate", "names": [ "Topiramate" ] }, { "compound_id": "C07503", "inchi": "InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1", "name": "Tiagabine", "names": [ "Tiagabine" ] }, { "compound_id": "C07504", "inchi": "InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)", "name": "Zonisamide", "names": [ "Zonisamide" ] }, { "compound_id": "C07505", "inchi": "InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)", "name": "Ethosuximide", "names": [ "Ethosuximide" ] }, { "compound_id": "C07506", "inchi": "InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1", "name": "Propantheline", "names": [ "Propantheline" ] }, { "compound_id": "C07508", "inchi": "InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)", "name": "Pirenzepine", "names": [ "Pirenzepine" ] }, { "compound_id": "C07509", "inchi": "InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3/b5-3+", "name": "Diacetylmonoxime", "names": [ "2,3-Butanedione monoxime", "Diacetylmonoxime" ] }, { "compound_id": "C07510", "inchi": "InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2", "name": "Hexamethonium", "names": [ "Hexamethonium" ] }, { "compound_id": "C07511", "inchi": "InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3", "name": "Mecamylamine", "names": [ "Mecamylamine", "Versamine" ] }, { "compound_id": "C07512", "inchi": "InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1", "name": "Tetraethylammonium", "names": [ "Tetraethylammonium" ] }, { "compound_id": "C07513", "inchi": "InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3", "name": "Methoxamine", "names": [ "Methoxamine" ] }, { "compound_id": "C07514", "inchi": "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3", "name": "Amphetamine", "names": [ "Amphetamine" ] }, { "compound_id": "C07515", "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H", "name": "Halothane", "names": [ "Halothane" ] }, { "compound_id": "C07516", "inchi": "InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H", "name": "Enflurane", "names": [ "Enflurane" ] }, { "compound_id": "C07517", "inchi": "InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3", "name": "Methoxyflurane", "names": [ "Methoxyflurane" ] }, { "compound_id": "C07518", "inchi": "InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H", "name": "Isoflurane", "names": [ "Isoflurane" ] }, { "compound_id": "C07519", "inchi": "InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H", "name": "Desflurane", "names": [ "Desflurane" ] }, { "compound_id": "C07520", "inchi": "InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2", "name": "Sevoflurane", "names": [ "Sevoflurane" ] }, { "compound_id": "C07521", "inchi": "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)", "name": "Thiopental", "names": [ "Thiopental" ] }, { "compound_id": "C07522", "inchi": "InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3", "name": "Etomidate", "names": [ "1-(1-Phenylethyl)-imidazole-5-carboxylic acid, ethyl ester", "Etomidate" ] }, { "compound_id": "C07523", "inchi": "InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3", "name": "Propofol", "names": [ "2,6-Diisopropylphenol", "Propofol" ] }, { "compound_id": "C07524", "inchi": "InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3", "name": "Midazolam", "names": [ "Midazolam" ] }, { "compound_id": "C07525", "inchi": "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3", "name": "Ketamine", "names": [ "Ketamine" ] }, { "compound_id": "C07526", "inchi": "InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3", "name": "Tetracaine", "names": [ "Amethocaine", "Tetracaine" ] }, { "compound_id": "C07527", "inchi": "InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3", "name": "Benzocaine", "names": [ "Benzocaine", "Ethyl aminobenzoate" ] }, { "compound_id": "C07528", "inchi": "InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)", "name": "Mepivacaine", "names": [ "Mepivacaine" ] }, { "compound_id": "C07529", "inchi": "InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)", "name": "Bupivacaine", "names": [ "Bupivacaine", "Marcaine" ] }, { "compound_id": "C07530", "inchi": "InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)", "name": "Etidocaine", "names": [ "Etidocaine" ] }, { "compound_id": "C07531", "inchi": "InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)", "name": "Prilocaine", "names": [ "Prilocaine" ] }, { "compound_id": "C07532", "inchi": "InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1", "name": "Ropivacaine", "names": [ "Ropivacaine" ] }, { "compound_id": "C07533", "inchi": "InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1", "name": "Prenalterol", "names": [ "Prenalterol" ] }, { "compound_id": "C07534", "inchi": "InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1", "name": "Ethynyl estradiol", "names": [ "17alpha-Ethinyl estradiol", "Ethinyl estradiol", "Ethinylestradiol", "Ethynyl estradiol" ] }, { "compound_id": "C07535", "inchi": "InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H", "name": "Benzo[a]pyrene", "names": [ "Benzo[a]pyrene", "Benzpyrene" ] }, { "compound_id": "C07536", "inchi": "InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)", "name": "Amobarbital", "names": [ "Amobarbital" ] }, { "compound_id": "C07537", "inchi": "InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1", "name": "Ethylmorphine", "names": [ "Ethylmorphine" ] }, { "compound_id": "C07538", "inchi": "InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3", "name": "Benzphetamine", "names": [ "Benzfetamine", "Benzphetamine" ] }, { "compound_id": "C07539", "inchi": "InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3", "name": "Aminopyrine", "names": [ "4-Dimethylaminoantipyrine", "Aminopyrine" ] }, { "compound_id": "C07540", "inchi": "InChI=1S/C15H18N2/c1-17-7-3-5-11-12-4-2-6-13-15(12)10(9-16-13)8-14(11)17/h2,4,6,9,11,14,16H,3,5,7-8H2,1H3/t11-,14-/m1/s1", "name": "6-Methylergoline", "names": [ "6-Methylergoline" ] }, { "compound_id": "C07541", "inchi": "InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10?,14-/m1/s1", "name": "Lysergic acid", "names": [ "Lysergic acid" ] }, { "compound_id": "C07542", "inchi": "InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1", "name": "Lysergic acid diethylamide", "names": [ "LSD", "Lysergic acid diethylamide", "Lysergide" ] }, { "compound_id": "C07543", "inchi": "InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1", "name": "Ergonovine", "names": [ "Ergometrine", "Ergonovine" ] }, { "compound_id": "C07544", "inchi": "InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25?,26+,27?,32-,33+/m1/s1", "name": "Ergotamine", "names": [ "Ergotamine" ] }, { "compound_id": "C07545", "inchi": "InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25?,26+,31?,32?/m1/s1", "name": "alpha-Ergocryptine", "names": [ "alpha-Ergocryptine" ] }, { "compound_id": "C07546", "inchi": "InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2", "name": "Succinylcholine", "names": [ "Succinylcholine", "Suxamethonium" ] }, { "compound_id": "C07547", "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1", "name": "Tubocurarine", "names": [ "Tubocurarine" ] }, { "compound_id": "C07548", "inchi": "InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2", "name": "Atracurium", "names": [ "Atracurium" ] }, { "compound_id": "C07549", "inchi": "InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2", "name": "Doxacurium", "names": [ "Doxacurium" ] }, { "compound_id": "C07550", "inchi": "InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1", "name": "Mivacurium", "names": [ "Mivacurium" ] }, { "compound_id": "C07551", "inchi": "InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33?,34-,35-/m0/s1", "name": "Pancuronium", "names": [ "Pancuronium" ] }, { "compound_id": "C07552", "inchi": "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5-,6-,7?,10-,11-/m0/s1", "name": "Aldrin", "names": [ "Aldrin" ] }, { "compound_id": "C07553", "inchi": "InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32?,33-,34-/m0/s1", "name": "Vecuronium", "names": [ "Vecuronium" ] }, { "compound_id": "C07554", "inchi": "InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33?,34-,35-/m0/s1", "name": "Pipecuronium", "names": [ "Pipecuronium" ] }, { "compound_id": "C07555", "inchi": "InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3", "name": "4-Nitroanisole", "names": [ "4-Nitroanisole", "p-Nitroanisole" ] }, { "compound_id": "C07556", "inchi": "InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1", "name": "Rocuronium", "names": [ "Rocuronium" ] }, { "compound_id": "C07557", "inchi": "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H", "name": "2,3,7,8-Tetrachlorodibenzodioxin", "names": [ "2,3,7,8-Tetrachlorodibenzo-p-dioxin", "2,3,7,8-Tetrachlorodibenzodioxin", "PCDD 48", "TCDD", "Tetrachlorodibenzodioxin" ] }, { "compound_id": "C07558", "inchi": "InChI=1S/C12H20N2O2S2/c1-4-5-8(2)12(6-7-18-3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)", "name": "Methitural", "names": [ "Methitural" ] }, { "compound_id": "C07559", "inchi": "InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3", "name": "Chlorphentermine", "names": [ "Chlorphentermine" ] }, { "compound_id": "C07560", "inchi": "InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3", "name": "Methaqualone", "names": [ "Methaqualone" ] }, { "compound_id": "C07561", "inchi": "InChI=1S/CCl4/c2-1(3,4)5", "name": "Carbon tetrachloride", "names": [ "Carbon tetrachloride", "Tetrachloromethane" ] }, { "compound_id": "C07564", "inchi": "InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)", "name": "Ropinirole", "names": [ "Ropinirole" ] }, { "compound_id": "C07565", "inchi": "InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)", "name": "Acetanilide", "names": [ "Acetanilide", "N-Acetylarylamine", "N-Phenylacetamide" ] }, { "compound_id": "C07566", "inchi": "InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)", "name": "Pimozide", "names": [ "Pimozide" ] }, { "compound_id": "C07567", "inchi": "InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)", "name": "Sertindole", "names": [ "Sertindole" ] }, { "compound_id": "C07568", "inchi": "InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)", "name": "Ziprasidone", "names": [ "Ziprasidone" ] }, { "compound_id": "C07569", "inchi": "InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)", "name": "Propylthiouracil", "names": [ "Propylthiouracil" ] }, { "compound_id": "C07570", "inchi": "InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3", "name": "Mirtazapine", "names": [ "Mirtazapine" ] }, { "compound_id": "C07571", "inchi": "InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+", "name": "Fluvoxamine", "names": [ "Fluvoxamine" ] }, { "compound_id": "C07572", "inchi": "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3", "name": "Citalopram", "names": [ "Citalopram" ] }, { "compound_id": "C07573", "inchi": "InChI=1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)/b17-16+", "name": "Prontosil", "names": [ "Prontosil", "Prontosil rubrum", "Sulfamidochrysoidine" ] }, { "compound_id": "C07574", "inchi": "InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;;", "name": "Tartrazine", "names": [ "Acid Yellow 23", "Tartrazine" ] }, { "compound_id": "C07575", "inchi": "InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2", "name": "Phencyclidine", "names": [ "Phencyclidine" ] }, { "compound_id": "C07576", "inchi": "InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)", "name": "Psilocybin", "names": [ "Psilocybin", "Psilocybine" ] }, { "compound_id": "C07577", "inchi": "InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3", "name": "3,4-Methylenedioxymethamphetamine", "names": [ "3,4-Methylenedioxymethamphetamine", "MDMA", "N-Methyl-3,4-methylenedioxyamphetamine" ] }, { "compound_id": "C07578", "inchi": "InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18?/m0/s1", "name": "Cannabidiol", "names": [ "Cannabidiol" ] }, { "compound_id": "C07580", "inchi": "InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3", "name": "Cannabinol", "names": [ "Cannabinol" ] }, { "compound_id": "C07581", "inchi": "InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H", "name": "Pteridine", "names": [ "Pteridine" ] }, { "compound_id": "C07582", "inchi": "InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)", "name": "Pteroic acid", "names": [ "Pteroic acid", "pteroate" ] }, { "compound_id": "C07584", "inchi": "InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H", "name": "Phenindione", "names": [ "2-Phenyl-1,3-indandione", "Phenindione" ] }, { "compound_id": "C07585", "inchi": "InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13)", "name": "N-Acetylisoniazid", "names": [ "(N)1-Acetylisoniazid", "N-Acetylisoniazid" ] }, { "compound_id": "C07586", "inchi": "InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3", "name": "Fenofibrate", "names": [ "Fenofibrate" ] }, { "compound_id": "C07587", "inchi": "InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1", "name": "Sodium salicylate", "names": [ "Sodium salicylate" ] }, { "compound_id": "C07588", "inchi": "InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)", "name": "Salicyluric acid", "names": [ "N-(2-Hydroxybenzoyl)-glycine", "Salicylurate", "Salicyluric acid" ] }, { "compound_id": "C07589", "inchi": "InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)", "name": "Celecoxib", "names": [ "Celecoxib" ] }, { "compound_id": "C07590", "inchi": "InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3", "name": "Rofecoxib", "names": [ "Rofecoxib" ] }, { "compound_id": "C07591", "inchi": "InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)", "name": "Phenacetin", "names": [ "Acetophenetidin", "Phenacetin" ] }, { "compound_id": "C07592", "inchi": "InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1", "name": "Colchicine", "names": [ "Colchicine" ] }, { "compound_id": "C07593", "inchi": "InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1", "name": "Rotenone", "names": [ "Rotenone" ] }, { "compound_id": "C07594", "inchi": "InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1", "name": "Pyrethrin I", "names": [ "Pyrethrin I" ] }, { "compound_id": "C07596", "inchi": "InChI=1S/C15H15N5O4.2HI/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23;;/h1-9H,10-11H2,(H2-,16,21,22,23);2*1H", "name": "HLo7", "names": [ "HLo7" ] }, { "compound_id": "C07597", "inchi": "InChI=1S/C25H45N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h2-20,26H2,1H3,(H,27,33)(H,28,34);/q-3;+3", "name": "Ferroxamine", "names": [ "Desferal-iron(III)", "Ferrioxamine", "Ferroxamine" ] }, { "compound_id": "C07598", "inchi": "InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)", "name": "Succimer", "names": [ "Succimer", "meso-2,3-Dimercaptosuccinic acid" ] }, { "compound_id": "C07599", "inchi": "InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)", "name": "Alloxanthine", "names": [ "Alloxanthine", "Oxipurinol", "Oxypurinol" ] }, { "compound_id": "C07600", "inchi": "InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2", "name": "Allicin", "names": [ "2-Propene-1-sulfinothioic acid S-2-propenyl ester", "Allicin" ] }, { "compound_id": "C07601", "inchi": "InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17?,18-,19-,20-/m1/s1", "name": "Ginkgolide A", "names": [ "Ginkgolide A" ] }, { "compound_id": "C07602", "inchi": "InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17-,18?,19-,20-/m1/s1", "name": "Ginkgolide B", "names": [ "Ginkgolide B" ] }, { "compound_id": "C07603", "inchi": "InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17-,18?,19-,20-/m1/s1", "name": "Ginkgolide C", "names": [ "BN 52022", "Ginkgolide C" ] }, { "compound_id": "C07604", "inchi": "InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-,15+,17?,18-,19-,20-/m1/s1", "name": "Ginkgolide J", "names": [ "BN 52024", "Ginkgolide J" ] }, { "compound_id": "C07605", "inchi": "InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15-/m0/s1", "name": "Bilobalide", "names": [ "Bilobalide" ] }, { "compound_id": "C07606", "inchi": "InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3", "name": "Hypericin", "names": [ "Hypericin" ] }, { "compound_id": "C07607", "inchi": "InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)", "name": "Gonadotropin-releasing hormone I", "names": [ "GnRH-I", "Gonadoliberin I", "Gonadorelin", "Gonadotropin-releasing hormone I" ] }, { "compound_id": "C07608", "inchi": "InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1", "name": "Hyperforin", "names": [ "Hyperforin" ] }, { "compound_id": "C07609", "inchi": "InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13?,15+/m0/s1", "name": "Parthenolide", "names": [ "Parthenolide" ] }, { "compound_id": "C07610", "inchi": "InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3", "name": "Silymarin", "names": [ "Silibinin", "Silybin", "Silymarin" ] }, { "compound_id": "C07612", "inchi": "InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)", "name": "Leuprolide", "names": [ "Leuprolide", "Leuprorelin" ] }, { "compound_id": "C07613", "inchi": "InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)", "name": "Nafarelin", "names": [ "Nafarelin" ] }, { "compound_id": "C07615", "inchi": "InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3", "name": "Carbimazole", "names": [ "Carbimazole" ] }, { "compound_id": "C07616", "inchi": "InChI=1S/C16H18N2O/c1-11(19)16(2,12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10H,17-18H2,1-2H3", "name": "Amphenone B", "names": [ "Amphenone B" ] }, { "compound_id": "C07617", "inchi": "InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)", "name": "Aminoglutethimide", "names": [ "Aminoglutethimide" ] }, { "compound_id": "C07618", "inchi": "InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1", "name": "Mestranol", "names": [ "Mestranol" ] }, { "compound_id": "C07619", "inchi": "InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1", "name": "Quinestrol", "names": [ "Quinestrol" ] }, { "compound_id": "C07620", "inchi": "InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+", "name": "Diethylstilbestrol", "names": [ "DES", "Diethylstilbestrol" ] }, { "compound_id": "C07621", "inchi": "InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)", "name": "Methallenestril", "names": [ "Methallenestril" ] }, { "compound_id": "C07622", "inchi": "InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1", "name": "Voriconazole", "names": [ "Vfend", "Voriconazole" ] }, { "compound_id": "C07624", "inchi": "InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1", "name": "Abacavir", "names": [ "Abacavir" ] }, { "compound_id": "C07625", "inchi": "InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)", "name": "Chloroquine", "names": [ "Chloroquine" ] }, { "compound_id": "C07626", "inchi": "InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)", "name": "Amodiaquine", "names": [ "Amodiaquine" ] }, { "compound_id": "C07627", "inchi": "InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3", "name": "Primaquine", "names": [ "Primaquine" ] }, { "compound_id": "C07628", "inchi": "InChI=1S/C23H32O2/c1-5-9-23(25)12-8-19-17-13-15(2)20-14-16(24)6-10-21(20,3)18(17)7-11-22(19,23)4/h14-15,17-19,25H,6-8,10-13H2,1-4H3/t15-,17+,18-,19-,21+,22-,23-/m0/s1", "name": "Dimethisterone", "names": [ "Dimethisterone", "Dimethisterone anhydrous" ] }, { "compound_id": "C07629", "inchi": "InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1", "name": "Desogestrel", "names": [ "Desogestrel" ] }, { "compound_id": "C07630", "inchi": "InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)", "name": "Sulfadoxine", "names": [ "Sulfadoxine" ] }, { "compound_id": "C07631", "inchi": "InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)", "name": "Proguanil", "names": [ "Chloroguanide", "N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide", "Proguanil" ] }, { "compound_id": "C07632", "inchi": "InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17?,18-,19-/m0/s1", "name": "Androstanediol", "names": [ "5-androstane-3,17-diol", "Androstane-3,17-diol", "Androstanediol" ] }, { "compound_id": "C07633", "inchi": "InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2", "name": "Mefloquine", "names": [ "Mefloquine" ] }, { "compound_id": "C07634", "inchi": "InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3/t25-/m0/s1", "name": "Halofantrine", "names": [ "Halofantrine" ] }, { "compound_id": "C07635", "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1", "name": "Epiandrosterone", "names": [ "Epiandrosterone" ] }, { "compound_id": "C07636", "inchi": "InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H", "name": "Iodoquinol", "names": [ "Iodoquinol" ] }, { "compound_id": "C07637", "inchi": "InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3", "name": "Diloxanide furoate", "names": [ "Diloxanide furoate" ] }, { "compound_id": "C07638", "inchi": "InChI=1/2C6H10O7.3Na.9H2O.3O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8,10H,1H2,(H,12,13);;;;9*1H2;;;;;/q2*-2;;;;;;;;;;;;;;;;2*+2/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1/f/h2*12H;;;;;;;;;;;;;;;;;", "name": "Sodium stibogluconate", "names": [ "Sodium stibogluconate" ] }, { "compound_id": "C07639", "inchi": "InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1", "name": "3,3',5'-Triiodo-L-thyronine", "names": [ "3,3',5'-Triiodo-L-thyronine", "3,3',5'-Triiodothyronine", "Reverse triiodothyronine", "rT3" ] }, { "compound_id": "C07640", "inchi": "InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)", "name": "Semustine", "names": [ "1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea", "Methyl-CCNU", "Semustine" ] }, { "compound_id": "C07641", "inchi": "InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2", "name": "Thiotepa", "names": [ "Thiotepa" ] }, { "compound_id": "C07642", "inchi": "InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2", "name": "Triethylenemelamine", "names": [ "Triethylenemelamine", "Trisaziridinyltriazine" ] }, { "compound_id": "C07643", "inchi": "InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)", "name": "4-Hydroxycyclophosphamide", "names": [ "4-Hydroxycyclophosphamide" ] }, { "compound_id": "C07644", "inchi": "InChI=1S/C7H13Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h1-6H2,(H,10,12,13)", "name": "4-Ketocyclophosphamide", "names": [ "4-Ketocyclophosphamide" ] }, { "compound_id": "C07645", "inchi": "InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h6H,1-5,7H2,(H2,10,13)", "name": "Aldophosphamide", "names": [ "Aldophosphamide" ] }, { "compound_id": "C07646", "inchi": "InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)", "name": "Carboxyphosphamide", "names": [ "Carboxycyclophosphamide", "Carboxyphosphamide" ] }, { "compound_id": "C07647", "inchi": "InChI=1S/C4H11Cl2N2O2P/c5-1-3-8(4-2-6)11(7,9)10/h1-4H2,(H3,7,9,10)", "name": "Phosphoramide mustard", "names": [ "Phosphamide mustard", "Phosphoramide mustard" ] }, { "compound_id": "C07648", "inchi": "InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)", "name": "Thioguanine", "names": [ "Thioguanine" ] }, { "compound_id": "C07649", "inchi": "InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)", "name": "5-FU", "names": [ "5-FU", "5-Fluorouracil", "Fluorouracil" ] }, { "compound_id": "C07650", "inchi": "InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1", "name": "Gemcitabine", "names": [ "Gemcitabine" ] }, { "compound_id": "C07651", "inchi": "InChI=1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2", "name": "WR 1065", "names": [ "2-[(3-Aminopropyl)amino]ethanethiol", "WR 1065" ] }, { "compound_id": "C07652", "inchi": "InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1", "name": "Mifepristone", "names": [ "Mifepristone", "RU-486" ] }, { "compound_id": "C07653", "inchi": "InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)", "name": "Flutamide", "names": [ "Flutamide" ] }, { "compound_id": "C07654", "inchi": "InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1", "name": "Methacycline", "names": [ "Metacycline", "Methacycline" ] }, { "compound_id": "C07655", "inchi": "InChI=1S/C13H23NO9/c1-6(18)13(21,5-17)8(4-16)23-12-9(14-2)11(20)10(19)7(3-15)22-12/h4-12,14-15,18-21H,3H2,1-2H3/t6-,7-,8-,9-,10-,11-,12-,13+/m0/s1", "name": "Streptobiosamine", "names": [ "Streptobiosamine" ] }, { "compound_id": "C07656", "inchi": "InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1", "name": "Gentamicin C1", "names": [ "Gentamicin C1" ] }, { "compound_id": "C07657", "inchi": "InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1", "name": "Netilmicin", "names": [ "Netilmicin" ] }, { "compound_id": "C07658", "inchi": "InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)", "name": "Sulfadiazine", "names": [ "Sulfadiazine" ] }, { "compound_id": "C07659", "inchi": "InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)", "name": "Sulfathalidine", "names": [ "2-[[[4-[(2-Thiazolylamino)sulfonyl]phenyl]amino]carbonyl]benzoic acid", "Phthalylsulfathiazole", "Sulfathalidine" ] }, { "compound_id": "C07660", "inchi": "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1", "name": "Levofloxacin", "names": [ "Levofloxacin", "Ofloxacin S-(-)-form" ] }, { "compound_id": "C07661", "inchi": "InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)", "name": "Gatifloxacin", "names": [ "AM 1155", "Gatifloxacin" ] }, { "compound_id": "C07662", "inchi": "InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+", "name": "Sparfloxacin", "names": [ "Sparfloxacin", "cis-5-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid" ] }, { "compound_id": "C07663", "inchi": "InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)", "name": "Moxifloxacin", "names": [ "Moxifloxacin" ] }, { "compound_id": "C07664", "inchi": "InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+", "name": "Trovafloxacin", "names": [ "Trovafloxacin" ] }, { "compound_id": "C07665", "inchi": "InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)", "name": "Ethionamide", "names": [ "Ethionamide" ] }, { "compound_id": "C07666", "inchi": "InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2", "name": "Dapsone", "names": [ "4,4'-Sulfonylbisbenzenamine", "Dapsone", "Diaphenylsulfone" ] }, { "compound_id": "C07667", "inchi": "InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3", "name": "Gossypol", "names": [ "Gossypol" ] }, { "compound_id": "C07668", "inchi": "InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)", "name": "Apraclonidine", "names": [ "Apraclonidine" ] }, { "compound_id": "C07669", "inchi": "InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)", "name": "Glimepiride", "names": [ "Glimepiride" ] }, { "compound_id": "C07670", "inchi": "InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1", "name": "Repaglinide", "names": [ "Repaglinide" ] }, { "compound_id": "C07671", "inchi": "InChI=1S/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)", "name": "Histrelin", "names": [ "Histrelin" ] }, { "compound_id": "C07672", "inchi": "InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)", "name": "Biguanide", "names": [ "Biguanide", "Guanylguanidine" ] }, { "compound_id": "C07673", "inchi": "InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)", "name": "Phenformin", "names": [ "DBI", "Phenformin" ] }, { "compound_id": "C07674", "inchi": "InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)", "name": "Buformin", "names": [ "1-Butylbiguanide", "Buformin" ] }, { "compound_id": "C07675", "inchi": "InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)", "name": "Pioglitazone", "names": [ "Pioglitazone" ] }, { "compound_id": "C07677", "inchi": "InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H", "name": "Acebutolol hydrochloride", "names": [ "Acebutolol hydrochloride" ] }, { "compound_id": "C07693", "inchi": "InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2", "name": "Fenoldopam", "names": [ "Fenoldopam" ] }, { "compound_id": "C07695", "inchi": "InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q;;;;;2*-1;2*+1;;", "name": "Sodium nitroprusside dihydrate", "names": [ "Sodium nitroprusside dihydrate" ] }, { "compound_id": "C07699", "inchi": "InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3", "name": "Nisoldipine", "names": [ "Nisoldipine" ] }, { "compound_id": "C07701", "inchi": "InChI=1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m0./s1", "name": "Benazepril hydrochloride", "names": [ "Benazepril hydrochloride" ] }, { "compound_id": "C07704", "inchi": "InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1", "name": "Moexipril", "names": [ "Moexipril" ] }, { "compound_id": "C07706", "inchi": "InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1", "name": "Perindopril", "names": [ "Perindopril" ] }, { "compound_id": "C07707", "inchi": "InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1", "name": "Perindopril erbumine", "names": [ "Perindopril erbumine" ] }, { "compound_id": "C07708", "inchi": "InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1", "name": "Miglitol", "names": [ "Miglitol" ] }, { "compound_id": "C07709", "inchi": "InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)", "name": "Candesartan cilexetil", "names": [ "Candesartan cilexetil" ] }, { "compound_id": "C07710", "inchi": "InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)", "name": "Telmisartan", "names": [ "Telmisartan" ] }, { "compound_id": "C07711", "inchi": "InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1", "name": "Previtamin D(3)", "names": [ "Previtamin D(3)", "Previtamin D3" ] }, { "compound_id": "C07712", "inchi": "InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19?,22-,23?,24?,25+,27+/m0/s1", "name": "Secalciferol", "names": [ "24(R),25-Dihydroxyvitamin D3", "Secalciferol" ] }, { "compound_id": "C07713", "inchi": "InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3", "name": "Nitrendipine", "names": [ "Nitrendipine" ] }, { "compound_id": "C07714", "inchi": "InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1", "name": "Isosorbide mononitrate", "names": [ "Isosorbide mononitrate" ] }, { "compound_id": "C07715", "inchi": "InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2", "name": "Fluorene", "names": [ "2,2'-Methylenebiphenyl", "Diphenylenemethane", "Fluorene" ] }, { "compound_id": "C07717", "inchi": "InChI=1S/C13H10O2/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15/h1-6,14-15H,7H2", "name": "3,4-Dihydroxyfluorene", "names": [ "3,4-Dihydroxyfluorene" ] }, { "compound_id": "C07718", "inchi": "InChI=1S/C13H10O4/c14-11(13(16)17)6-5-10-9-4-2-1-3-8(9)7-12(10)15/h1-6,14H,7H2,(H,16,17)/b10-5-,11-6-", "name": "2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid", "names": [ "2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid" ] }, { "compound_id": "C07719", "inchi": "InChI=1S/C10H8O2/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,6,8H,5H2", "name": "2-Formyl-1-indanone", "names": [ "2-Formyl-1-indanone" ] }, { "compound_id": "C07720", "inchi": "InChI=1S/C9H8O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8,10H,5H2", "name": "3-Hydroxy-1-indanone", "names": [ "3-Hydroxy-1-indanone" ] }, { "compound_id": "C07721", "inchi": "InChI=1S/C13H12O2/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15/h1-6,11,13-15H,7H2/t11-,13-/m0/s1", "name": "(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene", "names": [ "(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene" ] }, { "compound_id": "C07722", "inchi": "InChI=1S/C13H10O3/c14-10-6-5-9-11(13(10)16)7-3-1-2-4-8(7)12(9)15/h1-6,10,13-14,16H", "name": "3,4-Dihydroxy-3,4-dihydro-9-fluorenone", "names": [ "3,4-Dihydroxy-3,4-dihydro-9-fluorenone" ] }, { "compound_id": "C07723", "inchi": "InChI=1S/C13H8O2/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7,14H", "name": "4-Hydroxy-9-fluorenone", "names": [ "4-Hydroxy-9-fluorenone" ] }, { "compound_id": "C07724", "inchi": "InChI=1S/C13H10O2/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-6,14-15H,7H2", "name": "1,2-Dihydroxyfluorene", "names": [ "1,2-Dihydroxyfluorene" ] }, { "compound_id": "C07725", "inchi": "InChI=1S/C13H10O4/c14-11(13(16)17)6-5-9-7-8-3-1-2-4-10(8)12(9)15/h1-6,14H,7H2,(H,16,17)/b9-5+,11-6-", "name": "2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene)but-2-enoic acid", "names": [ "2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene)but-2-enoic acid" ] }, { "compound_id": "C07726", "inchi": "InChI=1S/C10H8O2/c11-6-9-8-4-2-1-3-7(8)5-10(9)12/h1-4,6,9H,5H2", "name": "1-Formyl-2-indanone", "names": [ "1-Formyl-2-indanone" ] }, { "compound_id": "C07727", "inchi": "InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2", "name": "2-Indanone", "names": [ "2-Indanone", "2H-Inden-2-one, 1,3-dihydro-" ] }, { "compound_id": "C07728", "inchi": "InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2", "name": "3-Isochromanone", "names": [ "1,4-Dihydro-3H-2-benzopyran-3-one", "3-Isochromanone" ] }, { "compound_id": "C07729", "inchi": "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H", "name": "Dibenzofuran", "names": [ "Dibenzofuran", "Diphenylene oxide" ] }, { "compound_id": "C07731", "inchi": "InChI=1S/C12H10O5/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,13,15H,(H,16,17)/b6-3-,11-7+", "name": "2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate", "names": [ "2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate" ] }, { "compound_id": "C07732", "inchi": "InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H", "name": "Dibenzo-p-dioxin", "names": [ "Dibenzo-p-dioxin" ] }, { "compound_id": "C07733", "inchi": "InChI=1S/C12H10O4/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15/h1-7,13-15H", "name": "2,2',3-Trihydroxydiphenylether", "names": [ "2,2',3-Trihydroxydiphenylether" ] }, { "compound_id": "C07734", "inchi": "InChI=1S/C12H10O6/c13-8-4-1-2-6-10(8)18-11(15)7-3-5-9(14)12(16)17/h1-7,13-14H,(H,16,17)/b7-3-,9-5+", "name": "2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate", "names": [ "2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate" ] }, { "compound_id": "C07736", "inchi": "InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)", "name": "Etidronic acid", "names": [ "1-Hydroxyethylidene-1,1-diphosphonic acid", "Ethane-1-hydroxy-1,1-bisphosphonate", "Etidronic acid" ] }, { "compound_id": "C07740", "inchi": "InChI=1S/C21H29N3O.H3O4P/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19;1-5(2,3)4/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25);(H3,1,2,3,4)", "name": "Disopyramide phosphate", "names": [ "Disopyramide phosphate" ] }, { "compound_id": "C07743", "inchi": "InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)", "name": "Moricizine", "names": [ "Moricizine" ] }, { "compound_id": "C07750", "inchi": "InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m0/s1", "name": "Tolterodine", "names": [ "Tolterodine" ] }, { "compound_id": "C07751", "inchi": "InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3", "name": "Dofetilide", "names": [ "Dofetilide" ] }, { "compound_id": "C07752", "inchi": "InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)", "name": "Alendronic acid", "names": [ "(4-Amino-1-hydroxybutylidene)bisphosphonic acid", "Alendronate", "Alendronic acid" ] }, { "compound_id": "C07753", "inchi": "InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3", "name": "Ibutilide", "names": [ "Ibutilide" ] }, { "compound_id": "C07755", "inchi": "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2", "name": "Magnesium chloride", "names": [ "Magnesium chloride", "Magnesium chloride anhydrous" ] }, { "compound_id": "C07756", "inchi": "InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1", "name": "7-Aminocephalosporanic acid", "names": [ "(7R)-7-Aminocephalosporanate", "7-ACA", "7-Aminocephalosporanic acid", "7-Aminocephalosporinic acid" ] }, { "compound_id": "C07758", "inchi": "InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)", "name": "Bendroflumethiazide", "names": [ "Bendroflumethiazide" ] }, { "compound_id": "C07759", "inchi": "InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)", "name": "Benzthiazide", "names": [ "Benzthiazide" ] }, { "compound_id": "C07760", "inchi": "InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1", "name": "Brinzolamide", "names": [ "Brinzolamide" ] }, { "compound_id": "C07761", "inchi": "InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1", "name": "Cephalothin", "names": [ "Cefalotin", "Cephalothin" ] }, { "compound_id": "C07763", "inchi": "InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)", "name": "Hydroflumethiazide", "names": [ "Hydroflumethiazide" ] }, { "compound_id": "C07764", "inchi": "InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+", "name": "Methazolamide", "names": [ "Methazolamide" ] }, { "compound_id": "C07765", "inchi": "InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)", "name": "Methyclothiazide", "names": [ "Methyclothiazide" ] }, { "compound_id": "C07766", "inchi": "InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)", "name": "Polythiazide", "names": [ "Polythiazide" ] }, { "compound_id": "C07767", "inchi": "InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)", "name": "Trichlormethiazide", "names": [ "Trichlormethiazide" ] }, { "compound_id": "C07768", "inchi": "InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3", "name": "Azelastine", "names": [ "Azelastine" ] }, { "compound_id": "C07770", "inchi": "InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1", "name": "Sulbactam", "names": [ "Sulbactam" ] }, { "compound_id": "C07771", "inchi": "InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1", "name": "Tazobactam", "names": [ "Tazobactam" ] }, { "compound_id": "C07773", "inchi": "InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2", "name": "Ambenonium", "names": [ "Ambenonium" ] }, { "compound_id": "C07774", "inchi": "InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3", "name": "Azatadine", "names": [ "Azatadine" ] }, { "compound_id": "C07777", "inchi": "InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3", "name": "Buclizine", "names": [ "Buclizine" ] }, { "compound_id": "C07778", "inchi": "InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)", "name": "Cetirizine", "names": [ "Cetirizine" ] }, { "compound_id": "C07780", "inchi": "InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-", "name": "Chlorpheniramine maleate", "names": [ "Chlorpheniramine maleate" ] }, { "compound_id": "C07783", "inchi": "InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1", "name": "Dexchlorpheniramine maleate", "names": [ "Dexchlorpheniramine maleate", "d-Chlorpheniramine maleate" ] }, { "compound_id": "C07784", "inchi": "InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H", "name": "Diphenhydramine hydrochloride", "names": [ "Diphenhydramine hydrochloride" ] }, { "compound_id": "C07785", "inchi": "InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3", "name": "Emedastine", "names": [ "Emedastine" ] }, { "compound_id": "C07789", "inchi": "InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8+", "name": "Olopatadine", "names": [ "Olopatadine" ] }, { "compound_id": "C07790", "inchi": "InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3", "name": "Phenindamine", "names": [ "Phenindamine" ] }, { "compound_id": "C07792", "inchi": "InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3", "name": "Naratriptan", "names": [ "Naratriptan" ] }, { "compound_id": "C07798", "inchi": "InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1", "name": "Dihydroergotamine", "names": [ "Dihydroergotamine" ] }, { "compound_id": "C07805", "inchi": "InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)", "name": "Formoterol", "names": [ "Formoterol" ] }, { "compound_id": "C07807", "inchi": "InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3", "name": "Pirbuterol", "names": [ "Pirbuterol" ] }, { "compound_id": "C07809", "inchi": "InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3", "name": "Flavoxate", "names": [ "Flavoxate" ] }, { "compound_id": "C07811", "inchi": "InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1", "name": "Hexocyclium", "names": [ "Hexocyclium" ] }, { "compound_id": "C07813", "inchi": "InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1", "name": "Beclomethasone dipropionate", "names": [ "Beclometasone dipropionate", "Beclomethasone dipropionate" ] }, { "compound_id": "C07814", "inchi": "InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?", "name": "Homatropine", "names": [ "Homatropine" ] }, { "compound_id": "C07815", "inchi": "InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1", "name": "Fluticasone", "names": [ "Fluticasone" ] }, { "compound_id": "C07816", "inchi": "InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1", "name": "Mometasone", "names": [ "Mometasone" ] }, { "compound_id": "C07817", "inchi": "InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1", "name": "Mometasone furoate", "names": [ "Mometasone furoate" ] }, { "compound_id": "C07818", "inchi": "InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1", "name": "Mepenzolate", "names": [ "Mepenzolate" ] }, { "compound_id": "C07819", "inchi": "InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3", "name": "Dyphylline", "names": [ "Diprophylline", "Dyphylline" ] }, { "compound_id": "C07825", "inchi": "InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3", "name": "Flumazenil", "names": [ "Flumazenil" ] }, { "compound_id": "C07826", "inchi": "InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)", "name": "Aprobarbital", "names": [ "Aprobarbital" ] }, { "compound_id": "C07827", "inchi": "InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)", "name": "Butabarbital", "names": [ "Butabarbital" ] }, { "compound_id": "C07829", "inchi": "InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)", "name": "Mephobarbital", "names": [ "Mephobarbital" ] }, { "compound_id": "C07832", "inchi": "InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)", "name": "Ethinamate", "names": [ "Ethinamate" ] }, { "compound_id": "C07833", "inchi": "InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+", "name": "Ethchlorvynol", "names": [ "Ethchlorvynol" ] }, { "compound_id": "C07834", "inchi": "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3", "name": "Paraldehyde", "names": [ "Paraldehyde" ] }, { "compound_id": "C07836", "inchi": "InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7?/m1/s1", "name": "D-glycero-D-manno-Heptose 7-phosphate", "names": [ "D-glycero-D-manno-Heptose 7-phosphate" ] }, { "compound_id": "C07837", "inchi": "InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)", "name": "Fomepizole", "names": [ "4-Methylpyrazole", "Fomepizole" ] }, { "compound_id": "C07838", "inchi": "InChI=1S/C7H15O10P/c8-1-2(9)6-4(11)3(10)5(12)7(16-6)17-18(13,14)15/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1", "name": "D-glycero-D-manno-Heptose 1-phosphate", "names": [ "D-glycero-D-manno-Heptose 1-phosphate" ] }, { "compound_id": "C07839", "inchi": "InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)", "name": "Ethotoin", "names": [ "Ethotoin" ] }, { "compound_id": "C07840", "inchi": "InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)", "name": "Fosphenytoin", "names": [ "Fosphenytoin" ] }, { "compound_id": "C07841", "inchi": "InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1", "name": "Levetiracetam", "names": [ "Levetiracetam" ] }, { "compound_id": "C07843", "inchi": "InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H", "name": "Ketamine hydrochloride", "names": [ "Ketamine hydrochloride" ] }, { "compound_id": "C07844", "inchi": "InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)", "name": "Methohexital", "names": [ "Methohexital" ] }, { "compound_id": "C07846", "inchi": "InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)", "name": "Thiamylal", "names": [ "5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid", "Thiamylal" ] }, { "compound_id": "C07849", "inchi": "InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1", "name": "Methantheline", "names": [ "Methantheline" ] }, { "compound_id": "C07851", "inchi": "InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3", "name": "Oxyphencyclimine", "names": [ "Oxyphencyclimine" ] }, { "compound_id": "C07852", "inchi": "InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3", "name": "Propiverine", "names": [ "Propiverine" ] }, { "compound_id": "C07853", "inchi": "InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1", "name": "Clidinium", "names": [ "Clidinium" ] }, { "compound_id": "C07861", "inchi": "InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1", "name": "Tridihexethyl", "names": [ "Tridihexethyl" ] }, { "compound_id": "C07862", "inchi": "InChI=1S/C21H36NO.HI/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1", "name": "Tridihexethyl iodide", "names": [ "Tridihexethyl iodide" ] }, { "compound_id": "C07864", "inchi": "InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)", "name": "Rabeprazole", "names": [ "Rabeprazole" ] }, { "compound_id": "C07865", "inchi": "InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1", "name": "Rabeprazole sodium", "names": [ "Rabeprazole sodium" ] }, { "compound_id": "C07866", "inchi": "InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2", "name": "Dolasetron", "names": [ "Dolasetron" ] }, { "compound_id": "C07868", "inchi": "InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)", "name": "Metoclopramide", "names": [ "Metoclopramide" ] }, { "compound_id": "C07870", "inchi": "InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3", "name": "Bismuth subsalicylate", "names": [ "Bismuth subsalicylate" ] }, { "compound_id": "C07871", "inchi": "InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)", "name": "Difenoxin", "names": [ "Difenoxin" ] }, { "compound_id": "C07872", "inchi": "InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3", "name": "Diphenoxylate", "names": [ "Diphenoxylate" ] }, { "compound_id": "C07874", "inchi": "InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)", "name": "1,4-Bis(2-ethylhexyl) sulfosuccinate", "names": [ "1,4-Bis(2-ethylhexyl) sulfosuccinate", "Docusate hydrogen" ] }, { "compound_id": "C07875", "inchi": "InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3", "name": "Butamben", "names": [ "Butamben" ] }, { "compound_id": "C07876", "inchi": "InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2", "name": "Magnesium hydroxide", "names": [ "Magnesium hydroxide", "Milk of magnesia" ] }, { "compound_id": "C07877", "inchi": "InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3", "name": "Chloroprocaine", "names": [ "Chloroprocaine" ] }, { "compound_id": "C07879", "inchi": "InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)", "name": "Dibucaine", "names": [ "Dibucaine" ] }, { "compound_id": "C07880", "inchi": "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1", "name": "Ursodiol", "names": [ "3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid", "Ursodeoxycholate", "Ursodeoxycholic acid", "Ursodiol" ] }, { "compound_id": "C07881", "inchi": "InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3", "name": "Dyclonine", "names": [ "Dyclonine" ] }, { "compound_id": "C07884", "inchi": "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1", "name": "Dextroamphetamine", "names": [ "Dextroamphetamine" ] }, { "compound_id": "C07886", "inchi": "InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)", "name": "Brimonidine", "names": [ "Brimonidine" ] }, { "compound_id": "C07887", "inchi": "InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1", "name": "L-(-)-1-Butyl-2',6'-pipecoloxylidide", "names": [ "L-(-)-1-Butyl-2',6'-pipecoloxylidide", "Levobupivacaine" ] }, { "compound_id": "C07888", "inchi": "InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)", "name": "Cyclophosphamide", "names": [ "Cyclophosphamide" ] }, { "compound_id": "C07889", "inchi": "InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3", "name": "Mephentermine", "names": [ "Mephentermine" ] }, { "compound_id": "C07890", "inchi": "InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)", "name": "Midodrine", "names": [ "Midodrine" ] }, { "compound_id": "C07892", "inchi": "InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3", "name": "Pramoxine", "names": [ "Pramocaine", "Pramoxine" ] }, { "compound_id": "C07894", "inchi": "InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H", "name": "Procaine hydrochloride", "names": [ "Procaine hydrochloride" ] }, { "compound_id": "C07895", "inchi": "InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3", "name": "Propoxycaine", "names": [ "Propoxycaine" ] }, { "compound_id": "C07897", "inchi": null, "name": "Etanercept", "names": [ "Etanercept" ] }, { "compound_id": "C07898", "inchi": "InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H", "name": "Naphazoline hydrochloride", "names": [ "Naphazoline hydrochloride" ] }, { "compound_id": "C07899", "inchi": "InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)", "name": "Pemoline", "names": [ "Pemoline" ] }, { "compound_id": "C07903", "inchi": null, "name": "Interleukin-2", "names": [ "Aldesleukin", "Interleukin-2" ] }, { "compound_id": "C07904", "inchi": "InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1", "name": "Phendimetrazine", "names": [ "Phendimetrazine" ] }, { "compound_id": "C07905", "inchi": "InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)", "name": "Leflunomide", "names": [ "Leflunomide" ] }, { "compound_id": "C07906", "inchi": "InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1", "name": "Levamisole hydrochloride", "names": [ "Levamisole hydrochloride" ] }, { "compound_id": "C07908", "inchi": "InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+", "name": "Mycophenolate mofetil", "names": [ "Mycophenolate mofetil", "RS 61443" ] }, { "compound_id": "C07909", "inchi": "InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1", "name": "Sirolimus", "names": [ "Rapamycin", "Sirolimus" ] }, { "compound_id": "C07910", "inchi": "InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)", "name": "Thalidomide", "names": [ "Thalidomide" ] }, { "compound_id": "C07911", "inchi": "InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/s1", "name": "Phenylpropanolamine", "names": [ "(+-)-Phenylpropanolamine", "(R*,S*)-(+-)-alpha-(1-Aminoethyl)benzenemethanol", "Phenylpropanolamine" ] }, { "compound_id": "C07912", "inchi": "InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)", "name": "Tetrahydrozoline", "names": [ "2-Tetralin-1-yl-4,5-dihydro-1H-imidazole", "Tetrahydrozoline", "Tetryzoline" ] }, { "compound_id": "C07913", "inchi": "InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)", "name": "Xylometazoline", "names": [ "Xylometazoline" ] }, { "compound_id": "C07914", "inchi": "InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1", "name": "Levobunolol", "names": [ "(-)-Bunolol", "Levobunolol" ] }, { "compound_id": "C07915", "inchi": "InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3", "name": "Metipranolol", "names": [ "Metipranolol" ] }, { "compound_id": "C07919", "inchi": "InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1", "name": "Metocurine", "names": [ "Metocurine" ] }, { "compound_id": "C07921", "inchi": "InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1", "name": "Metyrosine", "names": [ "Metirosine", "Metyrosine" ] }, { "compound_id": "C07927", "inchi": "InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)", "name": "Carisoprodol", "names": [ "Carisoprodol" ] }, { "compound_id": "C07928", "inchi": "InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2", "name": "Chlorphenesin", "names": [ "Chlorphenesin" ] }, { "compound_id": "C07930", "inchi": "InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)", "name": "Chlorphenesin carbamate", "names": [ "Chlorphenesin carbamate" ] }, { "compound_id": "C07931", "inchi": "InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)", "name": "Chlorzoxazone", "names": [ "Chlorzoxazone" ] }, { "compound_id": "C07933", "inchi": "InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+;", "name": "Dantrolene sodium anhydrous", "names": [ "Dantrolene sodium anhydrous" ] }, { "compound_id": "C07934", "inchi": "InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)", "name": "Metaxalone", "names": [ "Metaxalone" ] }, { "compound_id": "C07935", "inchi": "InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3", "name": "Orphenadrine", "names": [ "Orphenadrine" ] }, { "compound_id": "C07937", "inchi": "InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)", "name": "Riluzole", "names": [ "Riluzole" ] }, { "compound_id": "C07939", "inchi": "InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H", "name": "Amantadine hydrochloride", "names": [ "Amantadine hydrochloride" ] }, { "compound_id": "C07941", "inchi": "InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2", "name": "Biperiden", "names": [ "Biperiden" ] }, { "compound_id": "C07943", "inchi": "InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+", "name": "Entacapone", "names": [ "Entacapone" ] }, { "compound_id": "C07946", "inchi": null, "name": "Botulinum toxin type A", "names": [ "Botulin A", "Botulinum toxin type A" ] }, { "compound_id": "C07949", "inchi": "InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3", "name": "Tolcapone", "names": [ "Tolcapone" ] }, { "compound_id": "C07952", "inchi": "InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H", "name": "Chlorpromazine hydrochloride", "names": [ "Chloropromazine monohydrochloride", "Chlorpromazine hydrochloride" ] }, { "compound_id": "C07953", "inchi": "InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-", "name": "Chlorprothixene", "names": [ "Chlorprothixene" ] }, { "compound_id": "C07955", "inchi": "InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3", "name": "Fluphenazine enanthate", "names": [ "Fluphenazine enanthate", "Prolixin enanthate" ] }, { "compound_id": "C07956", "inchi": "InChI=1/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3", "name": "Fluphenazine depot", "names": [ "Fluphenazine depot" ] }, { "compound_id": "C07964", "inchi": "InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2", "name": "Lithium carbonate", "names": [ "Lithium carbonate" ] }, { "compound_id": "C07965", "inchi": "InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1", "name": "Tirofiban", "names": [ "Tirofiban" ] }, { "compound_id": "C07966", "inchi": "InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1", "name": "Cerivastatin", "names": [ "Cerivastatin" ] }, { "compound_id": "C07967", "inchi": "InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H", "name": "Bithionol", "names": [ "Bithionol" ] }, { "compound_id": "C07968", "inchi": "InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3", "name": "Diethylcarbamazine", "names": [ "Diethylcarbamazine", "N,N-Diethyl-4-methyl-1-piperazinecarboxamide" ] }, { "compound_id": "C07970", "inchi": "InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1", "name": "Ivermectin", "names": [ "Ivermectin" ] }, { "compound_id": "C07971", "inchi": "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3", "name": "Metrifonate", "names": [ "Metrifonate", "Trichlorfon" ] }, { "compound_id": "C07973", "inchi": "InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2", "name": "Piperazine", "names": [ "Diethylenediamine", "Piperazine" ] }, { "compound_id": "C07974", "inchi": "InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)", "name": "Suramin", "names": [ "Suramin" ] }, { "compound_id": "C07982", "inchi": "InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H", "name": "Imipramine hydrochloride", "names": [ "Imipramine hydrochloride" ] }, { "compound_id": "C07995", "inchi": "InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2", "name": "Magnesium salicylate", "names": [ "Magnesium salicylate", "Magnesium salicylate anhydrous" ] }, { "compound_id": "C07996", "inchi": "InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3/t24-,25+/m1/s1", "name": "Dehydroemetine", "names": [ "Dehydroemetine" ] }, { "compound_id": "C07997", "inchi": "InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)", "name": "Eflornithine", "names": [ "DL-Ornithine, 2-(difluoromethyl)-", "Eflornithine" ] }, { "compound_id": "C07999", "inchi": "InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+", "name": "Furazolidone", "names": [ "Furazolidone" ] }, { "compound_id": "C08001", "inchi": "InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)", "name": "Melarsoprol", "names": [ "Melarsoprol" ] }, { "compound_id": "C08002", "inchi": "InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+", "name": "Nifurtimox", "names": [ "Nifurtimox" ] }, { "compound_id": "C08005", "inchi": "InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3", "name": "Alfentanil", "names": [ "Alfentanil" ] }, { "compound_id": "C08007", "inchi": "InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1", "name": "Buprenorphine", "names": [ "Buprenorphine" ] }, { "compound_id": "C08010", "inchi": "InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15+,16+/m0/s1", "name": "Dezocine", "names": [ "Dezocine" ] }, { "compound_id": "C08012", "inchi": "InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1", "name": "Levomethadyl acetate", "names": [ "LAAM", "Levomethadyl acetate" ] }, { "compound_id": "C08014", "inchi": "InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1", "name": "Levorphanol", "names": [ "Levorphanol" ] }, { "compound_id": "C08018", "inchi": "InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1", "name": "Oxycodone", "names": [ "Oxycodone" ] }, { "compound_id": "C08019", "inchi": "InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1", "name": "Oxymorphone", "names": [ "Oxymorphone" ] }, { "compound_id": "C08021", "inchi": "InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3", "name": "Remifentanil", "names": [ "Remifentanil" ] }, { "compound_id": "C08022", "inchi": "InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3", "name": "Sufentanil", "names": [ "Sufentanil" ] }, { "compound_id": "C08024", "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1", "name": "Hydrocodone", "names": [ "Dihydrocodeinone", "Hydrocodone" ] }, { "compound_id": "C08026", "inchi": "InChI=1S/C18H21NO4.ClH/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;/h3-4,13,16,21H,5-9H2,1-2H3;1H/t13-,16+,17+,18-;/m1./s1", "name": "Oxycodone hydrochloride", "names": [ "Oxycodone hydrochloride" ] }, { "compound_id": "C08027", "inchi": "InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1", "name": "Nalmefene", "names": [ "Nalmefene" ] }, { "compound_id": "C08029", "inchi": "InChI=1S/C22H22N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1", "name": "Methacycline hydrochloride", "names": [ "Methacycline hydrochloride" ] }, { "compound_id": "C08031", "inchi": "InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29?,31?,32-,33-,34+,35?,37?,38-,39-,40-;/m1./s1", "name": "Erythromycin estolate", "names": [ "Erythromycin estolate", "Erythromycin estorate" ] }, { "compound_id": "C08032", "inchi": "InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35?,37-,38+,39?,40+,43-,44+,45+/m1/s1", "name": "Quinupristin", "names": [ "Quinupristin" ] }, { "compound_id": "C08033", "inchi": "InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24?,25-,28-,31-,32-/m1/s1", "name": "Dalfopristin", "names": [ "Dalfopristin" ] }, { "compound_id": "C08034", "inchi": "InChI=1S/C53H67N9O10S.C34H50N4O9S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46;1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65);9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b;10-9+,12-11+,23-18+/t31-,35?,37-,38+,39?,40+,43-,44+,45+;24?,25-,28-,31-,32-/m11/s1", "name": "Quinupristin-dalfopristin", "names": [ "Quinupristin-dalfopristin" ] }, { "compound_id": "C08037", "inchi": null, "name": "Benzalkonium chloride", "names": [ "Benzalkonium chloride", "Parasterol" ] }, { "compound_id": "C08038", "inchi": "InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1", "name": "Chlorhexidine gluconate", "names": [ "Chlorhexidine gluconate", "Hibitane gluconate" ] }, { "compound_id": "C08039", "inchi": "InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2", "name": "Hexachlorophene", "names": [ "Hexachlorophene" ] }, { "compound_id": "C08040", "inchi": "InChI=1S/I3.K/c1-3-2;/q-1;+1", "name": "Iodine aqueous", "names": [ "Iodine aqueous", "Iodine-potassium iodide complex", "Potassium triiodide" ] }, { "compound_id": "C08042", "inchi": "InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+", "name": "Nitrofurazone", "names": [ "5-Nitro-2-furaldehyde semicarbazone", "Nitrofurazone" ] }, { "compound_id": "C08043", "inchi": null, "name": "Povidone-iodine", "names": [ "Polyvinylpyrrolidone-iodine complex", "Povidone-iodine" ] }, { "compound_id": "C08046", "inchi": "InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1", "name": "Kanamycin sulfate", "names": [ "Kanamycin monosulfate", "Kanamycin sulfate" ] }, { "compound_id": "C08050", "inchi": "InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)", "name": "Sulfamethizole", "names": [ "Sulfamethizole" ] }, { "compound_id": "C08051", "inchi": "InChI=1S/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1", "name": "Sulfacetamide sodium anhydrous", "names": [ "Sulfacetamide sodium anhydrous" ] }, { "compound_id": "C08052", "inchi": "InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)", "name": "Cinoxacin", "names": [ "Cinoxacin" ] }, { "compound_id": "C08053", "inchi": "InChI=1S/C17H19F2N3O3.ClH/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1H", "name": "Lomefloxacin hydrochloride", "names": [ "Lomefloxacin hydrochloride" ] }, { "compound_id": "C08054", "inchi": "InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H", "name": "Moxifloxacin hydrochloride", "names": [ "Moxifloxacin hydrochloride" ] }, { "compound_id": "C08055", "inchi": "InChI=1S/C7H7NO3.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1", "name": "Aminosalicylate sodium anhydrous", "names": [ "Aminosalicylate sodium anhydrous", "Sodium p-aminosalicylate" ] }, { "compound_id": "C08057", "inchi": "InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1", "name": "Cycloserine", "names": [ "Cycloserine", "D-Cycloserine" ] }, { "compound_id": "C08059", "inchi": "InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1", "name": "Rifapentine", "names": [ "Rifapentine" ] }, { "compound_id": "C08060", "inchi": "InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H", "name": "Carbazole", "names": [ "9H-Carbazole", "Carbazole" ] }, { "compound_id": "C08061", "inchi": "InChI=1S/C12H11NO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H,13H2", "name": "2'-Aminobiphenyl-2,3-diol", "names": [ "2'-Aminobiphenyl-2,3-diol" ] }, { "compound_id": "C08062", "inchi": "InChI=1S/C12H11NO4/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,15H,13H2,(H,16,17)/b6-3-,11-7+", "name": "2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate", "names": [ "2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate" ] }, { "compound_id": "C08063", "inchi": "InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2", "name": "1,4-Cyclohexanedione", "names": [ "1,4-Cyclohexanedione" ] }, { "compound_id": "C08064", "inchi": "InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1", "name": "Saponarin", "names": [ "Isovitexin-7-O-beta-D-glucopyranoside", "Saponarin" ] }, { "compound_id": "C08065", "inchi": "InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2", "name": "Butoconazole", "names": [ "Butoconazole" ] }, { "compound_id": "C08066", "inchi": "InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)", "name": "Butoconazole nitrate", "names": [ "Butoconazole nitrate" ] }, { "compound_id": "C08067", "inchi": "InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3", "name": "Butenafine", "names": [ "Butenafine" ] }, { "compound_id": "C08068", "inchi": "InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2", "name": "Econazole", "names": [ "Econazole" ] }, { "compound_id": "C08069", "inchi": "InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)", "name": "Econazole nitrate", "names": [ "Econazole nitrate" ] }, { "compound_id": "C08070", "inchi": "InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)", "name": "Miconazole nitrate", "names": [ "Miconazole nitrate" ] }, { "compound_id": "C08071", "inchi": "InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+", "name": "Naftifine", "names": [ "Naftifine" ] }, { "compound_id": "C08072", "inchi": "InChI=1S/C21H21N.ClH/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20;/h2-15H,16-17H2,1H3;1H/b11-8+;", "name": "Naftifine hydrochloride", "names": [ "Naftifine hydrochloride" ] }, { "compound_id": "C08073", "inchi": "InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24?,25+,27-,28+,29-,30+,32-,33-/m1/s1", "name": "Natamycin", "names": [ "Natamycin", "Pimaricin" ] }, { "compound_id": "C08074", "inchi": "InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+", "name": "Oxiconazole", "names": [ "Oxiconazole" ] }, { "compound_id": "C08075", "inchi": "InChI=1S/C18H13Cl4N3O.HNO3/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11H,9-10H2;(H,2,3,4)/b24-18+;", "name": "Oxiconazole nitrate", "names": [ "Oxiconazole nitrate" ] }, { "compound_id": "C08076", "inchi": "InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2", "name": "Sulconazole", "names": [ "Sulconazole" ] }, { "compound_id": "C08079", "inchi": "InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+", "name": "Terbinafine", "names": [ "Terbinafine" ] }, { "compound_id": "C08080", "inchi": "InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1", "name": "Terconazole", "names": [ "Terconazole" ] }, { "compound_id": "C08082", "inchi": "InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2", "name": "Tioconazole", "names": [ "Tioconazole" ] }, { "compound_id": "C08086", "inchi": "InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1", "name": "Amprenavir", "names": [ "Amprenavir" ] }, { "compound_id": "C08087", "inchi": "InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)", "name": "Delavirdine mesylate", "names": [ "Delavirdine mesilate", "Delavirdine mesylate" ] }, { "compound_id": "C08088", "inchi": "InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1", "name": "Efavirenz", "names": [ "Efavirenz" ] }, { "compound_id": "C08089", "inchi": "InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1", "name": "Indinavir sulfate", "names": [ "Indinavir sulfate" ] }, { "compound_id": "C08090", "inchi": "InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+", "name": "Dienestrol", "names": [ "Dehydrostilbestrol", "Dienestrol" ] }, { "compound_id": "C08091", "inchi": "InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1", "name": "Nelfinavir mesylate", "names": [ "Nelfinavir mesilate", "Nelfinavir mesylate" ] }, { "compound_id": "C08092", "inchi": "InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1", "name": "Oseltamivir", "names": [ "Oseltamivir" ] }, { "compound_id": "C08093", "inchi": "InChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1", "name": "Oseltamivir phosphate", "names": [ "Oseltamivir phosphate" ] }, { "compound_id": "C08094", "inchi": "InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H", "name": "Rimantadine hydrochloride", "names": [ "Rimantadine hydrochloride" ] }, { "compound_id": "C08095", "inchi": "InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1", "name": "Zanamivir", "names": [ "Zanamivir" ] }, { "compound_id": "C08098", "inchi": "InChI=1/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1/t9-,12-;/m1./s1/fC14H13N8O4S3.Na/h16H;/q-1;m", "name": "Cefazolin sodium", "names": [ "Cefazolin sodium" ] }, { "compound_id": "C08099", "inchi": "InChI=1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1", "name": "Cephalexin monohydrate", "names": [ "Cephalexin", "Cephalexin monohydrate" ] }, { "compound_id": "C08100", "inchi": "InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1", "name": "Cephalothin sodium", "names": [ "Cefalotin sodium", "Cephalothin sodium" ] }, { "compound_id": "C08101", "inchi": "InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1", "name": "Cephapirin sodium", "names": [ "Cefapirin sodium", "Cephapirin sodium", "Sodium cefapirin" ] }, { "compound_id": "C08102", "inchi": "InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14-,17-;/m1./s1", "name": "Cefamandole nafate", "names": [ "Cefamandole nafate" ] }, { "compound_id": "C08103", "inchi": "InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1", "name": "Cefmetazole", "names": [ "Cefmetazole" ] }, { "compound_id": "C08104", "inchi": "InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1", "name": "Cefmetazole sodium", "names": [ "Cefmetazole sodium" ] }, { "compound_id": "C08105", "inchi": "InChI=1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t11-,13-,16-;;/m1../s1", "name": "Cefonicid sodium", "names": [ "Cefonicid sodium" ] }, { "compound_id": "C08106", "inchi": "InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1", "name": "Cefoxitin sodium", "names": [ "Cefoxitin sodium" ] }, { "compound_id": "C08107", "inchi": "InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10?,14-,18-/m1/s1", "name": "Cefuroxime axetil", "names": [ "Cefuroxime 1-acetoxyethyl ester", "Cefuroxime axetil" ] }, { "compound_id": "C08108", "inchi": "InChI=1S/C16H16N4O8S.Na/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20;/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24);/q;+1/p-1/b19-9-;/t10-,14-;/m1./s1", "name": "Cefuroxime sodium", "names": [ "Cefuroxime sodium" ] }, { "compound_id": "C08109", "inchi": "InChI=1S/C16H16ClN3O4.H2O/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8;/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24);1H2/t10?,11-,12?;/m1./s1", "name": "Loracarbef monohydrate", "names": [ "Loracarbef monohydrate" ] }, { "compound_id": "C08110", "inchi": "InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1", "name": "Cefdinir", "names": [ "Cefdinir" ] }, { "compound_id": "C08111", "inchi": "InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1", "name": "Cefepime", "names": [ "Cefepime" ] }, { "compound_id": "C08112", "inchi": "InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1", "name": "Cefoperazone sodium", "names": [ "Cefoperazone sodium" ] }, { "compound_id": "C08113", "inchi": "InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1", "name": "Cefotaxime sodium", "names": [ "Cefotaxime sodium" ] }, { "compound_id": "C08114", "inchi": "InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1", "name": "Cefpodoxime", "names": [ "Cefpodoxime" ] }, { "compound_id": "C08115", "inchi": "InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1", "name": "Cefpodoxime proxetil", "names": [ "Cefpodoxime proxetil" ] }, { "compound_id": "C08117", "inchi": "InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1", "name": "Ceftibuten", "names": [ "Ceftibuten" ] }, { "compound_id": "C08118", "inchi": "InChI=1S/C13H13N5O5S2.Na/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18;/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22);/q;+1/p-1/b17-7-;/t8-,11-;/m1./s1", "name": "Ceftizoxime sodium", "names": [ "Ceftizoxime sodium" ] }, { "compound_id": "C08122", "inchi": "InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1", "name": "Bacampicillin", "names": [ "Bacampicillin" ] }, { "compound_id": "C08123", "inchi": "InChI=1S/C21H27N3O7S.ClH/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12;/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25);1H/t11?,13-,14-,15+,18-;/m1./s1", "name": "Bacampicillin hydrochloride", "names": [ "Bacampicillin hydrochloride" ] }, { "compound_id": "C08124", "inchi": "InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1", "name": "Nafcillin sodium", "names": [ "Nafcillin sodium" ] }, { "compound_id": "C08126", "inchi": "InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1", "name": "Penicillin V", "names": [ "Penicillin V", "phenoxymethylpenicillin", "phenoxymethylpenicillin-" ] }, { "compound_id": "C08127", "inchi": "InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1", "name": "Paricalcitol", "names": [ "19-Nor-1alpha,25-dihydroxyvitamin D2", "Paricalcitol" ] }, { "compound_id": "C08129", "inchi": "InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2", "name": "Calcium carbonate", "names": [ "Calcium carbonate", "Precipitated calcium carbonate" ] }, { "compound_id": "C08130", "inchi": "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2", "name": "Calcium chloride anhydrous", "names": [ "Calcium chloride anhydrous" ] }, { "compound_id": "C08133", "inchi": "InChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1", "name": "Calcium gluconate", "names": [ "Calcium gluconate" ] }, { "compound_id": "C08136", "inchi": "InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6", "name": "Tricalcium phosphate", "names": [ "Calcium phosphate tribasic", "Synthos", "Tricalcium phosphate" ] }, { "compound_id": "C08141", "inchi": "InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)", "name": "Tiludronic acid", "names": [ "Tiludronate", "Tiludronic acid" ] }, { "compound_id": "C08142", "inchi": "InChI=1S/FH.Na/h1H;/q;+1/p-1", "name": "Sodium fluoride", "names": [ "Sodium fluoride" ] }, { "compound_id": "C08145", "inchi": "InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+", "name": "Diethylstilbestrol diphosphate", "names": [ "Diethylstilbestrol bisphosphate", "Diethylstilbestrol diphosphate", "Fosfestrol" ] }, { "compound_id": "C08146", "inchi": "InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1", "name": "Linezolid", "names": [ "Linezolid" ] }, { "compound_id": "C08148", "inchi": "InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1", "name": "Hydroxyprogesterone caproate", "names": [ "17alpha-Caproyloxypregn-4-ene-3,20-dione", "Hydroxyprogesterone caproate", "Primolut depot" ] }, { "compound_id": "C08149", "inchi": "InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1", "name": "Levonorgestrel", "names": [ "D-Norgestrel", "Levonorgestrel" ] }, { "compound_id": "C08150", "inchi": "InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1", "name": "Medroxyprogesterone acetate", "names": [ "6-alpha-Methyl-17-alpha-acetoxyprogesterone", "6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate", "Medroxyprogesterone acetate" ] }, { "compound_id": "C08151", "inchi": "InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1", "name": "Megestrol acetate", "names": [ "Megestrol acetate" ] }, { "compound_id": "C08152", "inchi": "InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1", "name": "Norethindrone acetate", "names": [ "Norethindrone acetate", "Norethisterone acetate" ] }, { "compound_id": "C08153", "inchi": "InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1", "name": "Norgestrel", "names": [ "DL-Norgestrel", "Norgestrel" ] }, { "compound_id": "C08154", "inchi": "InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1", "name": "Nandrolone decanoate", "names": [ "Nandrolone decanoate" ] }, { "compound_id": "C08155", "inchi": "InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1", "name": "Nandrolone phenpropionate", "names": [ "Nandrolone phenpropionate", "Nandrolone phenylpropionate" ] }, { "compound_id": "C08156", "inchi": "InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1", "name": "Testosterone cypionate", "names": [ "Testosterone cypionate" ] }, { "compound_id": "C08157", "inchi": "InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1", "name": "Testosterone enanthate", "names": [ "Testosterone enanthate" ] }, { "compound_id": "C08158", "inchi": "InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1", "name": "Testosterone propionate", "names": [ "Testosterone propionate" ] }, { "compound_id": "C08159", "inchi": "InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3", "name": "Anastrozole", "names": [ "Anastrozole" ] }, { "compound_id": "C08160", "inchi": "InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1", "name": "Bicalutamide", "names": [ "Bicalutamide" ] }, { "compound_id": "C08161", "inchi": "InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;", "name": "Clomiphene citrate", "names": [ "Clomifene citrate", "Clomiphene citrate" ] }, { "compound_id": "C08162", "inchi": "InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1", "name": "Exemestane", "names": [ "Exemestane" ] }, { "compound_id": "C08163", "inchi": "InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H", "name": "Letrozole", "names": [ "Letrozole" ] }, { "compound_id": "C08164", "inchi": "InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)", "name": "Nilutamide", "names": [ "Nilutamide" ] }, { "compound_id": "C08166", "inchi": "InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-", "name": "Toremifene", "names": [ "Toremifene" ] }, { "compound_id": "C08169", "inchi": "InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)", "name": "Meloxicam", "names": [ "Meloxicam" ] }, { "compound_id": "C08171", "inchi": "InChI=1S/C7H6O2S.Na/c8-7(9)5-3-1-2-4-6(5)10;/h1-4,10H,(H,8,9);/q;+1/p-1", "name": "Sodium thiosalicylate", "names": [ "2-Mercapto-benzoic acid, monosodium salt", "Sodium thiosalicylate" ] }, { "compound_id": "C08173", "inchi": "InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1", "name": "Cortisone acetate", "names": [ "Cortisone acetate", "Cortisyl" ] }, { "compound_id": "C08174", "inchi": "InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1", "name": "Dexamethasone acetate anhydrous", "names": [ "Dexamethasone acetate anhydrous" ] }, { "compound_id": "C08175", "inchi": "InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1", "name": "Dexamethasone sodium phosphate", "names": [ "Dexamethasone sodium phosphate" ] }, { "compound_id": "C08176", "inchi": "InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1", "name": "Hydrocortisone cypionate", "names": [ "Hydrocortisone cypionate" ] }, { "compound_id": "C08178", "inchi": "InChI=1S/C25H34O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30);/q;+1/p-1/t16-,17-,18-,22+,23-,24-,25-;/m0./s1", "name": "Hydrocortisone sodium succinate", "names": [ "Hydrocortisone sodium succinate" ] }, { "compound_id": "C08179", "inchi": "InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1", "name": "Methylprednisolone acetate", "names": [ "11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate", "6alpha-Methylprednisolone 21-acetate", "M-Predrol", "Methylprednisolone acetate" ] }, { "compound_id": "C08180", "inchi": "InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1", "name": "Prednisolone acetate", "names": [ "Prednisolone 21-acetate", "Prednisolone acetate", "Pricortin" ] }, { "compound_id": "C08182", "inchi": "InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1", "name": "Prednisolone tebutate", "names": [ "Prednisolone butyl acetete", "Prednisolone tebutate" ] }, { "compound_id": "C08183", "inchi": "InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1", "name": "Triamcinolone acetonide", "names": [ "Triamcinolone acetonide" ] }, { "compound_id": "C08184", "inchi": "InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1", "name": "Triamcinolone diacetate", "names": [ "Triamcinolone diacetate" ] }, { "compound_id": "C08185", "inchi": "InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1", "name": "Triamcinolone hexacetonide", "names": [ "Triamcinolone hexacetonide" ] }, { "compound_id": "C08186", "inchi": "InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1", "name": "Fludrocortisone acetate", "names": [ "Fludrocortisone acetate" ] }, { "compound_id": "C08187", "inchi": "InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1", "name": "Cabergoline", "names": [ "Cabergoline" ] }, { "compound_id": "C08192", "inchi": "InChI=1S/C149H246N44O42S/c1-20-77(13)116(191-122(211)81(17)168-132(221)104(66-113(204)205)178-121(210)79(15)167-123(212)88(152)62-84-39-43-86(198)44-40-84)145(234)185-102(63-83-32-23-22-24-33-83)138(227)193-118(82(18)197)146(235)186-103(65-111(155)202)137(226)189-108(71-196)142(231)182-101(64-85-41-45-87(199)46-42-85)136(225)175-93(38-31-56-165-149(161)162)126(215)174-91(35-26-28-53-151)131(220)190-115(76(11)12)143(232)184-97(58-72(3)4)124(213)166-68-112(203)170-94(47-49-109(153)200)128(217)180-100(61-75(9)10)135(224)188-106(69-194)140(229)169-80(16)120(209)172-92(37-30-55-164-148(159)160)125(214)173-90(34-25-27-52-150)127(216)179-99(60-74(7)8)134(223)181-98(59-73(5)6)133(222)176-95(48-50-110(154)201)129(218)183-105(67-114(206)207)139(228)192-117(78(14)21-2)144(233)177-96(51-57-236-19)130(219)187-107(70-195)141(230)171-89(119(156)208)36-29-54-163-147(157)158/h22-24,32-33,39-46,72-82,88-108,115-118,194-199H,20-21,25-31,34-38,47-71,150-152H2,1-19H3,(H2,153,200)(H2,154,201)(H2,155,202)(H2,156,208)(H,166,213)(H,167,212)(H,168,221)(H,169,229)(H,170,203)(H,171,230)(H,172,209)(H,173,214)(H,174,215)(H,175,225)(H,176,222)(H,177,233)(H,178,210)(H,179,216)(H,180,217)(H,181,223)(H,182,231)(H,183,218)(H,184,232)(H,185,234)(H,186,235)(H,187,219)(H,188,224)(H,189,226)(H,190,220)(H,191,211)(H,192,228)(H,193,227)(H,204,205)(H,206,207)(H4,157,158,163)(H4,159,160,164)(H4,161,162,165)", "name": "Sermorelin", "names": [ "Sermorelin" ] }, { "compound_id": "C08193", "inchi": "InChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1", "name": "Aurothioglucose", "names": [ "Aurothioglucose" ] }, { "compound_id": "C08195", "inchi": "InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3", "name": "Meclofenoxate", "names": [ "Meclofenoxate" ] }, { "compound_id": "C08197", "inchi": "InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1", "name": "Neostigmine bromide", "names": [ "Neo proserine", "Neostigmine bromide" ] }, { "compound_id": "C08200", "inchi": "InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1", "name": "Neostigmine methylsulfate", "names": [ "Neostigmine methylsulfate" ] }, { "compound_id": "C08201", "inchi": "InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1", "name": "Acetylcholine chloride", "names": [ "Acetylcholine chloride" ] }, { "compound_id": "C08202", "inchi": "InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H", "name": "Bethanechol chloride", "names": [ "Bethanechol chloride" ] }, { "compound_id": "C08211", "inchi": "InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1", "name": "Doxercalciferol", "names": [ "1alpha-Hydroxyergocalciferol", "Doxercalciferol" ] }, { "compound_id": "C08212", "inchi": "InChI=1S/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1/t12-;/m0./s1", "name": "Levothyroxine sodium anhydrous", "names": [ "Levothyroxine sodium anhydrous" ] }, { "compound_id": "C08215", "inchi": null, "name": "Thyroid", "names": [ "Thyroid" ] }, { "compound_id": "C08217", "inchi": "InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)", "name": "Iopanoic acid", "names": [ "Iopanoic acid" ] }, { "compound_id": "C08219", "inchi": "InChI=1S/HI.K/h1H;/q;+1/p-1", "name": "Potassium iodide", "names": [ "Potassium iodide" ] }, { "compound_id": "C08228", "inchi": "InChI=1S/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H/t12-;/m0./s1", "name": "Levobunolol hydrochloride", "names": [ "Levobunolol hydrochloride" ] }, { "compound_id": "C08230", "inchi": "InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;;/m1../s1", "name": "Hydroxocobalamin", "names": [ "Hydroxocobalamin", "Hydroxycob(lll)alamin", "Hydroxycobalamin", "Vitamin B12a" ] }, { "compound_id": "C08233", "inchi": "InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)", "name": "Risedronic acid", "names": [ "Risedronate", "Risedronic acid" ] }, { "compound_id": "C08234", "inchi": "InChI=1S/C7H14O4/c1-4-7(9)5(10-2)3-6(8)11-4/h4-9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1", "name": "beta-Cymaropyranose", "names": [ "2,6-Dideoxy-3-O-methyl-D-ribo-hexose", "Cymarose", "D-Cymarose", "beta-Cymaropyranose" ] }, { "compound_id": "C08235", "inchi": "InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4+,5-,6+,7-/m1/s1", "name": "Digitalose", "names": [ "Digitalose", "beta-D-Digitalopyranose" ] }, { "compound_id": "C08236", "inchi": "InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5+,6+,7+/m1/s1", "name": "alpha-D-Mannoheptulopyranose", "names": [ "Mannoheptulose", "alpha-D-Mannoheptulopyranose" ] }, { "compound_id": "C08237", "inchi": "InChI=1S/C7H14O4/c1-4-7(9)5(10-2)3-6(8)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1", "name": "Oleandrose", "names": [ "Oleandrose", "beta-L-Oleandropyranose" ] }, { "compound_id": "C08238", "inchi": "InChI=1S/C36H62O31/c37-1-8-14(40)20(46)25(51)31(61-8)57-3-10-15(41)21(47)26(52)32(62-10)58-4-11-16(42)22(48)27(53)33(63-11)59-5-12-17(43)23(49)28(54)34(64-12)60-6-13-18(44)24(50)29(55)35(65-13)67-36(7-39)30(56)19(45)9(2-38)66-36/h8-35,37-56H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+/m1/s1", "name": "alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose", "names": [ "Ajugose", "alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose" ] }, { "compound_id": "C08239", "inchi": "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1", "name": "Gentianose", "names": [ "Gentianose", "beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside" ] }, { "compound_id": "C08240", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1", "name": "Gentiobiose", "names": [ "Gentiobiose" ] }, { "compound_id": "C08241", "inchi": "InChI=1S/C12H18O10.Na/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18;/h2-4,6-9,11-16,19H,1H3,(H,17,18);/q;+1/p-1/t3-,4-,6-,7+,8+,9?,11-,12?;/m0./s1", "name": "Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate", "names": [ "Lepidimoide", "Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate" ] }, { "compound_id": "C08242", "inchi": "InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-4-9-12(30)16(34)19(37)23(43-9)45-24(20(38)13(31)8(3-27)44-24)5-40-22-18(36)15(33)11(29)7(2-26)42-22/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23?,24+/m1/s1", "name": "Lychnose", "names": [ "1F-alpha-D-Galactosylraffinose", "Lychnose" ] }, { "compound_id": "C08243", "inchi": "InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1", "name": "Melezitose", "names": [ "Melezitose" ] }, { "compound_id": "C08244", "inchi": "InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10?,11+,12?/m0/s1", "name": "2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose", "names": [ "2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose", "Neohesperidose" ] }, { "compound_id": "C08245", "inchi": "InChI=1S/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2/t3-,4-,5+,6-,7+,8-,9-,10?,11+/m1/s1", "name": "6-O-beta-D-Xylopyranosyl-D-glucose", "names": [ "6-O-beta-D-Xylopyranosyl-D-glucose", "Primeverose" ] }, { "compound_id": "C08246", "inchi": "InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6-,7+,8-,9+,10+,11+,12+/m0/s1", "name": "Robinobiose", "names": [ "Robinobiose" ] }, { "compound_id": "C08247", "inchi": "InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12+/m0/s1", "name": "Rutinose", "names": [ "Rutinose" ] }, { "compound_id": "C08248", "inchi": "InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-12(30)16(34)18(36)22(43-8)40-4-9-13(31)20(38)24(5-27,44-9)45-23-19(37)15(33)11(29)7(2-26)42-23/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11-,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23?,24+/m1/s1", "name": "Sesamose", "names": [ "Sesamose", "alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside" ] }, { "compound_id": "C08249", "inchi": "InChI=1S/C9H13N2O6P/c12-7-4-9(11-3-1-2-10-6-11)17-8(7)5-16-18(13,14)15/h1-3,6-9,12H,4-5H2,(H-,13,14,15)/p+1/t7-,8+,9+/m0/s1", "name": "Pyrimidine 5'-deoxynucleotide", "names": [ "Pyrimidine 5'-deoxynucleotide" ] }, { "compound_id": "C08250", "inchi": "InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10?,11-,12?/m1/s1", "name": "Sophorose", "names": [ "2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose", "Sophorose", "alpha-Sophorose" ] }, { "compound_id": "C08251", "inchi": "InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-14-12(27)9(24)6(2-20)31-17(14)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16-,17?,18+/m1/s1", "name": "Umbelliferose", "names": [ "Umbelliferose", "beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside" ] }, { "compound_id": "C08252", "inchi": "InChI=1S/C30H52O26/c31-1-7-12(34)17(39)21(43)26(51-7)48-3-9-13(35)18(40)22(44)27(52-9)49-4-10-14(36)19(41)23(45)28(53-10)50-5-11-15(37)20(42)24(46)29(54-11)56-30(6-33)25(47)16(38)8(2-32)55-30/h7-29,31-47H,1-6H2/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,29-,30+/m1/s1", "name": "Verbascose", "names": [ "Verbascose", "beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside" ] }, { "compound_id": "C08253", "inchi": null, "name": "Fucoidan", "names": [ "Fucoidan" ] }, { "compound_id": "C08254", "inchi": "InChI=1S/C12H24O11/c13-1-5(16)10(20)12(21,3-15)4-22-11-9(19)8(18)7(17)6(2-14)23-11/h5-11,13-21H,1-4H2/t5-,6-,7+,8+,9-,10-,11+,12-/m1/s1", "name": "Clusianose", "names": [ "Clusianose" ] }, { "compound_id": "C08255", "inchi": "InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4+,5-,6-,7+/m1/s1", "name": "Perseitol", "names": [ "D-Glycero-D-galacto-heptitol", "Perseitol" ] }, { "compound_id": "C08257", "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6+,7-/m0/s1", "name": "(-)-Quebrachitol", "names": [ "(-)-Quebrachitol" ] }, { "compound_id": "C08258", "inchi": "InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1", "name": "(+)-Quercitol", "names": [ "(+)-Quercitol", "d-Quercitol" ] }, { "compound_id": "C08259", "inchi": "InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4-,5+,6+/m1/s1", "name": "(-)-Viburnitol", "names": [ "(-)-Viburnitol" ] }, { "compound_id": "C08260", "inchi": "InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4-,5-,6-/m1/s1", "name": "Volemitol", "names": [ "D-Glycero-D-manno-heptitol", "Volemitol" ] }, { "compound_id": "C08261", "inchi": "InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)", "name": "Azelaic acid", "names": [ "1,7-Heptanedicarboxylic acid", "Azelaic acid", "Nonanedioic acid" ] }, { "compound_id": "C08262", "inchi": "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)", "name": "3-Methylbutanoic acid", "names": [ "3-Methylbutanoic acid", "Isovalerate", "Isovaleric acid" ] }, { "compound_id": "C08263", "inchi": "InChI=1S/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3", "name": "beta-Alaninebetaine", "names": [ "Propiobetaine", "Trimethylalanine", "beta-Alanine betaine", "beta-Alaninebetaine" ] }, { "compound_id": "C08264", "inchi": "InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1", "name": "L-Albizziine", "names": [ "Albizziin", "L-Albizziine" ] }, { "compound_id": "C08265", "inchi": "InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1", "name": "Alliin", "names": [ "Alliin" ] }, { "compound_id": "C08266", "inchi": "InChI=1S/C6H10N2O5/c7-3(5(10)11)1-2-8-4(9)6(12)13/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1", "name": "L-alpha-Amino-gamma-oxalylaminobutyric acid", "names": [ "L-alpha-Amino-gamma-oxalylaminobutyric acid" ] }, { "compound_id": "C08267", "inchi": "InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1", "name": "L-Azetidine 2-carboxylic acid", "names": [ "(S)-(-)-Azetidine-2-carboxylic acid", "Azetidyl-2-carboxylic acid", "L-Azetidine 2-carboxylic acid" ] }, { "compound_id": "C08268", "inchi": "InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9)/t5-/m0/s1", "name": "L-Baikiain", "names": [ "4,5-Dehydropipecolic acid", "L-Baikiain" ] }, { "compound_id": "C08269", "inchi": "InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1", "name": "(-)-Betonicine", "names": [ "(-)-Betonicine", "Betonicine" ] }, { "compound_id": "C08270", "inchi": "InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1", "name": "L-Canaline", "names": [ "Canaline", "L-Canaline" ] }, { "compound_id": "C08271", "inchi": "InChI=1S/C8H14N2O4/c9-5(7(12)13)1-2-6(11)10-8(14)3-4-8/h5,14H,1-4,9H2,(H,10,11)(H,12,13)/t5-/m0/s1", "name": "Coprine", "names": [ "Coprine" ] }, { "compound_id": "C08272", "inchi": "InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)", "name": "Kinetin", "names": [ "6-Furfuryladenine", "Kinetin" ] }, { "compound_id": "C08273", "inchi": "InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,5,8H,3-4,6,10H2,(H,11,12)/t8-/m0/s1", "name": "2,5-Dihydrophenylalanine", "names": [ "2,5-Dihydrophenylalanine", "L-2,5-Dihydrophenylalanine" ] }, { "compound_id": "C08275", "inchi": "InChI=1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1", "name": "L-Djenkolic acid", "names": [ "Djenkolic acid", "L-Djenkolic acid" ] }, { "compound_id": "C08276", "inchi": "InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)", "name": "3-(Methylthio)propionic acid", "names": [ "3-(Methylthio)propionic acid", "3-Methylthiopropionate" ] }, { "compound_id": "C08277", "inchi": "InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)", "name": "Sebacic acid", "names": [ "Decanedioic acid", "Sebacic acid" ] }, { "compound_id": "C08278", "inchi": "InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)", "name": "Suberic acid", "names": [ "1,6-Hexanedicarboxylic acid", "1,8-Octanedioic acid", "Cork acid", "Octanedioic acid", "Suberic acid" ] }, { "compound_id": "C08279", "inchi": "InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+", "name": "Tiglic acid", "names": [ "(E)-2,3-Dimethylacrylic acid", "Tiglic acid" ] }, { "compound_id": "C08280", "inchi": "InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-,9?/m0/s1", "name": "Hypoglycine B", "names": [ "Hypoglycine B", "L-gamma-Glutamyl-L-hypoglycin" ] }, { "compound_id": "C08281", "inchi": "InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)", "name": "Docosanoic acid", "names": [ "Behenic acid", "Docosanoate", "Docosanoic acid" ] }, { "compound_id": "C08282", "inchi": "InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m1/s1", "name": "Chaulmoogric acid", "names": [ "Chaulmoogric acid" ] }, { "compound_id": "C08283", "inchi": "InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3", "name": "Homostachydrine", "names": [ "Homostachydrine" ] }, { "compound_id": "C08284", "inchi": "InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3?,4-/m0/s1", "name": "gamma-Hydroxy-L-arginine", "names": [ "gamma-Hydroxy-L-arginine" ] }, { "compound_id": "C08285", "inchi": "InChI=1S/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)", "name": "10,16-Dihydroxyhexadecanoic acid", "names": [ "10,16-Dihydroxyhexadecanoic acid", "Hexadecanoic acid, 10,16-dihydroxy-" ] }, { "compound_id": "C08286", "inchi": "InChI=1S/C7H16N4O3/c8-5(6(13)14)3-4(12)1-2-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5+/m1/s1", "name": "(+)-gamma-Hydroxy-L-homoarginine", "names": [ "(+)-gamma-Hydroxy-L-homoarginine" ] }, { "compound_id": "C08287", "inchi": "InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6?/m0/s1", "name": "L-Hypoglycin", "names": [ "Hypoglycine A", "L-Hypoglycin" ] }, { "compound_id": "C08288", "inchi": "InChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)/t5-/m0/s1", "name": "Indospicine", "names": [ "Indospicine", "L-Indospicine" ] }, { "compound_id": "C08289", "inchi": "InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13)/t4-/m0/s1", "name": "Isowillardiine", "names": [ "Isowillardiine" ] }, { "compound_id": "C08290", "inchi": "InChI=1S/C7H10N4O2/c8-5(6(12)13)3-4-1-2-10-7(9)11-4/h1-2,5H,3,8H2,(H,12,13)(H2,9,10,11)/t5-/m0/s1", "name": "Lathyrine", "names": [ "L-Lathyrine", "Lathyrine" ] }, { "compound_id": "C08291", "inchi": "InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1", "name": "3-Methylamino-L-alanine", "names": [ "3-Methylamino-L-alanine" ] }, { "compound_id": "C08292", "inchi": "InChI=1S/C6H9NO2/c1-3-2-4(3)5(7)6(8)9/h4-5H,1-2,7H2,(H,8,9)", "name": "alpha-(Methylenecyclopropyl)glycine", "names": [ "alpha-(Methylenecyclopropyl)glycine" ] }, { "compound_id": "C08294", "inchi": "InChI=1S/C6H9NO6/c7-3(4(8)9)1-2-13-6(12)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-/m0/s1", "name": "O-Oxalylhomoserine", "names": [ "O-Oxalyl-L-homoserine", "O-Oxalylhomoserine" ] }, { "compound_id": "C08295", "inchi": "InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-,11?/m0/s1", "name": "S-[(E)-Prop-1-enyl]-L-cysteine S-oxide", "names": [ "S-[(E)-Prop-1-enyl]-L-cysteine S-oxide" ] }, { "compound_id": "C08296", "inchi": "InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1", "name": "Quisqualic acid", "names": [ "Quisqualic acid" ] }, { "compound_id": "C08298", "inchi": "InChI=1S/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)/t2-,4-/m0/s1", "name": "Tricholomic acid", "names": [ "Tricholomic acid", "alpha-Amino-3-oxo-5-isoxazolidineacetic acid" ] }, { "compound_id": "C08299", "inchi": "InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3", "name": "Bufotenine", "names": [ "Bufotenin", "Bufotenine", "N,N-Dimethylserotonin" ] }, { "compound_id": "C08300", "inchi": "InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m0/s1", "name": "D-Cathine", "names": [ "(+)-Norpseudoephedrine", "Cathine", "D-Cathine" ] }, { "compound_id": "C08301", "inchi": "InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1", "name": "D-Cathinone", "names": [ "Cathinone", "D-Cathinone" ] }, { "compound_id": "C08302", "inchi": "InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3", "name": "N,N-Dimethyltryptamine", "names": [ "DMT", "N,N-Dimethyltryptamine" ] }, { "compound_id": "C08303", "inchi": "InChI=1S/C6H13N3/c1-5(2)3-4-9-6(7)8/h3H,4H2,1-2H3,(H4,7,8,9)", "name": "Galegine", "names": [ "Galegine" ] }, { "compound_id": "C08304", "inchi": "InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3", "name": "Gramine", "names": [ "Gramine" ] }, { "compound_id": "C08305", "inchi": "InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3+", "name": "Gyromitrin", "names": [ "Acetaldehyde methylformylhydrazone", "Gyromitrin" ] }, { "compound_id": "C08306", "inchi": "InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3", "name": "Hexylamine", "names": [ "1-Hexanamine", "Hexylamine" ] }, { "compound_id": "C08307", "inchi": "InChI=1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m1/s1", "name": "Hordatine A", "names": [ "Hordatine A" ] }, { "compound_id": "C08308", "inchi": "InChI=1S/C29H40N8O5/c1-41-22-17-18(6-11-23(39)34-12-2-4-14-36-28(30)31)16-21-24(27(40)35-13-3-5-15-37-29(32)33)25(42-26(21)22)19-7-9-20(38)10-8-19/h6-11,16-17,24-25,38H,2-5,12-15H2,1H3,(H,34,39)(H,35,40)(H4,30,31,36)(H4,32,33,37)/b11-6+/t24-,25+/m1/s1", "name": "Hordatine B", "names": [ "Hordatine B" ] }, { "compound_id": "C08309", "inchi": "InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3", "name": "N,N-Dimethyl-5-methoxytryptamine", "names": [ "3-[2-(N,N-Dimethylamino)ethyl]-5-methoxy-indole", "5-Methoxy-N,N-dimethyltryptamine", "Methoxybufotenin", "N,N-Dimethyl-5-methoxytryptamine", "O-Methylbufotenine" ] }, { "compound_id": "C08310", "inchi": "InChI=1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3", "name": "N-Methylmescaline", "names": [ "N-Methylmescaline" ] }, { "compound_id": "C08311", "inchi": "InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)", "name": "Muscimol", "names": [ "Muscimol" ] }, { "compound_id": "C08312", "inchi": "InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3", "name": "Psilocin", "names": [ "Psilocin" ] }, { "compound_id": "C08313", "inchi": "InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3", "name": "Skatole", "names": [ "3-Methylindole", "Skatole" ] }, { "compound_id": "C08314", "inchi": "InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m1/s1", "name": "(9R,10R)-Dihydroxyoctadecanoic acid", "names": [ "(9R,10R)-Dihydroxyoctadecanoic acid", "9,10-Dihydroxystearic acid" ] }, { "compound_id": "C08315", "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9-", "name": "(9Z,11E,13E)-Octadecatrienoic acid", "names": [ "(9Z,11E,13E)-9,11,13-Octadecatrienoic acid", "(9Z,11E,13E)-Octadecatrienoic acid", "alpha-Eleostearic acid" ] }, { "compound_id": "C08316", "inchi": "InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-", "name": "(13Z)-Docosenoic acid", "names": [ "(13Z)-Docosenoic acid", "Erucic acid", "cis-13-Docosenoic acid" ] }, { "compound_id": "C08317", "inchi": "InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)", "name": "12-Hydroxydodecanoic acid", "names": [ "12-Hydroxydodecanoic acid", "omega-Hydroxydodecanoic acid" ] }, { "compound_id": "C08318", "inchi": "InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h6-7,11,14,17,19H,2-5,8-10,12-13,15-16H2,1H3,(H,20,21)/b7-6-,14-11-/t17-/m0/s1", "name": "(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid", "names": [ "(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid", "8-Hydroxylinoleic acid", "Laetisaric acid" ] }, { "compound_id": "C08319", "inchi": "InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h5-10H,2-4,11-16H2,1H3,(H,20,21)/b6-5+,8-7+,10-9-", "name": "(9Z,11E,13E)-4-Oxooctadeca-9,11,13-trienoic acid", "names": [ "(9Z,11E,13E)-4-Oxooctadeca-9,11,13-trienoic acid", "4-Oxo-9,11,13-octadecatrienoic acid", "4-Oxo-cis-9,trans-11,trans-13-octadecatrienoic acid", "alpha-Licanic acid" ] }, { "compound_id": "C08320", "inchi": "InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)", "name": "Tetracosanoic acid", "names": [ "Lignoceric acid", "Tetracosanoic acid" ] }, { "compound_id": "C08321", "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)", "name": "Malvalic acid", "names": [ "Malvalic acid" ] }, { "compound_id": "C08322", "inchi": "InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-", "name": "Myristoleic acid", "names": [ "(9Z)-Tetradecenoic acid", "(Z)-Tetradec-9-enoic acid", "9-Tetradecenoic acid", "Myristoleic acid" ] }, { "compound_id": "C08323", "inchi": "InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-", "name": "(15Z)-Tetracosenoic acid", "names": [ "(15Z)-Tetracosenoic acid", "(Z)-15-Tetracosenoic acid", "Nervonic acid" ] }, { "compound_id": "C08324", "inchi": "InChI=1S/C14H20N2O9/c1-16-8(18)3-7(23-2)14(5-15,13(16)22)25-12-11(21)10(20)9(19)6(4-17)24-12/h3,6,9-13,17,19-22H,4H2,1-2H3/t6-,9-,10+,11-,12+,13+,14-/m1/s1", "name": "Acalyphin", "names": [ "Acalyphin" ] }, { "compound_id": "C08325", "inchi": "InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1", "name": "Amygdalin", "names": [ "(R)-Amygdalin", "(R)-Amygdaloside", "(R)-Laenitrile", "Amygdalin" ] }, { "compound_id": "C08326", "inchi": "InChI=1S/C39H49NO21/c40-12-21(18-4-2-1-3-5-18)59-39-35(52)31(48)28(45)24(61-39)16-56-37-33(50)29(46)22(14-54-37)58-25(42)11-8-17-6-9-19(10-7-17)57-38-34(51)30(47)27(44)23(60-38)15-55-36-32(49)26(43)20(41)13-53-36/h1-11,20-24,26-39,41,43-52H,13-16H2/b11-8+/t20-,21-,22-,23-,24-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-/m1/s1", "name": "Anthemis glycoside A", "names": [ "Anthemis glycoside A" ] }, { "compound_id": "C08327", "inchi": "InChI=1S/C34H41NO17/c35-12-19(17-4-2-1-3-5-17)50-34-31(45)28(42)25(39)22(52-34)15-47-32-29(43)26(40)21(14-46-32)49-23(37)11-8-16-6-9-18(10-7-16)48-33-30(44)27(41)24(38)20(13-36)51-33/h1-11,19-22,24-34,36,38-45H,13-15H2/b11-8+/t19-,20-,21-,22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34-/m1/s1", "name": "Anthemis glycoside B", "names": [ "Anthemis glycoside B" ] }, { "compound_id": "C08328", "inchi": "InChI=1S/C11H17NO7/c1-5(3-13)6(2-12)18-11-10(17)9(16)8(15)7(4-14)19-11/h6-11,13-17H,1,3-4H2/t6-,7-,8-,9+,10-,11-/m1/s1", "name": "Cardiospermin", "names": [ "Cardiospermin" ] }, { "compound_id": "C08329", "inchi": "InChI=1S/C12H17NO6/c13-6-12(3-1-2-4-12)19-11-10(17)9(16)8(15)7(5-14)18-11/h1,3,7-11,14-17H,2,4-5H2/t7-,8-,9+,10-,11+,12+/m1/s1", "name": "Deidaclin", "names": [ "Deidaclin", "NSC 370273" ] }, { "compound_id": "C08330", "inchi": "InChI=1S/C14H17NO7/c15-5-9(17)7-1-3-8(4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9?,10-,11-,12+,13-,14-/m1/s1", "name": "p-Glucosyloxymandelonitrile", "names": [ "p-Glucosyloxymandelonitrile" ] }, { "compound_id": "C08331", "inchi": "InChI=1S/C12H17NO8/c13-4-12(2-1-5(15)10(12)19)21-11-9(18)8(17)7(16)6(3-14)20-11/h1-2,5-11,14-19H,3H2/t5-,6+,7+,8-,9+,10+,11-,12+/m0/s1", "name": "Gynocardin", "names": [ "2-Cyclopentene-1-carbonitrile, 1-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-,(1alpha,4alpha,5beta)-", "Gynocardin" ] }, { "compound_id": "C08332", "inchi": "InChI=1S/C11H19NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h5-11,13-16H,4H2,1-2H3/t6-,7-,8-,9+,10-,11-/m1/s1", "name": "Heterodendrin", "names": [ "Heterodendrin" ] }, { "compound_id": "C08333", "inchi": "InChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1", "name": "Linustatin", "names": [ "Linustatin" ] }, { "compound_id": "C08334", "inchi": "InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11-/m1/s1", "name": "Lotaustralin", "names": [ "Lotaustralin" ] }, { "compound_id": "C08335", "inchi": "InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2/t10-,11?,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1", "name": "Lucumin", "names": [ "Benzeneacetonitrile,alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-,(R)-", "Lucumin", "Mandelonitrile primeveroside" ] }, { "compound_id": "C08336", "inchi": "InChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-/m1/s1", "name": "Neolinustatin", "names": [ "Neolinustatin" ] }, { "compound_id": "C08337", "inchi": "InChI=1S/C16H25NO10/c1-6(2)8(3-17)26-16-14(23)12(21)11(20)9(27-16)5-25-15-13(22)10(19)7(18)4-24-15/h7-16,18-23H,1,4-5H2,2H3/t7-,8+,9+,10-,11+,12-,13+,14+,15-,16+/m0/s1", "name": "Proacaciberin", "names": [ "Proacaciberin" ] }, { "compound_id": "C08338", "inchi": "InChI=1S/C11H17NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,1,4H2,2H3/t6-,7-,8-,9+,10-,11-/m1/s1", "name": "Proacacipetalin", "names": [ "3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (S)-", "Proacacipetalin" ] }, { "compound_id": "C08339", "inchi": "InChI=1S/C20H27NO12/c21-5-10(31-20-18(29)16(27)14(25)12(7-23)33-20)8-1-3-9(4-2-8)30-19-17(28)15(26)13(24)11(6-22)32-19/h1-4,10-20,22-29H,6-7H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1", "name": "Proteacin", "names": [ "Proteacin" ] }, { "compound_id": "C08340", "inchi": "InChI=1S/C11H17NO7/c12-3-6(4-13)1-2-18-11-10(17)9(16)8(15)7(5-14)19-11/h1,7-11,13-17H,2,4-5H2/b6-1+/t7-,8-,9+,10-,11-/m1/s1", "name": "Sarmentosin", "names": [ "2-Butenenitrile,4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)-, (E)-", "Sarmentosin" ] }, { "compound_id": "C08341", "inchi": "InChI=1S/C11H17NO8/c12-3-11(4-14)6(20-11)2-18-10-9(17)8(16)7(15)5(1-13)19-10/h5-10,13-17H,1-2,4H2/t5-,6?,7-,8+,9-,10-,11?/m1/s1", "name": "Sarmentosin epoxide", "names": [ "Sarmentosin epoxide" ] }, { "compound_id": "C08342", "inchi": "InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1-,7-6-/t8-,11-,12+,13-,14-/m1/s1", "name": "Triglochinin", "names": [ "2-Hexenedioic acid,4-(cyano(beta-D-glucopyranosyloxy)methylene)-, (E,Z)-", "Triglochinin" ] }, { "compound_id": "C08344", "inchi": "InChI=1S/C12H17NO7/c13-5-12(2-1-6(15)3-12)20-11-10(18)9(17)8(16)7(4-14)19-11/h1-2,6-11,14-18H,3-4H2/t6-,7+,8+,9-,10+,11-,12-/m0/s1", "name": "Volkenin", "names": [ "Volkenin" ] }, { "compound_id": "C08345", "inchi": "InChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1", "name": "Zierin", "names": [ "Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)", "Zierin" ] }, { "compound_id": "C08346", "inchi": "InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4+,5+/m0/s1", "name": "beta-D-Apiose", "names": [ "beta-D-Apiose" ] }, { "compound_id": "C08347", "inchi": "InChI=1S/C5H10O4/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5-/m0/s1", "name": "2-Deoxy-alpha-D-ribopyranose", "names": [ "2-Deoxy-alpha-D-ribopyranose" ] }, { "compound_id": "C08348", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1", "name": "Galacturonic acid", "names": [ "Galacturonic acid" ] }, { "compound_id": "C08349", "inchi": "InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1", "name": "beta-D-Glucosamine", "names": [ "beta-D-Glucosamine" ] }, { "compound_id": "C08350", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1", "name": "beta-D-Glucopyranuronic acid", "names": [ "beta-D-Glucopyranuronic acid", "beta-D-Glucuronic acid" ] }, { "compound_id": "C08351", "inchi": "InChI=1S/C6H12O6/c7-2-6(11)4(9)3(8)1-12-5(6)10/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m1/s1", "name": "beta-D-Hamamelopyranose", "names": [ "Hamamelose", "beta-D-Hamamelopyranose" ] }, { "compound_id": "C08352", "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1", "name": "Quinovose", "names": [ "Quinovose", "alpha-D-Quinovopyranose" ] }, { "compound_id": "C08353", "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1", "name": "beta-D-Ribopyranose", "names": [ "Ribose", "beta-D-Ribopyranose" ] }, { "compound_id": "C08354", "inchi": "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m1/s1", "name": "alpha-D-Ribulose", "names": [ "alpha-D-Ribulose" ] }, { "compound_id": "C08355", "inchi": "InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5-,6+,7-/m1/s1", "name": "beta-D-Sedoheptulopyranose", "names": [ "beta-D-Sedoheptulopyranose", "beta-D-Sedoheptulose" ] }, { "compound_id": "C08356", "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1", "name": "alpha-L-Sorbopyranose", "names": [ "alpha-L-Sorbopyranose" ] }, { "compound_id": "C08357", "inchi": "InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1", "name": "Estradiol-17beta 3-sulfate", "names": [ "Estradiol-17beta 3-sulfate" ] }, { "compound_id": "C08358", "inchi": "InChI=1S/C19H24O6S/c1-19-8-7-12-13(15(19)5-6-18(19)20)4-3-11-9-17(25-26(21,22)23)16(24-2)10-14(11)12/h9-10,12-13,15H,3-8H2,1-2H3,(H,21,22,23)/t12-,13-,15-,19+/m1/s1", "name": "2-Methoxyestrone 3-sulfate", "names": [ "2-Methoxyestrone 3-sulfate" ] }, { "compound_id": "C08359", "inchi": "InChI=1S/C19H26O6S/c1-19-8-7-12-13(15(19)5-6-18(19)20)4-3-11-9-17(25-26(21,22)23)16(24-2)10-14(11)12/h9-10,12-13,15,18,20H,3-8H2,1-2H3,(H,21,22,23)/t12-,13+,15-,18-,19-/m0/s1", "name": "2-Methoxyestradiol-17beta 3-sulfate", "names": [ "2-Methoxyestradiol-17beta 3-sulfate" ] }, { "compound_id": "C08362", "inchi": "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-", "name": "(9Z)-Hexadecenoic acid", "names": [ "(9Z)-Hexadecenoic acid", "Palmitoleic acid", "cis-9-Hexadecenoic acid" ] }, { "compound_id": "C08363", "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-", "name": "(6Z)-Octadecenoic acid", "names": [ "(6Z)-Octadecenoic acid", "Petroselinic acid", "cis-6-Octadecenoic acid" ] }, { "compound_id": "C08364", "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9-", "name": "Punicic acid", "names": [ "Punicic acid", "Trichosanic acid", "cis-9,trans-11,cis-13-Octadecatrienoic acid" ] }, { "compound_id": "C08365", "inchi": "InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1", "name": "(9Z)-(12R)-Hydroxyoctadecenoic acid", "names": [ "(9Z)-(12R)-Hydroxyoctadecenoic acid", "12-Hydroxy-9-octadecenoic acid", "12-Hydroxy-cis-9-octadecenoic acid", "Ricinoleic acid" ] }, { "compound_id": "C08366", "inchi": "InChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)", "name": "Sterculic acid", "names": [ "Sterculic acid" ] }, { "compound_id": "C08367", "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+", "name": "(11E)-Octadecenoic acid", "names": [ "(11E)-Octadecenoic acid", "Vaccenic acid", "trans-11-Octadecenoic acid" ] }, { "compound_id": "C08368", "inchi": "InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1", "name": "(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid", "names": [ "(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid", "Vernolic acid", "cis-12,13-Epoxy-cis-9-octadecenoic acid" ] }, { "compound_id": "C08369", "inchi": "InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2", "name": "Diallyl disulfide", "names": [ "Diallyl disulfide" ] }, { "compound_id": "C08370", "inchi": "InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2", "name": "Diallyl sulfide", "names": [ "Allyl sulfide", "Diallyl sulfide" ] }, { "compound_id": "C08371", "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3", "name": "Dimethyl disulfide", "names": [ "Dimethyl disulfide", "Methyl disulfide" ] }, { "compound_id": "C08372", "inchi": "InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3", "name": "Dimethyl trisulfide", "names": [ "DMTS", "Dimethyl trisulfide" ] }, { "compound_id": "C08373", "inchi": "InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3", "name": "Dipropyl disulfide", "names": [ "Dipropyl disulfide", "n-Propyl disulfide" ] }, { "compound_id": "C08374", "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3", "name": "Dodecane", "names": [ "Dodecane", "n-Dodecane" ] }, { "compound_id": "C08375", "inchi": "InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3/b4-3-,7-6-,10-9-", "name": "(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol", "names": [ "(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol", "(Z,Z,Z)-3,6,9-Dodecatrien-1-ol" ] }, { "compound_id": "C08376", "inchi": "InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3", "name": "Hentriacontane", "names": [ "Hentriacontane" ] }, { "compound_id": "C08377", "inchi": "InChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-31(33)29-30(32)27-25-23-21-19-17-14-12-10-8-6-4-2/h3-29H2,1-2H3", "name": "14,16-Hentriacontanedione", "names": [ "14,16-Hentriacontanedione", "Hentriacontane-14,16-dione" ] }, { "compound_id": "C08378", "inchi": "InChI=1S/C31H64O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32/h32H,2-31H2,1H3", "name": "Hentriacontan-1-ol", "names": [ "1-Hentriacontanol", "Hentriacontan-1-ol" ] }, { "compound_id": "C08379", "inchi": "InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3", "name": "Hentriacontan-16-one", "names": [ "16-Hentriacontanone", "Hentriacontan-16-one" ] }, { "compound_id": "C08380", "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3", "name": "2-Heptanone", "names": [ "2-Heptanone", "Heptan-2-one", "Methyl n-amyl ketone" ] }, { "compound_id": "C08381", "inchi": "InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3", "name": "Hexacosan-1-ol", "names": [ "1-Hexacosanol", "Hexacosan-1-ol" ] }, { "compound_id": "C08382", "inchi": "InChI=1S/C2H4S5/c1-3-4-2-6-7-5-1/h1-2H2", "name": "Lenthionine", "names": [ "1,2,3,5,6-Pentathiepane", "Lenthionine" ] }, { "compound_id": "C08383", "inchi": "InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3", "name": "Methyl allyl disulfide", "names": [ "Allyl methyl disulfide", "Methyl allyl disulfide" ] }, { "compound_id": "C08384", "inchi": "InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3", "name": "Nonacosane", "names": [ "Nonacosane" ] }, { "compound_id": "C08385", "inchi": "InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3/t29-/m0/s1", "name": "(10S)-Nonacosan-10-ol", "names": [ "(10S)-Nonacosan-10-ol", "Ginnol" ] }, { "compound_id": "C08386", "inchi": "InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3", "name": "Nonacosan-10-one", "names": [ "Ginnone", "Nonacosan-10-one" ] }, { "compound_id": "C08387", "inchi": "InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3", "name": "Octacosan-1-ol", "names": [ "1-Octacosanol", "Octacosan-1-ol", "Octacosanol" ] }, { "compound_id": "C08388", "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3", "name": "Pentadecane", "names": [ "Pentadecane", "n-Pentadecane" ] }, { "compound_id": "C08389", "inchi": "InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3", "name": "Propanethial S-oxide", "names": [ "Propanethial S-oxide", "Thiopropanal S-oxide" ] }, { "compound_id": "C08390", "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3", "name": "Propane-1-thiol", "names": [ "Propane-1-thiol", "Propanethiol", "Propyl mercaptan" ] }, { "compound_id": "C08391", "inchi": "InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3", "name": "Propane-2-thiol", "names": [ "2-Propanethiol", "Isopropyl mercaptan", "Propane-2-thiol" ] }, { "compound_id": "C08392", "inchi": "InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3", "name": "Triacontan-1-ol", "names": [ "1-Triacontanol", "Myricyl alcohol", "Triacontan-1-ol" ] }, { "compound_id": "C08393", "inchi": "InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3", "name": "Tritriacontane", "names": [ "Tritriacontane" ] }, { "compound_id": "C08394", "inchi": "InChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3", "name": "Tritriacontane-16,18-dione", "names": [ "N-Tritriacontane-16,18-dione", "Tritriacontane-16,18-dione" ] }, { "compound_id": "C08395", "inchi": "InChI=1S/C13H14/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5-6,8,10,12H,4H2,1-2H3/b5-3+,8-6+,12-10+", "name": "Aethusin", "names": [ "2,8,10-Tridecatriene-4,6-diyne", "Aethusin" ] }, { "compound_id": "C08396", "inchi": "InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-5,10-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+", "name": "Anacyclin", "names": [ "(2E,4E)-N-(2-Methylpropyl)-2,4-tetradecadiene-8,10-diynamide", "Anacyclin" ] }, { "compound_id": "C08397", "inchi": "InChI=1S/C12H8S2/c1-2-3-5-10-7-8-12(14-10)11-6-4-9-13-11/h2,4,6-9H,1H2", "name": "5-(3-Buten-1-ynyl)-2,2'-bithiophene", "names": [ "5-(3-Buten-1-ynyl)-2,2'-bithienyl", "5-(3-Buten-1-ynyl)-2,2'-bithiophene" ] }, { "compound_id": "C08398", "inchi": "InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3", "name": "Capillin", "names": [ "Capillin" ] }, { "compound_id": "C08399", "inchi": "InChI=1S/C13H10O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,5-7,10-11H,8H2", "name": "Carlina oxide", "names": [ "Carlina oxide" ] }, { "compound_id": "C08400", "inchi": "InChI=1S/C13H25NO10S3/c1-26(19)6-4-2-3-5-9(14-24-27(20,21)22)25-13-12(18)11(17)10(16)8(7-15)23-13/h8,10-13,15-18H,2-7H2,1H3,(H,20,21,22)/t8-,10-,11+,12-,13+,26?/m1/s1", "name": "Glucoalyssin", "names": [ "5-Methylsulfinylpentyl glucosinolate", "Glucoalyssin" ] }, { "compound_id": "C08401", "inchi": "InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/t8-,10-,11+,12-,13+/m1/s1", "name": "Glucoberteroin", "names": [ "5-Methylthiopentyl glucosinolate", "Glucoberteroin" ] }, { "compound_id": "C08402", "inchi": "InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+/t17-/m1/s1", "name": "Cicutoxin", "names": [ "Cicutoxin" ] }, { "compound_id": "C08403", "inchi": "InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/t7-,9-,10+,11-,12+/m1/s1", "name": "Glucobrassicanapin", "names": [ "4-Pentenyl glucosinolate", "Glucobrassicanapin" ] }, { "compound_id": "C08404", "inchi": "InChI=1S/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)/t4-,5-,6+,7-,8+/m1/s1", "name": "Glucocapparin", "names": [ "Glucocapparin", "Methyl glucosinolate" ] }, { "compound_id": "C08405", "inchi": "InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/t6-,8-,9+,10-,11+/m1/s1", "name": "Glucocheirolin", "names": [ "3-Methylsufonylpropyl glucosinolate", "Glucocheirolin" ] }, { "compound_id": "C08406", "inchi": "InChI=1S/C12H23NO10S2/c1-3-12(2,18)4-7(13-23-25(19,20)21)24-11-10(17)9(16)8(15)6(5-14)22-11/h6,8-11,14-18H,3-5H2,1-2H3,(H,19,20,21)/t6-,8-,9+,10-,11+,12+/m1/s1", "name": "Glucocleomin", "names": [ "2-Hydroxy-2-methylbutyl glucosinolate", "Glucocleomin" ] }, { "compound_id": "C08407", "inchi": "InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/t5-,6+,7+,8-,9+,11-/m0/s1", "name": "Glucocochlearin", "names": [ "1-Methylpropyl glucosinolate", "Glucocochlearin" ] }, { "compound_id": "C08408", "inchi": "InChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12-22-24(18,19)20)23-10-9(16)8(15)7(14)5(4-13)21-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,18,19,20)/t5-,7-,8+,9-,10+/m1/s1", "name": "Glucoconringiin", "names": [ "2-Hydroxy-2-methylpropyl glucosinolate", "Glucoconringiin" ] }, { "compound_id": "C08409", "inchi": "InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/t7-,9-,10+,11-,12+/m1/s1", "name": "Glucoerucin", "names": [ "4-Methylthiobutyl glucosinolate", "Glucoerucin" ] }, { "compound_id": "C08410", "inchi": "InChI=1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)/t7-,9-,10+,11-,12+/m1/s1", "name": "Glucoerysolin", "names": [ "4-Methylsulfonylbutyl glucosinolate", "Glucoerysolin" ] }, { "compound_id": "C08411", "inchi": "InChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/t6-,8-,9+,10-,11+,24?/m1/s1", "name": "Glucoiberin", "names": [ "3-Methylsulfinylpropyl glucosinolate", "Glucoiberin" ] }, { "compound_id": "C08412", "inchi": "InChI=1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/t6-,8-,9+,10-,11+/m1/s1", "name": "Glucoiberverin", "names": [ "3-Methylthiopropyl glucosinolate", "Glucoiberverin" ] }, { "compound_id": "C08413", "inchi": "InChI=1S/C9H17NO9S2/c1-2-5(10-19-21(15,16)17)20-9-8(14)7(13)6(12)4(3-11)18-9/h4,6-9,11-14H,2-3H2,1H3,(H,15,16,17)/t4-,6-,7+,8-,9+/m1/s1", "name": "Glucolepidiin", "names": [ "Ethyl glucosinolate", "Glucolepidiin" ] }, { "compound_id": "C08414", "inchi": "InChI=1S/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1", "name": "Glucolimnanthin", "names": [ "Glucolimnanthin" ] }, { "compound_id": "C08415", "inchi": "InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/t6-,8-,9+,10-,11+/m1/s1", "name": "Gluconapin", "names": [ "3-Butenylglucosinolate", "Gluconapin" ] }, { "compound_id": "C08416", "inchi": "InChI=1S/C12H21NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h2,6-7,9-12,14-18H,1,3-5H2,(H,19,20,21)/t6-,7+,9+,10-,11+,12-/m0/s1", "name": "Gluconapoleiferin", "names": [ "2-Hydroxy-4-pentenyl glucosinolate", "Gluconapoleiferin" ] }, { "compound_id": "C08417", "inchi": "InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1", "name": "Gluconasturtiin", "names": [ "2-Phenylethyl glucosinolate", "Gluconasturtiin" ] }, { "compound_id": "C08418", "inchi": "InChI=1S/C10H19NO9S2/c1-4(2)9(11-20-22(16,17)18)21-10-8(15)7(14)6(13)5(3-12)19-10/h4-8,10,12-15H,3H2,1-2H3,(H,16,17,18)/t5-,6-,7+,8-,10+/m1/s1", "name": "Glucoputranjivin", "names": [ "1-Methylethyl glucosinolate", "Glucoputranjivin" ] }, { "compound_id": "C08419", "inchi": "InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/t7-,9-,10+,11-,12+,25?/m1/s1", "name": "Glucoraphanin", "names": [ "4-Methylsulfinylbutyl glucosinolate", "Glucoraphanin" ] }, { "compound_id": "C08420", "inchi": "InChI=1S/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3+,13-8?/t7-,9-,10+,11-,12+,25?/m1/s1", "name": "Glucoraphenin", "names": [ "4-Methylsufinyl-3-butenyl glucosinolate", "Glucoraphenin" ] }, { "compound_id": "C08422", "inchi": "InChI=1S/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/b18-11+/t10-,13-,14+,15-,16+/m1/s1", "name": "4-Hydroxyglucobrassicin", "names": [ "4-Hydroxy-3-indolylmethylglucosinolate", "4-Hydroxyglucobrassicin" ] }, { "compound_id": "C08423", "inchi": "InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/t11-,14-,15+,16-,17+/m1/s1", "name": "4-Methoxyglucobrassicin", "names": [ "4-Methoxy-3-indolylmethyl glucosinolate", "4-Methoxyglucobrassicin" ] }, { "compound_id": "C08424", "inchi": "InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/t12-,14-,15+,16-,17+/m1/s1", "name": "Neoglucobrassicin", "names": [ "1-Methoxy-3-indolylmethyl glucosinolate", "Neoglucobrassicin" ] }, { "compound_id": "C08425", "inchi": "InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/t5-,6+,8+,9-,10+,11-/m0/s1", "name": "Progoitrin", "names": [ "2(R)-2-Hydroxy-3-butenyl glucosinolate", "Glucorapiferin", "Progoitrin" ] }, { "compound_id": "C08426", "inchi": "InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/t9-,11-,12+,13-,14+/m1/s1", "name": "Sinalbin", "names": [ "Sinalbin", "p-Hydroxybenzyl glucosinolate" ] }, { "compound_id": "C08427", "inchi": "InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/t5-,7-,8+,9-,10+/m1/s1", "name": "Sinigrin", "names": [ "2-Propenyl glucosinolate", "Sinigrin" ] }, { "compound_id": "C08428", "inchi": "InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)5-8-6-18(32(23,24)25)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-22H,5,7H2,(H,23,24,25)(H,26,27,28)/t11-,13-,14+,15-,16+/m1/s1", "name": "(N-Sulfoindol-3-yl)methylglucosinolate", "names": [ "(N-Sulfoindol-3-yl)methylglucosinolate" ] }, { "compound_id": "C08429", "inchi": "InChI=1S/C11H15N2O9P/c12-6-1-2-13(3-5(6)11(16)17)10-9(15)8(14)7(22-10)4-21-23(18,19)20/h1-3,7-10,12,14-15H,4H2,(H,16,17)(H2,18,19,20)/t7-,8-,9-,10-/m1/s1", "name": "Clitidine 5'-phosphate", "names": [ "1,4-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid", "Clitidine 5'-phosphate" ] }, { "compound_id": "C08430", "inchi": "InChI=1S/C10H15N3O8/c11-7-6(8(18)13-10(19)12-7)21-9-5(17)4(16)3(15)2(1-14)20-9/h2-5,9,14-17H,1H2,(H4,11,12,13,18,19)/t2-,3-,4+,5-,9+/m1/s1", "name": "Convicine", "names": [ "Convicine" ] }, { "compound_id": "C08431", "inchi": "InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1", "name": "Cordycepin", "names": [ "3'-Deoxyadenosine", "Cordycepin" ] }, { "compound_id": "C08432", "inchi": "InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1", "name": "Isoguanosine", "names": [ "Crotonoside", "Isoguanosine" ] }, { "compound_id": "C08433", "inchi": "InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37-,38+,39-,40+,41-,42+,43+/m0/s1", "name": "Amataine", "names": [ "Amataine", "Subssesiline" ] }, { "compound_id": "C08434", "inchi": "InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)", "name": "6-Methylaminopurine", "names": [ "6-Methylaminopurine", "N6-Methyladenine" ] }, { "compound_id": "C08435", "inchi": "InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6H,4,11H2,1-2H3", "name": "Triacanthine", "names": [ "Triacanthine" ] }, { "compound_id": "C08437", "inchi": "InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1", "name": "Vicine", "names": [ "Vicine" ] }, { "compound_id": "C08438", "inchi": "InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16-,17-,19+,23-,24-,25-,26-,27-,31-,32-,64?/m0/s1", "name": "alpha-Amanitin", "names": [ "alpha-Amanitin" ] }, { "compound_id": "C08439", "inchi": "InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)/t15-,16-,17-,18-,22-,23-,24-,25-,26+,35+/m0/s1", "name": "Phalloidin", "names": [ "Phalloidin", "Phalloidine" ] }, { "compound_id": "C08440", "inchi": "InChI=1S/C15H34N9O8PS/c1-9(12(25)23-11(14(27)28)6-2-3-7-20-15(17)18)22-13(26)10(16)5-4-8-21-33(19,29)24-34(30,31)32/h9-11H,2-8,16H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H4,17,18,20)(H,30,31,32)(H4,19,21,24,29)/t9-,10-,11-,33?/m0/s1", "name": "Phaseolotoxin", "names": [ "N5-[Amino(sulfoamino)phosphinyl]-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine", "Phaseolotoxin" ] }, { "compound_id": "C08441", "inchi": "InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-/t15-,17-/m0/s1", "name": "Tentoxin", "names": [ "Tentoxin" ] }, { "compound_id": "C08442", "inchi": "InChI=1S/C28H43N5O12S/c1-6-28(4)23(26(41)31-10-19(36)37)33-24(39)20(12(2)3)32-25(40)21(30-5)22(38)14-8-17(45-28)16(35)9-18(14)46(44)11-13(34)7-15(29)27(42)43/h8-9,12-13,15,20-23,30,34-35,38H,6-7,10-11,29H2,1-5H3,(H,31,41)(H,32,40)(H,33,39)(H,36,37)(H,42,43)/t13?,15-,20-,21-,22+,23+,28+,46+/m0/s1", "name": "Ustiloxin", "names": [ "Ustiloxin", "Ustiloxin A" ] }, { "compound_id": "C08443", "inchi": "InChI=1S/C31H45Cl3N6O13/c1-11(2)23-21(28(47)38-16(10-32)26(45)37-15(30(49)50)8-13-19(53-23)9-18(42)22(13)43)40-27(46)20(17(41)5-4-6-35)39-25(44)14(7-12(3)24(33)34)36-29(48)31(51)52/h10-12,14-15,17-18,20-21,23-24,31,41-42,51-52H,4-9,35H2,1-3H3,(H,36,48)(H,37,45)(H,38,47)(H,39,44)(H,40,46)(H,49,50)/b16-10+/t12?,14-,15-,17+,18?,20-,21-,23?/m0/s1", "name": "Victorin C", "names": [ "Victorin C" ] }, { "compound_id": "C08445", "inchi": "InChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,10-11H,1-2,5-9,12H2/b11-10-", "name": "Dehydrofalcarinone", "names": [ "Dehydrofalcarinone" ] }, { "compound_id": "C08446", "inchi": "InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9+", "name": "Dehydromatricaria ester", "names": [ "(E)-2-Decene-4,6,8-triynoic acid methyl ester", "Dehydromatricaria ester" ] }, { "compound_id": "C08447", "inchi": "InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,13-15H,12H2,1H3/b3-2+/t13-/m1/s1", "name": "Dehydrosafynol", "names": [ "(2R,11E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol", "Dehydrosafynol" ] }, { "compound_id": "C08448", "inchi": "InChI=1S/C12H10O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h4,6-8,14H,1H2,2H3", "name": "Eutypine", "names": [ "4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde", "Eutypine" ] }, { "compound_id": "C08449", "inchi": "InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1", "name": "Falcarindiol", "names": [ "Falcarindiol" ] }, { "compound_id": "C08450", "inchi": "InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1", "name": "Falcarinol", "names": [ "Falcarinol", "Panaxynol" ] }, { "compound_id": "C08451", "inchi": "InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3/b11-10-", "name": "Falcarinone", "names": [ "(Z)-1,9-Heptadecadiene-4,6-diyn-3-one", "Falcarinone" ] }, { "compound_id": "C08452", "inchi": "InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h8,11,13-15H,9-10,12H2,1H3/b11-8+/t13-,14+/m1/s1", "name": "Ichthyotherol", "names": [ "2H-Pyran-3-ol, tetrahydro-2-(1-nonene-3,5,7-triynyl)-, (2S-(2alpha(E),3beta))-", "Ichthyotherol" ] }, { "compound_id": "C08453", "inchi": "InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9+", "name": "Lachnophyllum ester", "names": [ "2-Decene-4,6-diynoic acid, methyl ester, (E)-", "Lachnophyllum ester" ] }, { "compound_id": "C08454", "inchi": "InChI=1S/C20H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h10-13,16-17,19H,4-7,14-15,18H2,1-3H3,(H,21,22)/b11-10+,13-12+,17-16+", "name": "(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide", "names": [ "(2E,6E,8E)-N-Isobutyl-2,6,8-hexadecatriene-10-yneamide", "(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide" ] }, { "compound_id": "C08455", "inchi": "InChI=1S/C13H10O3/c1-2-3-4-5-6-11-7-9-13(16-11)12(14)8-10-15-13/h6-10,12,14H,1H3/b11-6+", "name": "Mycosinol", "names": [ "(2E)-2-Hexa-2,4-diynylidene-1,6-dioxaspiro(4.4)nona-3,7-dien-9-ol", "Mycosinol" ] }, { "compound_id": "C08456", "inchi": "InChI=1S/C13H8/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,1H3", "name": "Phenylheptatriyne", "names": [ "1-Phenylhepta-1,3,5-triyne", "Phenylheptatriyne" ] }, { "compound_id": "C08457", "inchi": "InChI=1S/C13H10/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-3,6,8-9,11-12H,1H3/b3-2+", "name": "1-Phenyl-5-heptene-1,3-diyne", "names": [ "1-Phenyl-5-heptene-1,3-diyne", "Benzene, 5-heptene-1,3-diynyl-" ] }, { "compound_id": "C08458", "inchi": "InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2+,11-10+/t13-/m1/s1", "name": "Safynol", "names": [ "(2R,3E,11E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol", "Safynol" ] }, { "compound_id": "C08459", "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)", "name": "Stearolic acid", "names": [ "9-Stearolic acid", "Stearolic acid" ] }, { "compound_id": "C08460", "inchi": "InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H", "name": "alpha-Terthienyl", "names": [ "Terthiophene", "alpha-Terthienyl" ] }, { "compound_id": "C08461", "inchi": "InChI=1S/C13H8S2/c1-3-5-6-7-9-13-11-10-12(8-4-2)14-15-13/h3,10-11H,1H2,2H3", "name": "Thiarubrine A", "names": [ "3-(5-Hexene-1,3-diynyl)-6-(1-propynyl)-1,2-dithiin", "Thiarubrin A", "Thiarubrine A" ] }, { "compound_id": "C08462", "inchi": "InChI=1S/C13H8S2/c1-3-5-7-9-13-11-10-12(14-15-13)8-6-4-2/h4,10-11H,2H2,1H3", "name": "Thiarubrine B", "names": [ "3-(3-Buten-1-ynyl)-6-(1,3-pentadiynyl)-1,2-dithiin", "Thiarubrin B", "Thiarubrine B" ] }, { "compound_id": "C08463", "inchi": "InChI=1S/C6H2/c1-3-5-6-4-2/h1-2H", "name": "Triacetylene", "names": [ "1,3,5-Hexatriyne", "Triacetylene" ] }, { "compound_id": "C08464", "inchi": "InChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3", "name": "1-Tridecene-3,5,7,9,11-pentayne", "names": [ "1-Tridecene-3,5,7,9,11-pentayne", "Tridec-1-ene-3,5,7,9,11-pentayne" ] }, { "compound_id": "C08465", "inchi": "InChI=1S/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-9+", "name": "Wyerone", "names": [ "Wyerone" ] }, { "compound_id": "C08466", "inchi": "InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8+", "name": "Wyerone acid", "names": [ "Wyerone acid" ] }, { "compound_id": "C08467", "inchi": "InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30-,31+,32+,33+,34+,35+,36+/m0/s1", "name": "Asimicin", "names": [ "Asimicin", "Bullatacin" ] }, { "compound_id": "C08468", "inchi": "InChI=1S/C16H21NO6/c1-9(11-6-17-12-5-3-2-4-10(11)12)16(22)23-8-14(20)15(21)13(19)7-18/h2-6,9,13-15,17-21H,7-8H2,1H3/t9-,13-,14-,15-/m1/s1", "name": "Acremoauxin A", "names": [ "2-(3-Indolyl)propanoylmannitol", "Acremoauxin A" ] }, { "compound_id": "C08469", "inchi": "InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)", "name": "Aristolochic acid", "names": [ "Aristolochic acid", "Aristolochic acid I" ] }, { "compound_id": "C08470", "inchi": "InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31+,32-,33-,34-,35-,36-/m1/s1", "name": "Bullatacinone", "names": [ "Bullatacinone" ] }, { "compound_id": "C08471", "inchi": "InChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3/t8-,9+/m0/s1", "name": "Chalcogran", "names": [ "Chalcogran" ] }, { "compound_id": "C08472", "inchi": "InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-7-6-12(19)9-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+", "name": "Avenanthramide A", "names": [ "Avenanthramide A" ] }, { "compound_id": "C08473", "inchi": "InChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(19)12(25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1", "name": "Cibarian", "names": [ "Cibarian", "beta-D-Glucopyranose, 1,6-bis(3-nitropropanoate)" ] }, { "compound_id": "C08474", "inchi": "InChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(12(19)25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1", "name": "Coronarian", "names": [ "Coronarian", "alpha-D-Glucopyranose, 2,6-bis(3-nitropropanoate)" ] }, { "compound_id": "C08475", "inchi": "InChI=1S/C11H13N3O6/c15-7(16)1-2-11(10(19)20)8-5(12-4-13-8)3-6(14-11)9(17)18/h4,6,14H,1-3H2,(H,12,13)(H,15,16)(H,17,18)(H,19,20)/t6-,11-/m0/s1", "name": "Cucumopine", "names": [ "Cucumopine" ] }, { "compound_id": "C08476", "inchi": "InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)", "name": "Chelidonic acid", "names": [ "4-Oxo-4H-pyran-2,6-dicarboxylic acid", "Chelidonic acid" ] }, { "compound_id": "C08477", "inchi": "InChI=1S/C14H9NO3/c16-10-6-7-11-12(8-10)15-13(18-14(11)17)9-4-2-1-3-5-9/h1-8,16H", "name": "Dianthalexin", "names": [ "7-Hydroxy-2-phenyl-4H-3,1-benzoxazin-4-one", "Dianthalexin" ] }, { "compound_id": "C08478", "inchi": "InChI=1S/C14H11NO6/c16-7-1-3-9(13(18)19)11(5-7)15-12-6-8(17)2-4-10(12)14(20)21/h1-6,15-17H,(H,18,19)(H,20,21)", "name": "Dianthramine", "names": [ "2,2'-Iminobis(4-hydroxybenzoic acid)", "Dianthramine" ] }, { "compound_id": "C08480", "inchi": "InChI=1S/C10H7NO4/c12-5-1-2-7-6(3-5)9(13)4-8(11-7)10(14)15/h1-4,12H,(H,11,13)(H,14,15)", "name": "6-Hydroxykynurenic acid", "names": [ "6-Hydroxykynurenic acid" ] }, { "compound_id": "C08481", "inchi": "InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14?/m1/s1", "name": "Indican", "names": [ "Indican", "Indican, plant" ] }, { "compound_id": "C08482", "inchi": "InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1", "name": "Cucurbic acid", "names": [ "Cucurbic acid" ] }, { "compound_id": "C08483", "inchi": "InChI=1S/C16H20O6/c1-3-5-9-13-10(15(20)22-16(13)21)6-8(4-2)11(17)7-12(18)14(9)19/h4,9,11,14,17,19H,3,5-7H2,1-2H3/b8-4-/t9-,11+,14+/m1/s1", "name": "14-Dihydroxycornestin", "names": [ "14-Dihydroxycornestin", "Cornexistin" ] }, { "compound_id": "C08484", "inchi": "InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33-34(38-33)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)37-35(32)36/h19,22,30-31,33-34H,3-18,20-21,23-29H2,1-2H3/b22-19-", "name": "Epoxymurin-A", "names": [ "Epoxymurin-A" ] }, { "compound_id": "C08485", "inchi": "InChI=1S/C18H16O3/c1-20-14-9-6-13(7-10-14)8-11-15-12-17(19)16-4-2-3-5-18(16)21-15/h2-7,9-10,12H,8,11H2,1H3", "name": "2-(4-Methoxyphenethyl)chromone", "names": [ "2-(4-Methoxyphenethyl)chromone" ] }, { "compound_id": "C08486", "inchi": "InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+", "name": "Ethyl(E,Z)-decadienoate", "names": [ "(2E,4Z)-2,4-Decadienoic acid, ethyl ester", "Ethyl trans-2,cis-4-decadienoate", "Ethyl(E,Z)-decadienoate" ] }, { "compound_id": "C08487", "inchi": "InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+", "name": "Ethyl tiglate", "names": [ "(E)-2-Methyl-2-butenoic acid ethyl ester", "Ethyl 2-methylbut-2-enoate", "Ethyl tiglate" ] }, { "compound_id": "C08488", "inchi": "InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-11-12-13-20-25-33(38)34(39)26-21-15-14-17-22-31(36)23-18-16-19-24-32(37)28-30-27-29(2)41-35(30)40/h14-15,27,29,31-34,36-39H,3-13,16-26,28H2,1-2H3/b15-14-/t29-,31-,32+,33+,34+/m0/s1", "name": "Giganin", "names": [ "Giganin" ] }, { "compound_id": "C08489", "inchi": "InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-6H,1,4,7-9H2,2H3/b6-5-", "name": "(Z)-3,5-Hexadienyl butyrate", "names": [ "(Z)-3,5-Hexadienyl butyrate" ] }, { "compound_id": "C08490", "inchi": "InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-", "name": "Jasmone", "names": [ "Jasmone", "cis-Jasmone" ] }, { "compound_id": "C08491", "inchi": "InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1", "name": "(-)-Jasmonic acid", "names": [ "(-)-Jasmonic acid", "Jasmonate", "Jasmonic acid", "{(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid" ] }, { "compound_id": "C08492", "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-", "name": "3-Hexenol", "names": [ "(3Z)-3-Hexen-1-ol", "(3Z)-Hex-3-en-1-ol", "3-Hexen-1-ol", "3-Hexenol", "Leaf alcohol", "cis-3-Hexen-1-ol", "cis-3-hexene-1-ol" ] }, { "compound_id": "C08493", "inchi": "InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H", "name": "Indole-3-carboxaldehyde", "names": [ "Indole-3-carbaldehyde", "Indole-3-carboxaldehyde" ] }, { "compound_id": "C08494", "inchi": "InChI=1S/C14H15NO7/c16-6-14(20)11(18)9(17)10(22-14)13(19)21-12-8-4-2-1-3-7(8)5-15-12/h1-4,9-11,16-18,20H,5-6H2/t9-,10?,11+,14-/m1/s1", "name": "Isotan B", "names": [ "Isotan B" ] }, { "compound_id": "C08495", "inchi": "InChI=1S/C15H21N3O15/c19-9(1-4-16(24)25)30-7-8-12(22)13(23)14(32-10(20)2-5-17(26)27)15(31-8)33-11(21)3-6-18(28)29/h8,12-15,22-23H,1-7H2/t8-,12-,13+,14-,15+/m1/s1", "name": "Karakin", "names": [ "Endecaphillin A", "Karakin", "beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)" ] }, { "compound_id": "C08496", "inchi": "InChI=1S/C9H15N3O7/c10-6(13)3-12-5(9(18)19)2-11-4(8(16)17)1-7(14)15/h4-5,11-12H,1-3H2,(H2,10,13)(H,14,15)(H,16,17)(H,18,19)/t4-,5?/m0/s1", "name": "Lycomarasmine B", "names": [ "Lycomarasmine", "Lycomarasmine B" ] }, { "compound_id": "C08497", "inchi": "InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+", "name": "(E)-2-Hexenal", "names": [ "(E)-2-Hexenal", "Leaf aldehyde", "trans-2-Hexenal" ] }, { "compound_id": "C08498", "inchi": "InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10+/m0/s1", "name": "Lilac aldehyde", "names": [ "Lilac aldehyde" ] }, { "compound_id": "C08499", "inchi": "InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+", "name": "Nona-2,6-dienal", "names": [ "2,6-Nonadienal, (2E,6Z)-", "Nona-2,6-dienal" ] }, { "compound_id": "C08501", "inchi": "InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3/t8-/m0/s1", "name": "gamma-Nonalactone", "names": [ "Dihydro-5-pentyl-2(3H)-furanone", "delta-n-Amylbutyrolactone", "gamma-Nonalactone" ] }, { "compound_id": "C08502", "inchi": "InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/m0/s1", "name": "Parasorbic acid", "names": [ "Parasorbic acid" ] }, { "compound_id": "C08503", "inchi": "InChI=1S/C18H26O6/c1-3-5-6-12-16(20)23-15-11-8-7-10-13(19)17(21)14(9-4-2)24-18(15)22/h3,5-7,10,12-15,17,19,21H,4,8-9,11H2,1-2H3/b5-3+,10-7+,12-6+", "name": "Pinolidoxin", "names": [ "Pinolidoxin" ] }, { "compound_id": "C08504", "inchi": "InChI=1S/C13H24N2O11/c1-15(22)14-4-25-13-11(21)9(19)8(18)6(26-13)3-24-12-10(20)7(17)5(16)2-23-12/h5-13,16-21H,2-4H2,1H3/b15-14-/t5-,6-,7+,8-,9+,10-,11-,12+,13-/m1/s1", "name": "Macrozamin", "names": [ "Macrozamin" ] }, { "compound_id": "C08505", "inchi": "InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3", "name": "Purpureacin-1", "names": [ "Purpureacin-1" ] }, { "compound_id": "C08506", "inchi": "InChI=1S/C12H14N2OS2/c1-15-14-8-9(7-13-12(16)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,16)", "name": "Methoxybrassinin", "names": [ "Methoxybrassinin" ] }, { "compound_id": "C08507", "inchi": "InChI=1S/C9H17NO8/c11-4-5-6(12)7(13)8(14)9(18-5)17-3-1-2-10(15)16/h5-9,11-14H,1-4H2/t5-,6-,7+,8-,9-/m1/s1", "name": "Miserotoxin", "names": [ "Miserotoxin" ] }, { "compound_id": "C08509", "inchi": "InChI=1S/C12H20O3/c1-2-5-11-8-3-6-10(13)7-4-9-12(14)15-11/h3,6,10-11,13H,2,4-5,7-9H2,1H3/b6-3+/t10-,11?/m1/s1", "name": "Putaminoxin", "names": [ "Putaminoxin" ] }, { "compound_id": "C08510", "inchi": "InChI=1S/C16H26N4O2/c1-21-15-8-6-13(10-16(15)22-2)5-7-14(20-12-18)4-3-9-19-11-17/h6,8,10-12,14H,3-5,7,9H2,1-2H3,(H2,17,19)(H2,18,20)", "name": "Ruscopine", "names": [ "Ruscopine" ] }, { "compound_id": "C08511", "inchi": "InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,7-8H,4H2,1-3H3,(H,11,14)/t5-,7?,8-/m0/s1", "name": "Tenuazonic acid", "names": [ "Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-", "Tenuazonic acid" ] }, { "compound_id": "C08512", "inchi": "InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1", "name": "Ranunculin", "names": [ "Ranunculin" ] }, { "compound_id": "C08513", "inchi": "InChI=1S/C18H19NO4/c1-10(20)23-14-3-2-11-4-5-19-8-12-6-15-16(22-9-21-15)7-13(12)17(14)18(11)19/h2,6-7,14,17-18H,3-5,8-9H2,1H3/t14-,17-,18-/m1/s1", "name": "Acetylcaranine", "names": [ "Acetylcaranine", "Belamarine" ] }, { "compound_id": "C08514", "inchi": "InChI=1S/C19H23NO6/c1-10(21)26-11-5-15-19(16(22)6-11)3-4-20(15)8-12-13(19)7-14-18(17(12)23-2)25-9-24-14/h7,11,15-16,22H,3-6,8-9H2,1-2H3/t11-,15-,16-,19+/m1/s1", "name": "3-Acetylnerbowdine", "names": [ "3-Acetylnerbowdine" ] }, { "compound_id": "C08515", "inchi": "InChI=1S/C19H23NO5/c1-20-8-7-10-5-6-12-14(16(10)20)11-9-13(22-2)17(23-3)18(24-4)15(11)19(21)25-12/h5,9,12,14,16H,6-8H2,1-4H3/t12-,14-,16-/m1/s1", "name": "Albomaculine", "names": [ "Albomaculine" ] }, { "compound_id": "C08516", "inchi": "InChI=1S/C18H23NO4/c1-21-11-4-5-18-6-7-19(15(18)8-11)10-12-13(18)9-14(20)17(23-3)16(12)22-2/h4-5,9,11,15,20H,6-8,10H2,1-3H3/t11-,15+,18+/m0/s1", "name": "Amaryllisine", "names": [ "Amaryllisine" ] }, { "compound_id": "C08517", "inchi": "InChI=1S/C18H21NO5/c1-21-10-3-4-18-12-6-13-17(24-9-23-13)16(22-2)11(12)7-19(8-15(18)20)14(18)5-10/h3-4,6,10,14-15,20H,5,7-9H2,1-2H3/t10-,14?,15+,18+/m0/s1", "name": "Ambelline", "names": [ "(3alpha,11S)-1,2-Didehydro-3,7-dimethoxycrinan-11-ol", "Ambelline" ] }, { "compound_id": "C08518", "inchi": "InChI=1S/C19H25NO3/c1-20(12-11-15-5-8-17(21-2)9-6-15)14-16-7-10-18(22-3)19(13-16)23-4/h5-10,13H,11-12,14H2,1-4H3", "name": "Belladine", "names": [ "Belladine" ] }, { "compound_id": "C08519", "inchi": "InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12-,13-,14+/m0/s1", "name": "Brunsvigine", "names": [ "(-)-Brunsvigine", "3alpha-Pancracine", "Brunsvigine" ] }, { "compound_id": "C08520", "inchi": "InChI=1S/C18H19NO6/c1-19-4-3-8-5-10(20)15-12(14(8)19)9-6-11-16(24-7-23-11)17(22-2)13(9)18(21)25-15/h5-6,10,12,14-15,20H,3-4,7H2,1-2H3/t10-,12-,14+,15+/m0/s1", "name": "Candimine", "names": [ "Candimine" ] }, { "compound_id": "C08521", "inchi": "InChI=1S/C16H17NO3/c18-12-2-1-9-3-4-17-7-10-5-13-14(20-8-19-13)6-11(10)15(12)16(9)17/h1,5-6,12,15-16,18H,2-4,7-8H2/t12-,15-,16-/m1/s1", "name": "Caranine", "names": [ "Caranine" ] }, { "compound_id": "C08522", "inchi": "InChI=1S/C19H22N2O3/c22-14-8-21-7-11-5-15-16(24-9-23-15)6-12(11)17-18-10(2-1-3-20-18)4-13(14)19(17)21/h4-6,10,14,17-20,22H,1-3,7-9H2/t10-,14?,17+,18-,19+/m0/s1", "name": "Caribine", "names": [ "Caribine" ] }, { "compound_id": "C08523", "inchi": "InChI=1S/C17H21NO4/c1-22-14-5-10-7-18-3-2-9-4-11(8-19)17(21)15(16(9)18)12(10)6-13(14)20/h4-6,11,15-17,19-21H,2-3,7-8H2,1H3/t11-,15+,16-,17-/m1/s1", "name": "Carinatine", "names": [ "Carinatine" ] }, { "compound_id": "C08524", "inchi": "InChI=1S/C18H21NO6/c1-21-10-4-12-18(17-16(10)25-17)9-3-11-15(24-7-23-11)14(22-2)8(9)5-19(12)6-13(18)20/h3,10,12-13,16-17,20H,4-7H2,1-2H3/t10-,12?,13-,16+,17?,18+/m1/s1", "name": "Cavinine", "names": [ "Cavinine" ] }, { "compound_id": "C08525", "inchi": "InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15?,16-,17-/m0/s1", "name": "Crinamine", "names": [ "(3alpha,5alpha,11R,13beta,19alpha)-1, 2-Didehydro-3-methoxycrinan-11-ol", "Crinamine" ] }, { "compound_id": "C08526", "inchi": "InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1", "name": "Galanthamine", "names": [ "Galantamine", "Galanthamine" ] }, { "compound_id": "C08527", "inchi": "InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15?,16+,17+/m1/s1", "name": "Haemanthamine", "names": [ "(+)-Haemanthamine", "(3beta,5alpha,11R,13beta,19alpha)-1,2-Didehydro-3-methoxycrinan-11-ol", "Haemanthamine", "Hemanthamine" ] }, { "compound_id": "C08528", "inchi": "InChI=1S/C17H17NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h4-6,11,14-16,19H,2-3,7H2,1H3/t11-,14-,15+,16+/m0/s1", "name": "Hippeastrine", "names": [ "Hippeastrine" ] }, { "compound_id": "C08529", "inchi": "InChI=1S/C20H23NO12/c22-3-9-13(24)16(27)17(28)20(33-9)32-7-2-6-5-1-8-18(31-4-30-8)14(25)10(5)19(29)21-11(6)15(26)12(7)23/h1-2,7,9,11-13,15-17,20,22-28H,3-4H2,(H,21,29)/t7?,9-,11-,12-,13-,15+,16+,17-,20?/m1/s1", "name": "Kalbreclasine", "names": [ "Kalbreclasine" ] }, { "compound_id": "C08530", "inchi": "InChI=1S/C18H23NO4/c1-19-7-6-10-4-5-13-16(17(10)19)11-8-14(21-2)15(22-3)9-12(11)18(20)23-13/h4,8-9,13,16-18,20H,5-7H2,1-3H3/t13-,16-,17-,18+/m1/s1", "name": "Lycorenine", "names": [ "Lycorenine" ] }, { "compound_id": "C08531", "inchi": "InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h1-3,8,11-13,16-18H,4H2,(H,15,19)/t8-,11+,12+,13-/m0/s1", "name": "Lycoricidine", "names": [ "Lycoricidine" ] }, { "compound_id": "C08532", "inchi": "InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1", "name": "Lycorine", "names": [ "Lycorine" ] }, { "compound_id": "C08533", "inchi": "InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1", "name": "Narciclasine", "names": [ "Narciclasine" ] }, { "compound_id": "C08534", "inchi": "InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1", "name": "Narwedine", "names": [ "(-)-Narwedine", "Galanthaminone", "Narwedine" ] }, { "compound_id": "C08535", "inchi": "InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1", "name": "Pancratistatin", "names": [ "Pancratistatin" ] }, { "compound_id": "C08536", "inchi": "InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17-,18+/m1/s1", "name": "Pretazettine", "names": [ "Pretazettine" ] }, { "compound_id": "C08537", "inchi": "InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)/t12-,14-,17+,18+,19-,20-,21-,22+,23-,24?,29?,30+/m0/s1", "name": "Amaranthin", "names": [ "Amaranthin" ] }, { "compound_id": "C08538", "inchi": "InChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1-/t7-/m0/s1", "name": "Betalamic acid", "names": [ "Betalamic acid" ] }, { "compound_id": "C08539", "inchi": "InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H5,21,22,23,24,25,26,27,28)/t11-,13-/m0/s1", "name": "Betanidin", "names": [ "2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R))-", "Betanidin" ] }, { "compound_id": "C08540", "inchi": "InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1", "name": "Betanin", "names": [ "Betanin" ] }, { "compound_id": "C08541", "inchi": "InChI=1S/C30H36N2O18/c33-8-18-20(36)22(38)24(40)29(48-18)50-25-23(39)21(37)19(9-34)49-30(25)47-17-6-11-5-15(28(45)46)32(14(11)7-16(17)35)2-1-10-3-12(26(41)42)31-13(4-10)27(43)44/h1-3,6-7,13,15,18-25,29-30,33-34,36-40H,4-5,8-9H2,(H4,35,41,42,43,44,45,46)/t13-,15-,18+,19+,20+,21+,22-,23-,24+,25?,29?,30+/m0/s1", "name": "Bougainvillein-r-I", "names": [ "Bougainvillein-r-I", "Bougainvillein-v" ] }, { "compound_id": "C08542", "inchi": "InChI=1S/C40H42N2O22/c1-59-24-10-15(2-4-22(24)44)3-5-27(46)62-33-31(50)30(49)32(38(57)58)63-40(33)64-34-29(48)28(47)26(14-43)61-39(34)60-25-12-17-11-21(37(55)56)42(20(17)13-23(25)45)7-6-16-8-18(35(51)52)41-19(9-16)36(53)54/h2-8,10,12-13,19,21,26,28-34,39-40,43,47-50H,9,11,14H2,1H3,(H6,44,45,46,51,52,53,54,55,56,57,58)/t19-,21-,26+,28+,29-,30-,31-,32-,33+,34?,39+,40?/m0/s1", "name": "Celosianin II", "names": [ "Celosianin II" ] }, { "compound_id": "C08543", "inchi": "InChI=1S/C18H18N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1", "name": "Dopaxanthin", "names": [ "Dopaxanthin" ] }, { "compound_id": "C08544", "inchi": "InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1", "name": "Gomphrenin-I", "names": [ "Gomphrenin-I" ] }, { "compound_id": "C08545", "inchi": "InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32-,33+,34+,35+,36+/m0/s1", "name": "Squamocin", "names": [ "Squamocin" ] }, { "compound_id": "C08546", "inchi": "InChI=1S/C10H16O2/c1-5-8(3)7-12-10(11)9(4)6-2/h5-6H,7H2,1-4H3/b8-5+,9-6+", "name": "Tiglyl tiglate", "names": [ "(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester", "Tiglyl tiglate" ] }, { "compound_id": "C08547", "inchi": "InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-13-20-17(12-23(25)38)11-21(33(47)48)36(20)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1", "name": "Gomphrenin-V", "names": [ "Gomphrenin-V" ] }, { "compound_id": "C08548", "inchi": "InChI=1S/C14H18N2O7/c17-5-1-2-9(12(18)19)15-4-3-8-6-10(13(20)21)16-11(7-8)14(22)23/h3-4,6,9,11,16-17H,1-2,5,7H2,(H,18,19)(H,20,21)(H,22,23)/b8-3-,15-4-/t9-,11+/m0/s1", "name": "Humilixanthin", "names": [ "Humilixanthin" ] }, { "compound_id": "C08549", "inchi": "InChI=1S/C14H16N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,5-6,10-11H,1-2,4,7H2,(H3,17,18,19,20,21,22)/t10-,11-/m0/s1", "name": "Indicaxanthin", "names": [ "Indicaxanthin" ] }, { "compound_id": "C08550", "inchi": "InChI=1S/C36H42N2O23/c1-36(56,9-21(40)41)10-22(42)57-11-20-23(43)25(45)29(61-34-27(47)24(44)26(46)28(60-34)33(54)55)35(59-20)58-19-7-13-6-17(32(52)53)38(16(13)8-18(19)39)3-2-12-4-14(30(48)49)37-15(5-12)31(50)51/h2-4,7-8,15,17,20,23-29,34-35,43-47,56H,5-6,9-11H2,1H3,(H6,39,40,41,48,49,50,51,52,53,54,55)/t15-,17-,20+,23+,24-,25-,26-,27+,28-,29?,34?,35+,36+/m0/s1", "name": "Iresinin I", "names": [ "Iresinin I" ] }, { "compound_id": "C08551", "inchi": "InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14+,17-,18-,19+,20-,24-/m1/s1", "name": "Isobetanin", "names": [ "Isobetanin" ] }, { "compound_id": "C08552", "inchi": "InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-12-17-11-21(33(47)48)36(20(17)13-23(25)38)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1", "name": "Lampranthin II", "names": [ "Lampranthin II" ] }, { "compound_id": "C08553", "inchi": "InChI=1S/C33H60O8/c1-3-4-8-15-28(36)23-29(37)18-11-6-12-19-32(40)25-33(41)21-14-7-13-20-31(39)24-30(38)17-10-5-9-16-27(35)22-26(2)34/h27-28,31-32,35-36,39-40H,3-25H2,1-2H3/t27-,28-,31-,32-/m1/s1", "name": "PM-Toxin A", "names": [ "(4R,12R,20R,28R)-4,12,20,28-Tetrahydroxy-2,10,18,26-tritriacontanetetrone", "PM-Toxin A" ] }, { "compound_id": "C08554", "inchi": "InChI=1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2-,15-4-", "name": "Miraxanthin-I", "names": [ "Miraxanthin-I" ] }, { "compound_id": "C08555", "inchi": "InChI=1S/C13H14N2O8/c16-10(17)5-7(11(18)19)14-2-1-6-3-8(12(20)21)15-9(4-6)13(22)23/h1-3,7,9,15H,4-5H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)/b6-1-,14-2-", "name": "Miraxanthin-II", "names": [ "Miraxanthin-II" ] }, { "compound_id": "C08556", "inchi": "InChI=1S/C17H18N2O5/c20-13-3-1-11(2-4-13)5-7-18-8-6-12-9-14(16(21)22)19-15(10-12)17(23)24/h1-4,6,8-9,15,19-20H,5,7,10H2,(H,21,22)(H,23,24)/b12-6-,18-8-", "name": "Miraxanthin-III", "names": [ "Miraxanthin-III" ] }, { "compound_id": "C08557", "inchi": "InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6-", "name": "Miraxanthin-V", "names": [ "Miraxanthin-V" ] }, { "compound_id": "C08558", "inchi": "InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13-,15-,16+,17-,18-/m1/s1", "name": "Tuberonic acid glucoside", "names": [ "Tuberonic acid glucoside" ] }, { "compound_id": "C08559", "inchi": "InChI=1S/C14H13N3O8/c18-10-5-9(25-17-10)11(14(23)24)15-2-1-6-3-7(12(19)20)16-8(4-6)13(21)22/h1-3,5,8,11,16H,4H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b6-1-,15-2-/t8-,11-/m0/s1", "name": "Musca-aurin-I", "names": [ "Musca-aurin-I", "Muscaaurin I" ] }, { "compound_id": "C08560", "inchi": "InChI=1S/C18H16N2O10/c21-14-7-9(6-13(30-14)18(28)29)5-10(15(22)23)19-2-1-8-3-11(16(24)25)20-12(4-8)17(26)27/h1-3,6-7,10,12,20H,4-5H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/b8-1-,19-2-/t10-,12-/m0/s1", "name": "Musca-aurin-II", "names": [ "Musca-aurin-II", "Muscaaurin II" ] }, { "compound_id": "C08561", "inchi": "InChI=1S/C11H18O8/c1-5(2-3-12)10(17)19-11-9(16)8(15)7(14)6(4-13)18-11/h6-9,11-16H,1-4H2/t6-,7-,8+,9-,11+/m1/s1", "name": "Tuliposide A", "names": [ "Tuliposide A" ] }, { "compound_id": "C08562", "inchi": "InChI=1S/C15H16N4O6/c16-10(13(20)21)5-9-6-19(7-17-9)2-1-8-3-11(14(22)23)18-12(4-8)15(24)25/h1-3,6-7,10,12H,4-5,16H2,(H3,20,21,22,23,24,25)/t10-,12-/m0/s1", "name": "Musca-aurin-VII", "names": [ "Musca-aurin-VII", "Muscaaurin VII" ] }, { "compound_id": "C08563", "inchi": "InChI=1S/C18H14N2O10/c21-14(22)9-3-7(4-10(19-9)15(23)24)1-2-20-11(16(25)26)5-8-6-12(17(27)28)30-18(29)13(8)20/h1-3,6,10-11H,4-5H2,(H4,21,22,23,24,25,26,27,28)/t10-,11-/m0/s1", "name": "Muscapurpurin", "names": [ "Muscapurpurin" ] }, { "compound_id": "C08564", "inchi": "InChI=1S/C14H16N2O7/c17-8-5-11(14(22)23)16(6-8)2-1-7-3-9(12(18)19)15-10(4-7)13(20)21/h1-3,8,10-11,17H,4-6H2,(H3,18,19,20,21,22,23)/t8-,10+,11+/m1/s1", "name": "Portulacaxanthin I", "names": [ "Portulacaxanthin I" ] }, { "compound_id": "C08565", "inchi": "InChI=1S/C18H18N2O7/c21-12-3-1-10(2-4-12)7-13(16(22)23)19-6-5-11-8-14(17(24)25)20-15(9-11)18(26)27/h1-6,8,13,15,20-21H,7,9H2,(H,22,23)(H,24,25)(H,26,27)/b11-5-,19-6-/t13-,15-/m0/s1", "name": "Portulacaxanthin II", "names": [ "Portulacaxanthin II" ] }, { "compound_id": "C08566", "inchi": "InChI=1S/C11H12N2O6/c14-9(15)5-12-2-1-6-3-7(10(16)17)13-8(4-6)11(18)19/h1-3,8,13H,4-5H2,(H,14,15)(H,16,17)(H,18,19)/b6-1-,12-2-/t8-/m0/s1", "name": "Portulacaxanthin III", "names": [ "Portulacaxanthin III" ] }, { "compound_id": "C08567", "inchi": "InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)/t12-,14+,17-,18-,19+,20-,24-/m1/s1", "name": "Prebetanin", "names": [ "Prebetanin" ] }, { "compound_id": "C08568", "inchi": "InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,16-4-/t8-,10-/m0/s1", "name": "Vulgaxanthin-I", "names": [ "Vulgaxanthin-I" ] }, { "compound_id": "C08569", "inchi": "InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,15-4-/t8-,10-/m0/s1", "name": "Vulgaxanthin-II", "names": [ "Vulgaxanthin-II" ] }, { "compound_id": "C08570", "inchi": "InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5?,6-,7-,8+,9-,11+/m1/s1", "name": "Tuliposide B", "names": [ "Tuliposide B" ] }, { "compound_id": "C08571", "inchi": "InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3/t10-/m0/s1", "name": "gamma-Undecalactone", "names": [ "2(3H)-Furanone, 5-heptyldihydro-", "gamma-Undecalactone" ] }, { "compound_id": "C08572", "inchi": "InChI=1S/C39H68O7/c1-4-5-6-7-8-15-18-21-24-35(44-31(3)40)36-27-28-38(46-36)37-26-25-34(45-37)33(41)23-20-17-14-12-10-9-11-13-16-19-22-32-29-30(2)43-39(32)42/h29-30,33-38,41H,4-28H2,1-3H3/t30-,33+,34+,35-,36+,37+,38+/m0/s1", "name": "Uvaricin", "names": [ "Uvaricin" ] }, { "compound_id": "C08573", "inchi": "InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+", "name": "Abyssinone VI", "names": [ "Abyssinone VI" ] }, { "compound_id": "C08574", "inchi": "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-8H,(H2-,16,17,18)/p+1", "name": "Apigeninidin", "names": [ "Apigeninidin" ] }, { "compound_id": "C08575", "inchi": "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-11(18)5-9-12(21-15)6-10(17)14(20)13(9)19/h1-6H,(H4-,16,17,18,19,20)/p+1", "name": "Aurantinidin", "names": [ "Aurantinidin" ] }, { "compound_id": "C08576", "inchi": "InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-", "name": "Aureusidin", "names": [ "Aureusidin" ] }, { "compound_id": "C08577", "inchi": "InChI=1S/C15H10O7/c16-7-4-8(17)13-11(5-7)22-12(15(13)21)3-6-1-9(18)14(20)10(19)2-6/h1-5,16-20H/b12-3-", "name": "Bracteatin", "names": [ "Bracteatin" ] }, { "compound_id": "C08578", "inchi": "InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+", "name": "Butein", "names": [ "Butein" ] }, { "compound_id": "C08579", "inchi": "InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1", "name": "Antheraxanthin", "names": [ "Antheraxanthin" ] }, { "compound_id": "C08580", "inchi": "InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1", "name": "Astaxanthin", "names": [ "Astaxanthin" ] }, { "compound_id": "C08581", "inchi": "InChI=1S/C27H38O4/c1-21(11-7-8-12-22(2)15-16-24(28)29)13-9-14-23(3)17-20-27(31)25(4,5)18-10-19-26(27,6)30/h7-9,11-17,20,30-31H,10,18-19H2,1-6H3,(H,28,29)/b8-7+,13-9+,16-15+,20-17+,21-11+,22-12+,23-14+/t26-,27-/m1/s1", "name": "Azafrin", "names": [ "Azafrin" ] }, { "compound_id": "C08582", "inchi": "InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-", "name": "Bixin", "names": [ "Bixin", "Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate" ] }, { "compound_id": "C08583", "inchi": "InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+", "name": "Canthaxanthin", "names": [ "Canthaxanthin" ] }, { "compound_id": "C08584", "inchi": "InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1", "name": "Capsanthin", "names": [ "Capsanthin" ] }, { "compound_id": "C08585", "inchi": "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1", "name": "Capsorubin", "names": [ "Capsorubin" ] }, { "compound_id": "C08586", "inchi": "InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1", "name": "delta-Carotene", "names": [ "delta-Carotene" ] }, { "compound_id": "C08587", "inchi": "InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-22,24-26,30H,15-16,23,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+", "name": "beta-Carotene 5,6-epoxide", "names": [ "5,6-Epoxy-beta,beta-carotene", "beta-Carotene 5,6-epoxide" ] }, { "compound_id": "C08588", "inchi": "InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+", "name": "Crocetin", "names": [ "8,8'-diapocarotene-8,8'-dioic acid", "Crocetin" ] }, { "compound_id": "C08589", "inchi": "InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1", "name": "Crocin", "names": [ "Crocin" ] }, { "compound_id": "C08590", "inchi": "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1", "name": "Zeinoxanthin", "names": [ "(3R,6'R)-beta,epsilon-Caroten-3-ol", "3-Hydroxy-alpha-carotene", "Zeinoxanthin" ] }, { "compound_id": "C08591", "inchi": "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1", "name": "beta-Cryptoxanthin", "names": [ "beta-Cryptoxanthin" ] }, { "compound_id": "C08592", "inchi": "InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+", "name": "Echinenone", "names": [ "Echinenone" ] }, { "compound_id": "C08593", "inchi": "InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-36,41-42H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-/t35-,36-/m1/s1", "name": "Eschscholtzxanthin", "names": [ "Eschscholtzxanthin" ] }, { "compound_id": "C08594", "inchi": "InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,35-,36+,40+/m0/s1", "name": "Flavoxanthin", "names": [ "Flavoxanthin" ] }, { "compound_id": "C08595", "inchi": "InChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-11(13)8-12(20)18(25-14)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1", "name": "Capensinidin", "names": [ "Capensinidin" ] }, { "compound_id": "C08596", "inchi": "InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,40+,41+,42-/m0/s1", "name": "Fucoxanthin", "names": [ "Fucoxanthin" ] }, { "compound_id": "C08597", "inchi": "InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-55,65-67H,13-38,49-50,56-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66+,67-/m0/s1", "name": "Helenien", "names": [ "Helenien", "Xantofyl palmitate" ] }, { "compound_id": "C08598", "inchi": "InChI=1S/C21H20O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,26,28-30H,8H2/b6-3+/t14-,17-,18+,19-,21+/m1/s1", "name": "Carthamone", "names": [ "Carthamone" ] }, { "compound_id": "C08599", "inchi": "InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m0/s1", "name": "Lactucaxanthin", "names": [ "Lactucaxanthin" ] }, { "compound_id": "C08600", "inchi": "InChI=1S/C25H22O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-9,19,23,25-29H,10-11H2,1H3/t19-,23+,25+/m0/s1", "name": "Silandrin", "names": [ "Silandrin" ] }, { "compound_id": "C08601", "inchi": "InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1", "name": "Lutein", "names": [ "Lutein", "Xanthophyll" ] }, { "compound_id": "C08602", "inchi": "InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40-/m0/s1", "name": "Lutein 5,6-epoxide", "names": [ "Lutein 5,6-epoxide" ] }, { "compound_id": "C08603", "inchi": "InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+", "name": "Lycoxanthin", "names": [ "Lycoxanthin" ] }, { "compound_id": "C08604", "inchi": "InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1", "name": "Chrysanthemin", "names": [ "Chrysanthemin", "Cyanidin 3-O-beta-D-glucoside", "Cyanidin 3-O-glucoside" ] }, { "compound_id": "C08605", "inchi": "InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,24-25,29,36H,15-16,23,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+", "name": "Citroxanthin", "names": [ "Citroxanthin", "Mutatochrome" ] }, { "compound_id": "C08606", "inchi": "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1", "name": "Neoxanthin", "names": [ "Neoxanthin", "all-trans-Neoxanthin" ] }, { "compound_id": "C08607", "inchi": "InChI=1S/C35H46O2/c1-27(17-11-19-29(3)21-13-22-32(6)34(36)37)15-9-10-16-28(2)18-12-20-30(4)24-25-33-31(5)23-14-26-35(33,7)8/h9-13,15-22,24-25H,14,23,26H2,1-8H3,(H,36,37)/b10-9+,17-11+,18-12+,21-13+,25-24+,27-15+,28-16+,29-19+,30-20+,32-22+", "name": "Neurosporaxanthin", "names": [ "Neurosporaxanthin", "all-trans-Neurosporaxanthin" ] }, { "compound_id": "C08608", "inchi": "InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+", "name": "Norbixin", "names": [ "Norbixin" ] }, { "compound_id": "C08609", "inchi": "InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66-/m1/s1", "name": "Physalien", "names": [ "Physalien", "Zeaxanthin dipalmitate" ] }, { "compound_id": "C08610", "inchi": "InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-", "name": "Rhodoxanthin", "names": [ "Rhodoxanthin" ] }, { "compound_id": "C08611", "inchi": "InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1", "name": "Rubixanthin", "names": [ "Rubixanthin" ] }, { "compound_id": "C08612", "inchi": "InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1/t16-,19-,20-,21+,22-,23+,24+,25+,26-,27-,29?,30-,31?,32-/m1/s1", "name": "Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)", "names": [ "Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)" ] }, { "compound_id": "C08613", "inchi": "InChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+", "name": "Torulene", "names": [ "Torulene" ] }, { "compound_id": "C08614", "inchi": "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1", "name": "Violaxanthin", "names": [ "Violaxanthin", "all-trans-Violaxanthin" ] }, { "compound_id": "C08615", "inchi": "InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1", "name": "alpha-Amyrin", "names": [ "alpha-Amyrin" ] }, { "compound_id": "C08616", "inchi": "InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1", "name": "beta-Amyrin", "names": [ "beta-Amyrenol", "beta-Amyrin" ] }, { "compound_id": "C08617", "inchi": "InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1", "name": "Asiatic acid", "names": [ "Asiatic acid" ] }, { "compound_id": "C08618", "inchi": "InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1", "name": "Betulin", "names": [ "Betulin" ] }, { "compound_id": "C08619", "inchi": "InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1", "name": "Betulinic acid", "names": [ "Betulinic acid" ] }, { "compound_id": "C08620", "inchi": "InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1", "name": "Cyanidin 3-O-rutinoside", "names": [ "Cyanidin 3-O-rhamnosylglucoside", "Cyanidin 3-O-rutinoside" ] }, { "compound_id": "C08621", "inchi": "InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30-/m1/s1", "name": "Dammarenediol-I", "names": [ "Dammarenediol-I" ] }, { "compound_id": "C08622", "inchi": "InChI=1S/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,27+,28-,29-,30+/m1/s1", "name": "Dipterocarpol", "names": [ "Dipterocarpol" ] }, { "compound_id": "C08623", "inchi": "InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1", "name": "alpha-Elemolic acid", "names": [ "alpha-Elemolic acid" ] }, { "compound_id": "C08624", "inchi": "InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1", "name": "Euphol", "names": [ "Euphol" ] }, { "compound_id": "C08625", "inchi": "InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h14,20-21,23-25H,9-13,15-19H2,1-8H3/t21-,23+,24+,25-,27-,28-,29-,30+/m1/s1", "name": "Fernene", "names": [ "Fernene" ] }, { "compound_id": "C08626", "inchi": "InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1", "name": "Friedelin", "names": [ "Friedelin" ] }, { "compound_id": "C08627", "inchi": "InChI=1S/C32H54O2/c1-21(20-34-22(2)33)23-12-17-29(5)24(23)13-18-31(7)26(29)10-11-27-30(6)16-9-15-28(3,4)25(30)14-19-32(27,31)8/h21,23-27H,9-20H2,1-8H3/t21-,23-,24?,25+,26-,27-,29+,30+,31-,32-/m1/s1", "name": "Hopane-29-acetate", "names": [ "Hopane-29-acetate" ] }, { "compound_id": "C08628", "inchi": "InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1", "name": "Lupeol", "names": [ "Lupeol" ] }, { "compound_id": "C08629", "inchi": "InChI=1S/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)49-15-5-11(37)4-14-12(15)6-17(51-33-29(47)26(44)23(41)20(9-36)54-33)30(48-14)10-1-2-13(38)16(3-10)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-36,39-47H,7-9H2,(H-,37,38)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1", "name": "Cyanidin 3,5,3'-tri-O-glucoside", "names": [ "Cyanidin 3,5,3'-tri-O-glucoside" ] }, { "compound_id": "C08630", "inchi": "InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1", "name": "Lupeol acetate", "names": [ "3-Acetyllupeol", "Lupeol acetate" ] }, { "compound_id": "C08631", "inchi": "InChI=1S/C29H48O3/c1-18(31)19-9-14-29(17-30)16-15-27(5)20(24(19)29)7-8-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,27)6/h19-24,30,32H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,26-,27+,28+,29+/m0/s1", "name": "Messagenin", "names": [ "Messagenin" ] }, { "compound_id": "C08632", "inchi": "InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21-,22+,23-,24+,25+,26+,29-,32-,33+,34+,35-/m0/s1", "name": "Papyriferic acid", "names": [ "Papyriferic acid" ] }, { "compound_id": "C08633", "inchi": "InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1", "name": "Pristimerin", "names": [ "Pristimerin" ] }, { "compound_id": "C08634", "inchi": "InChI=1S/C30H50O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(34-17-18)27(3,4)33/h8,18-20,22-25,31-33H,9-17H2,1-7H3/t18-,19+,20+,22-,23+,24-,25-,28-,29+,30-/m1/s1", "name": "Sapelin A", "names": [ "Sapelin A" ] }, { "compound_id": "C08635", "inchi": "InChI=1S/C36H46O14/c1-12-10-19-35(8,36(9,44)32(43)50-19)24-21(12)34(7)22(28(24)45-13(2)37)20-23(29(46-14(3)38)31(34)48-16(5)40)33(6)17(25(41)26(20)42)11-18-27(49-18)30(33)47-15(4)39/h10,12,17-18,20-24,26-31,42,44H,11H2,1-9H3/t12-,17-,18+,20+,21+,22-,23-,24+,26-,27+,28-,29+,30+,31+,33+,34-,35+,36-/m1/s1", "name": "Taccalonolide A", "names": [ "Taccalonolide A" ] }, { "compound_id": "C08636", "inchi": "InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1", "name": "Taraxasterol", "names": [ "Taraxasterol" ] }, { "compound_id": "C08637", "inchi": "InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1", "name": "Taraxerol", "names": [ "Taraxerol" ] }, { "compound_id": "C08638", "inchi": "InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27+,28-/m1/s1", "name": "Tingenone", "names": [ "Tingenone" ] }, { "compound_id": "C08639", "inchi": "InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1", "name": "Cyanin", "names": [ "Cyanidin 3,5-O-diglucoside", "Cyanidin 3,5-di-O-glucoside", "Cyanin" ] }, { "compound_id": "C08640", "inchi": "InChI=1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-1-9(2-15(20(14)39)51-32-28(47)25(44)22(41)18(7-35)54-32)30-16(5-11-12(38)3-10(37)4-13(11)49-30)52-33-29(48)26(45)23(42)19(8-36)55-33/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/p+1/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1", "name": "Delphinidin 3,3',5'-tri-O-glucoside", "names": [ "Delphinidin 3,3',5'-tri-O-glucoside" ] }, { "compound_id": "C08641", "inchi": "InChI=1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-/m1/s1", "name": "Gentiodelphin", "names": [ "Gentiodelphin" ] }, { "compound_id": "C08642", "inchi": "InChI=1S/C79H90O45/c1-108-42-19-32(8-11-35(42)86)70-45(22-34-40(110-70)20-33(85)21-41(34)112-74-67(105)61(99)55(93)46(23-80)116-74)115-78-73(124-79-72(65(103)59(97)50(27-84)120-79)123-54(92)15-7-31-3-10-37(88)44(18-31)114-76-69(107)63(101)57(95)48(25-82)118-76)66(104)60(98)51(121-78)28-109-52(90)13-5-29-4-12-39(38(89)16-29)111-77-71(64(102)58(96)49(26-83)119-77)122-53(91)14-6-30-2-9-36(87)43(17-30)113-75-68(106)62(100)56(94)47(24-81)117-75/h2-22,46-51,55-69,71-84,93-107H,23-28H2,1H3,(H4-,85,86,87,88,89,91,92)/p+1/b13-5+/t46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67-,68-,69-,71-,72-,73?,74-,75-,76-,77-,78-,79?/m1/s1", "name": "Heavenly blue anthocyanin", "names": [ "Heavenly blue anthocyanin" ] }, { "compound_id": "C08643", "inchi": "InChI=1S/C18H16O7/c1-22-10-6-12(19)11-8-13(20)18(25-14(11)7-10)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1", "name": "Hirsutidin", "names": [ "Hirsutidin" ] }, { "compound_id": "C08644", "inchi": "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-", "name": "Hispidol", "names": [ "Hispidol" ] }, { "compound_id": "C08646", "inchi": "InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)15-11(19)4-7-12(22-15)5-10(18)14(21)13(7)20/h1-5H,(H5-,16,17,18,19,20,21)/p+1", "name": "6-Hydroxycyanidin", "names": [ "6-Hydroxycyanidin" ] }, { "compound_id": "C08647", "inchi": "InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1", "name": "Cyanidin 3-O-galactoside", "names": [ "Cyanidin 3-O-galactoside" ] }, { "compound_id": "C08648", "inchi": "InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+", "name": "Isobavachalcone", "names": [ "Isobavachalcone" ] }, { "compound_id": "C08649", "inchi": "InChI=1S/C27H32O15/c28-9-18-20(33)22(35)24(37)26(41-18)39-12-3-4-13(16(32)8-12)14(30)5-1-11-2-6-15(31)17(7-11)40-27-25(38)23(36)21(34)19(10-29)42-27/h1-8,18-29,31-38H,9-10H2/b5-1+/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1", "name": "Isobutrin", "names": [ "Isobutrin" ] }, { "compound_id": "C08650", "inchi": "InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+", "name": "Isoliquiritigenin", "names": [ "Isoliquiritigenin" ] }, { "compound_id": "C08651", "inchi": "InChI=1S/C16H12O6/c1-21-16-11(18)5-3-9-14(20)13(22-15(9)16)7-8-2-4-10(17)12(19)6-8/h2-7,17-19H,1H3/b13-7-", "name": "Leptosidin", "names": [ "Leptosidin" ] }, { "compound_id": "C08652", "inchi": "InChI=1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7H,(H3-,16,17,18,19)/p+1", "name": "Luteolinidin", "names": [ "Luteolinidin" ] }, { "compound_id": "C08653", "inchi": "InChI=1S/C39H38O22/c40-17-4-1-15(2-5-17)3-6-28(46)55-13-25-31(49)34(52)36(54)39(61-25)59-24-11-19-22(57-37(24)16-7-20(42)30(48)21(43)8-16)9-18(41)10-23(19)58-38-35(53)33(51)32(50)26(60-38)14-56-29(47)12-27(44)45/h1-11,25-26,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,48)/p+1/t25-,26-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1", "name": "Malonylawobanin", "names": [ "Malonylawobanin" ] }, { "compound_id": "C08654", "inchi": "InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18?,19-,20+,21-,22+,23+,24+,25-,26+,27?/m1/s1", "name": "Acetylbrowniine", "names": [ "Acetylbrowniine", "Browniine 14-acetate" ] }, { "compound_id": "C08655", "inchi": "InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20?,21?,22?,23-,24+,25-,26+,27-,28+,30+,31?,32+,33-,34+/m1/s1", "name": "Aconifine", "names": [ "Aconifine", "Aconitane-3,8,10,13,14,15-hexol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 8-acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-" ] }, { "compound_id": "C08656", "inchi": "InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3/t14-,15+,16-,17+,18+,19+,20-,21-,22+/m0/s1", "name": "Ajaconine", "names": [ "Ajaconine" ] }, { "compound_id": "C08657", "inchi": "InChI=1S/C35H44N2O10/c1-17-12-24(38)37(29(17)39)21-9-7-6-8-18(21)30(40)47-16-32-11-10-23(44-3)34-20-13-19-22(43-2)14-33(41,25(20)26(19)45-4)35(42,31(34)36-15-32)28(46-5)27(32)34/h6-9,15,17,19-20,22-23,25-28,31,41-42H,10-14,16H2,1-5H3/t17-,19+,20+,22-,23?,25+,26-,27+,28-,31-,32-,33+,34-,35?/m0/s1", "name": "Anhwiedelphinine", "names": [ "Anhwiedelphinine" ] }, { "compound_id": "C08658", "inchi": "InChI=1S/C31H43NO7/c1-8-15(3)26(35)38-22-20-17(5)10-29-13-19(34)31(37)28(6)11-18(33)12-30(31,25(21(20)29)32(7)14-28)24(29)23(22)39-27(36)16(4)9-2/h8-9,18-25,33-34,37H,5,10-14H2,1-4,6-7H3/b15-8+,16-9+/t18-,19-,20?,21+,22?,23+,24?,25+,28-,29-,30-,31-/m0/s1", "name": "Anopterine", "names": [ "Anopterine" ] }, { "compound_id": "C08659", "inchi": "InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22?,23-,24+,25-,26+,28+,29+,30-,31+,32?/m1/s1", "name": "Inuline", "names": [ "Anthranoyllycoctonine", "Inuline" ] }, { "compound_id": "C08660", "inchi": "InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15-,16+,17?,18+,19-,20-,21-,22-/m0/s1", "name": "Atisine", "names": [ "Atisine" ] }, { "compound_id": "C08661", "inchi": "InChI=1S/C36H51N3O10/c1-6-39-17-33(18-49-31(42)19-9-7-8-10-22(19)38-26(41)12-11-25(37)40)14-13-24(46-3)35-21-15-20-23(45-2)16-34(43,27(21)28(20)47-4)36(44,32(35)39)30(48-5)29(33)35/h7-10,20-21,23-24,27-30,32,43-44H,6,11-18H2,1-5H3,(H2,37,40)(H,38,41)/t20-,21-,23+,24?,27-,28+,29-,30?,32+,33+,34-,35+,36?/m1/s1", "name": "Avadharidine", "names": [ "Aconitane-7,8-diol, 4-(((2-((4-amino-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-1,6,14,16-tetramethoxy-, (1alpha,6beta,14alpha,16beta)-", "Avadharidine" ] }, { "compound_id": "C08662", "inchi": "InChI=1S/C36H46N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26,28-29,32,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24?,26+,28+,29-,32-,33-,34+,35-,36?/m0/s1", "name": "Barbinine", "names": [ "Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1,6,16-trimethoxy-, (1-alpha,4(S),6-beta,16-beta)-", "Barbinine" ] }, { "compound_id": "C08663", "inchi": "InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18-,19?,20?,21?,22-,23+,24-,25+,26-,27+,29+,30-,31+,32-,33+/m1/s1", "name": "Beiwutine", "names": [ "Beiwutine" ] }, { "compound_id": "C08664", "inchi": "InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24?,25+,26-,27?,28?,29-,30-,31-,33+,34+,35-,36+/m1/s1", "name": "Bikhaconitine", "names": [ "Bikhaconitine" ] }, { "compound_id": "C08665", "inchi": "InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16?,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1", "name": "Browniine", "names": [ "Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-", "Browniine" ] }, { "compound_id": "C08666", "inchi": "InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14?,15+,16-,17?,18-,19+,20-,21+,22+,23-/m1/s1", "name": "Cammaconine", "names": [ "Cammaconine", "Columbiananine" ] }, { "compound_id": "C08667", "inchi": "InChI=1S/C21H33NO4/c1-3-22-10-18(2)6-5-14(23)21-12-8-11-4-7-19(25,15(12)16(11)24)20(26,17(21)22)9-13(18)21/h11-17,23-26H,3-10H2,1-2H3/t11-,12+,13+,14?,15+,16-,17+,18-,19+,20?,21+/m0/s1", "name": "Cardiopetalidine", "names": [ "Cardiopetalidine" ] }, { "compound_id": "C08668", "inchi": "InChI=1S/C37H52N2O11/c1-7-39-18-34(19-50-32(42)20-10-8-9-11-23(20)38-26(40)12-13-27(41)47-4)15-14-25(46-3)36-22-16-21-24(45-2)17-35(43,28(22)29(21)48-5)37(44,33(36)39)31(49-6)30(34)36/h8-11,21-22,24-25,28-31,33,43-44H,7,12-19H2,1-6H3,(H,38,40)/t21-,22-,24+,25?,28-,29+,30-,31+,33+,34+,35-,36+,37?/m1/s1", "name": "Septentriodine", "names": [ "Cashmiradelphine", "Septentriodine" ] }, { "compound_id": "C08669", "inchi": "InChI=1S/C24H41NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17-20,22,26-27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,18-,19-,20-,22-,24+/m0/s1", "name": "Cassaidine", "names": [ "Cassaidine" ] }, { "compound_id": "C08670", "inchi": "InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,19-,20-,22-,24+/m0/s1", "name": "Cassaine", "names": [ "Cassaine" ] }, { "compound_id": "C08671", "inchi": "InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16?,17+,18-,19?,20-,21+,22-,23+,24?,25-/m1/s1", "name": "Condelphine", "names": [ "Condelphine" ] }, { "compound_id": "C08672", "inchi": "InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)19-23(13-20)10-11-25-19/h14-17,19H,3-13H2,1-2H3/t14-,15?,16-,17-,19?,20+,21-,22+/m1/s1", "name": "Cuauchichicine", "names": [ "Cuauchichicine", "Veatchine,15-deoxy-16,17-dihydro-15-oxo-, (16-beta,20S)-" ] }, { "compound_id": "C08673", "inchi": "InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24?,26+,27-,28+,29-,32-,33-,34+,35-,36?/m0/s1", "name": "14-Deacetylnudicauline", "names": [ "14-Deacetylnudicauline" ] }, { "compound_id": "C08674", "inchi": "InChI=1S/C38H54N2O11/c1-8-40-18-35(19-51-33(43)21-11-9-10-12-24(21)39-32(42)20(2)15-27(41)48-5)14-13-26(47-4)37-23-16-22-25(46-3)17-36(44,28(23)29(22)49-6)38(45,34(37)40)31(50-7)30(35)37/h9-12,20,22-23,25-26,28-31,34,44-45H,8,13-19H2,1-7H3,(H,39,42)/t20?,22-,23-,25+,26?,28-,29+,30-,31+,34+,35+,36-,37+,38?/m1/s1", "name": "Delavaine A", "names": [ "Delavaine A" ] }, { "compound_id": "C08675", "inchi": "InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17?,18-,19+,20-,21+,22+,23+,24-,25+,26?/m1/s1", "name": "Delcorine", "names": [ "Delcorine" ] }, { "compound_id": "C08676", "inchi": "InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15?,16-,17+,18-,19+,20+,21+,22-,23+,24?/m1/s1", "name": "Delcosine", "names": [ "Delcosine" ] }, { "compound_id": "C08677", "inchi": "InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21?,22+,23-,24?,25?,26-,27-,28-,30+,31+,32-,33+/m1/s1", "name": "Delphinine", "names": [ "Delphinine" ] }, { "compound_id": "C08678", "inchi": "InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16?,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1", "name": "Delsoline", "names": [ "Delsoline" ] }, { "compound_id": "C08679", "inchi": "InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17?,18+,19+,20-,21+,22+,23+,24+,25-,26-,27?/m1/s1", "name": "Deltaline", "names": [ "Aconitane-6,10-diol, 20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 1,14,16-trimethoxy-, 6-acetate, (1-alpha,6-beta,14-alpha,16-beta)-", "Deltaline" ] }, { "compound_id": "C08680", "inchi": "InChI=1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13-,14+,15-,16+,17-,18-,19-,20+,21+,22?/m1/s1", "name": "Denudatine", "names": [ "Denudatine" ] }, { "compound_id": "C08681", "inchi": "InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20?,22-,23-,25+,26?,28-,29+,30-,31+,34+,35+,36-,37+,38?/m1/s1", "name": "Elatine", "names": [ "Aconitane-4-methanol, 20-ethyl-7,8-(methylenebis(oxy))-, 1,6,14,16-tetramethoxy-2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate(ester), (1-alpha,6-beta,14-alpha,16-beta)-", "Elatine" ] }, { "compound_id": "C08682", "inchi": "InChI=1S/C25H39NO6/c1-15-16(14-18(27)32-13-12-26(4)5)8-9-17-19(15)20(28)21(29)22-24(17,2)10-7-11-25(22,3)23(30)31-6/h14-15,17,19,21-22,29H,7-13H2,1-6H3/b16-14+/t15-,17-,19-,21-,22+,24+,25-/m0/s1", "name": "Erythrophleguine", "names": [ "Erythrophleguine" ] }, { "compound_id": "C08683", "inchi": "InChI=1S/C34H47NO10/c1-8-35-15-32(16-39-2)22(36)13-24(43-6)34-19-14-33(38)23(42-5)12-18(26(29(34)35)27(44-7)28(32)34)25(19)30(33)45-31(37)17-9-10-20(40-3)21(11-17)41-4/h9-12,19,22-30,36,38H,8,13-16H2,1-7H3/t19-,22-,23+,24?,25-,26?,27?,28-,29-,30-,32+,33+,34+/m1/s1", "name": "Falaconitine", "names": [ "Falaconitine" ] }, { "compound_id": "C08684", "inchi": "InChI=1S/C33H46N2O10/c1-6-35-16-28(17-45-26(37)19-9-7-8-10-21(19)34-18(2)36)12-11-24(43-4)32-23(28)15-29(38,27(32)35)30(39)14-22(42-3)20-13-31(32,40)33(30,41)25(20)44-5/h7-10,20,22-25,27,38-41H,6,11-17H2,1-5H3,(H,34,36)/t20-,22+,23-,24?,25+,27-,28+,29?,30+,31-,32+,33+/m1/s1", "name": "Finaconitine", "names": [ "Finaconitine" ] }, { "compound_id": "C08685", "inchi": "InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15?,16-,17-,18+,19?,20-,21-,22+/m1/s1", "name": "Garryine", "names": [ "Garryine" ] }, { "compound_id": "C08686", "inchi": "InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13?,14+,15?,16+,17+,18?,20-,21+,22-/m0/s1", "name": "Heteratisine", "names": [ "Heteratisine" ] }, { "compound_id": "C08687", "inchi": "InChI=1S/C20H27NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10?,11-,12+,13-,14+,15+,16?,17+,18-,19-,20-/m0/s1", "name": "Hetisine", "names": [ "Hetisan-2,11,13-triol", "Hetisine" ] }, { "compound_id": "C08688", "inchi": "InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20?,21-,22?,23?,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1", "name": "Hypaconitine", "names": [ "Hypaconitine" ] }, { "compound_id": "C08689", "inchi": "InChI=1S/C22H33NO4/c1-20-9-7-16(24)22(3)17(20)14(27-19(22)25)10-12-13(20)6-8-21(2)15(23(4)5)11-26-18(12)21/h10,13-18,24H,6-9,11H2,1-5H3/t13?,14-,15?,16+,17-,18?,20-,21?,22+/m1/s1", "name": "Icaceine", "names": [ "Icaceine" ] }, { "compound_id": "C08690", "inchi": "InChI=1S/C22H31NO6/c1-18-6-5-11-20-7-8-21(25,27-10-20)19(2)14(20)13(28-17(19)24)15-22(11,29-15)16(18)26-9-12(18)23(3)4/h11-16,25H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16+,18?,19-,20-,21-,22+/m0/s1", "name": "Icacine", "names": [ "Icacine" ] }, { "compound_id": "C08691", "inchi": "InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22?,23+,24-,25?,26?,27-,28-,29-,31+,32+,33-,34+/m1/s1", "name": "Indaconitine", "names": [ "Indaconitine" ] }, { "compound_id": "C08692", "inchi": "InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22?,23-,24?,25?,26-,27-,28+,29-,30+,32+,33-,34+,35-/m1/s1", "name": "Jesaconitine", "names": [ "Jesaconitine" ] }, { "compound_id": "C08693", "inchi": "InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16?,17-,18+,19-,20+,21?,22-/m1/s1", "name": "Karakoline", "names": [ "Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-", "Karakoline" ] }, { "compound_id": "C08694", "inchi": "InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20?,22+,23-,24+,25?,26-,27+,29-,30+,31+,32+/m1/s1", "name": "Lappaconitine", "names": [ "Lappaconitine" ] }, { "compound_id": "C08695", "inchi": "InChI=1S/C22H31NO2/c1-14-16-5-6-18-21(11-16,19(14)25-15(2)24)10-7-17-20(3)8-4-9-22(17,18)13-23-12-20/h13,16-19H,1,4-12H2,2-3H3/t16?,17-,18-,19-,20+,21-,22+/m1/s1", "name": "Lindheimerine", "names": [ "Lindheimerine" ] }, { "compound_id": "C08696", "inchi": "InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24?,27-,28+,29-,30+,32+,33+,34?,35+,36?/m1/s1", "name": "Lycaconitine", "names": [ "Lycaconitine" ] }, { "compound_id": "C08697", "inchi": "InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16?,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1", "name": "Lycoctonine", "names": [ "Lycoctonine" ] }, { "compound_id": "C08698", "inchi": "InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20?,21-,22?,23-,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1", "name": "Mesaconitine", "names": [ "Mesaconitine" ] }, { "compound_id": "C08699", "inchi": "InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22-,24+,25?,27-,28+,29-,30+,33+,34+,35?,36+,37?/m1/s1", "name": "Methyllycaconitine", "names": [ "Methyllycaconitine" ] }, { "compound_id": "C08700", "inchi": "InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12?,13?,14-,15+,16+,17?,18?,19+,20-,21?,22-/m0/s1", "name": "Napelline", "names": [ "Napelline" ] }, { "compound_id": "C08701", "inchi": "InChI=1S/C23H37NO5/c1-14-15(11-20(28)29-10-9-24-4)5-6-16-21(14)17(26)12-18-22(16,2)8-7-19(27)23(18,3)13-25/h11,13-14,16-19,21,24,26-27H,5-10,12H2,1-4H3/b15-11+/t14-,16-,17-,18+,19-,21-,22+,23+/m0/s1", "name": "Norerythrostachaldine", "names": [ "Norerythrostachaldine" ] }, { "compound_id": "C08702", "inchi": "InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23+,25-,26?,28+,29-,30+,31-,34-,35-,36?,37-,38?/m0/s1", "name": "Nudicauline", "names": [ "Nudicauline" ] }, { "compound_id": "C08703", "inchi": "InChI=1S/C24H35NO3/c1-15-17-5-6-19-23(13-17,20(15)28-16(2)26)10-7-18-22(3)8-4-9-24(18,19)21-25(14-22)11-12-27-21/h17-21H,1,4-14H2,2-3H3/t17?,18-,19-,20-,21?,22+,23-,24+/m1/s1", "name": "Ovatine", "names": [ "Ovatine" ] }, { "compound_id": "C08704", "inchi": "InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24?,25+,26-,27?,28?,29-,30-,31-,33+,34+,35-,36+/m1/s1", "name": "Pseudoaconitine", "names": [ "Pseudoaconitine" ] }, { "compound_id": "C08705", "inchi": "InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19?,20-,21-,22+,23+,24+,25+/m0/s1", "name": "Ryanodine", "names": [ "Ryania", "Ryanodine" ] }, { "compound_id": "C08706", "inchi": "InChI=1S/C38H54N2O11/c1-8-40-19-35(20-51-33(43)21-11-9-10-12-24(21)39-27(41)13-14-28(42)47-4)16-15-26(46-3)37-23-17-22-25(45-2)18-36(50-7,29(23)30(22)48-5)38(44,34(37)40)32(49-6)31(35)37/h9-12,22-23,25-26,29-32,34,44H,8,13-20H2,1-7H3,(H,39,41)/t22-,23-,25+,26?,29-,30+,31-,32+,34+,35+,36-,37+,38?/m1/s1", "name": "Septentrionine", "names": [ "Septentrionine" ] }, { "compound_id": "C08707", "inchi": "InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12?,13-,15-,16-,17?,18?,19-,20+,21?,22+/m1/s1", "name": "Songorine", "names": [ "Napellonine", "Songorine", "Zongorine" ] }, { "compound_id": "C08708", "inchi": "InChI=1S/C20H25NO2/c1-10-7-18-8-20(23)16-17(2)4-3-5-19(16)14(18)13(22)11(10)6-12(18)15(19)21(20)9-17/h11-12,14-16,23H,1,3-9H2,2H3/t11-,12-,14?,15-,16-,17+,18+,19+,20+/m1/s1", "name": "Spiradine A", "names": [ "6-Hydroxyhetisan-11-one", "Spiradine A" ] }, { "compound_id": "C08709", "inchi": "InChI=1S/C24H33NO4/c1-13-15-5-8-24(19(13)28-14(2)26)17(11-15)23-7-4-6-22(3)16(23)12-18(24)29-21(23)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3/t15-,16+,17-,18+,19-,20+,21?,22+,23?,24+/m0/s1", "name": "Spiramine A", "names": [ "Spiramine A" ] }, { "compound_id": "C08710", "inchi": "InChI=1S/C22H29NO3/c1-12-9-20-11-15(24)16-19(2)4-3-5-21(16)17(23-6-7-26-18(19)23)14(20)8-13(12)10-22(20,21)25/h9,13-14,16-18,25H,3-8,10-11H2,1-2H3/t13-,14+,16+,17+,18+,19+,20-,21?,22-/m0/s1", "name": "Spirasine I", "names": [ "Spirasine I" ] }, { "compound_id": "C08711", "inchi": "InChI=1S/C22H27NO3/c1-11-9-21-10-14(24)16-20(2)4-3-5-22(16)17(21)15(25)12(11)8-13(21)18(22)23-6-7-26-19(20)23/h12-13,16-19H,1,3-10H2,2H3/t12-,13-,16-,17?,18-,19-,20-,21+,22?/m1/s1", "name": "Spiredine", "names": [ "Spiredine" ] }, { "compound_id": "C08712", "inchi": "InChI=1S/C42H58N2O/c1-36-8-5-9-42-32(36)7-11-39-21-40(25(16-33(39)42)15-30(39)34(42)44(4)23-36)12-13-41-29-17-28-26-14-24-18-37(2,22-43(3)20-24)27(26)6-10-38(28,19-31(29)41)35(41)45-40/h17,24-25,29-35H,5-16,18-23H2,1-4H3/t24?,25-,29+,30+,31?,32+,33?,34+,35-,36-,37-,38+,39+,40-,41+,42-/m0/s1", "name": "Staphidine", "names": [ "Staphidine" ] }, { "compound_id": "C08713", "inchi": "InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18?,19-,20+,21-,22+,23?,24-/m1/s1", "name": "Talatizamine", "names": [ "Talatizamine" ] }, { "compound_id": "C08714", "inchi": "InChI=1S/C22H27NO4/c1-11-9-21-10-14(25)16-20(2)4-3-5-22(16)17(21)15(26)12(11)8-13(21)18(22)23(6-7-24)19(20)27/h12-13,16-18,24H,1,3-10H2,2H3/t12-,13-,16-,17?,18-,20-,21+,22+/m1/s1", "name": "Thalicsessine", "names": [ "21-(2-Hydroxyethyl)-6,21-secohetisan-6,11,19-trione", "Thalicsessine" ] }, { "compound_id": "C08715", "inchi": "InChI=1S/C27H43NO8/c1-7-28-12-24(13-36-14(2)29)9-8-18(33-4)26-16-10-15-17(32-3)11-25(30,19(16)20(15)34-5)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18?,19-,20+,21-,22+,23+,24+,25-,26+,27?/m1/s1", "name": "Tricornine", "names": [ "Tricornine" ] }, { "compound_id": "C08716", "inchi": "InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1", "name": "Malvidin", "names": [ "Malvidin", "Malvidin chloride" ] }, { "compound_id": "C08717", "inchi": "InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22+,23+,24-/m1/s1", "name": "Silychristin", "names": [ "Silychristin" ] }, { "compound_id": "C08718", "inchi": "InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1", "name": "Malvin", "names": [ "Malvin" ] }, { "compound_id": "C08719", "inchi": "InChI=1S/C30H36O4/c1-18(2)7-10-21-15-23(16-22(29(21)33)11-8-19(3)4)28-17-27(32)25-13-14-26(31)24(30(25)34-28)12-9-20(5)6/h7-9,13-16,28,31,33H,10-12,17H2,1-6H3/t28-/m0/s1", "name": "Sophoranone", "names": [ "Sophoranone" ] }, { "compound_id": "C08720", "inchi": "InChI=1S/C15H10O6/c16-9-3-1-7(5-11(9)18)6-12-13(19)8-2-4-10(17)14(20)15(8)21-12/h1-6,16-18,20H/b12-6-", "name": "Maritimetin", "names": [ "Maritimetin" ] }, { "compound_id": "C08721", "inchi": null, "name": "Polysialic acid acetylated at O-9", "names": [ "Polysialic acid acetylated at O-9" ] }, { "compound_id": "C08722", "inchi": "InChI=1S/C16H10O5/c17-10-7-11-13(16-15(10)19-8-20-16)14(18)12(21-11)6-9-4-2-1-3-5-9/h1-7,17H,8H2/b12-6-", "name": "4,5-Methylenedioxy-6-hydroxyaurone", "names": [ "4,5-Methylenedioxy-6-hydroxyaurone" ] }, { "compound_id": "C08723", "inchi": "InChI=1S/C42H40O23/c43-20-6-1-18(2-7-20)3-10-31(50)58-16-27-34(53)35(54)37(56)41(63-27)62-26-13-23-24(60-39(26)19-4-8-21(44)9-5-19)11-22(45)12-25(23)61-42-38(57)36(55)40(65-33(52)15-30(48)49)28(64-42)17-59-32(51)14-29(46)47/h1-13,27-28,34-38,40-42,53-57H,14-17H2,(H4-,43,44,45,46,47,48,49,50)/p+1/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1", "name": "Monardaein", "names": [ "Monardaein" ] }, { "compound_id": "C08724", "inchi": "InChI=1S/C15H12O6/c16-10(9-3-6-12(18)15(21)14(9)20)4-1-8-2-5-11(17)13(19)7-8/h1-7,17-21H/b4-1+", "name": "Okanin", "names": [ "Okanin" ] }, { "compound_id": "C08725", "inchi": "InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1", "name": "Pelargonin", "names": [ "Pelargonidin 3,5-di-beta-D-glucoside", "Pelargonin" ] }, { "compound_id": "C08726", "inchi": "InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H", "name": "Peonidin", "names": [ "3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride", "Peonidin" ] }, { "compound_id": "C08727", "inchi": "InChI=1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H", "name": "Petunidin", "names": [ "Petunidin", "Petunidin chloride" ] }, { "compound_id": "C08728", "inchi": "InChI=1S/C15H8O6/c16-7-3-10(19)14-12(4-7)20-13-2-6-1-8(17)9(18)5-11(6)21-15(13)14/h1-5H,(H3-,16,17,18,19)/p+1", "name": "Riccionidin A", "names": [ "Riccionidin A" ] }, { "compound_id": "C08729", "inchi": "InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1", "name": "Rosinidin", "names": [ "Rosinidin" ] }, { "compound_id": "C08730", "inchi": "InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-", "name": "Sulphuretin", "names": [ "Sulfuretin", "Sulphuretin" ] }, { "compound_id": "C08731", "inchi": "InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+", "name": "Xenognosin A", "names": [ "Xenognosin A" ] }, { "compound_id": "C08732", "inchi": "InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+", "name": "Albafuran A", "names": [ "4-((2E)-3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol", "Albafuran A" ] }, { "compound_id": "C08733", "inchi": "InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)", "name": "Ammeline", "names": [ "2-Hydroxy-4,6-diamino-1,3,5-triazine", "Ammeline" ] }, { "compound_id": "C08734", "inchi": "InChI=1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)", "name": "Ammelide", "names": [ "2,4-Dihydroxy-6-amino-1,3,5-triazine", "Ammelide" ] }, { "compound_id": "C08735", "inchi": "InChI=1S/C3H3ClN4O/c4-1-6-2(5)8-3(9)7-1/h(H3,5,6,7,8,9)", "name": "2-Chloro-4-hydroxy-6-amino-1,3,5-triazine", "names": [ "2-Chloro-4-hydroxy-6-amino-1,3,5-triazine" ] }, { "compound_id": "C08736", "inchi": "InChI=1S/C3H2ClN3O2/c4-1-5-2(8)7-3(9)6-1/h(H2,5,6,7,8,9)", "name": "6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione", "names": [ "2-Chloro-4,6-dihydroxy-1,3,5-triazine", "6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione" ] }, { "compound_id": "C08737", "inchi": "InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)", "name": "Melamine", "names": [ "2,4,6-Triamino-1,3,5-triazine", "Melamine" ] }, { "compound_id": "C08738", "inchi": "InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33-,34+/m0/s1", "name": "Albanol A", "names": [ "Albanol A", "Mulberrofuran G" ] }, { "compound_id": "C08739", "inchi": "InChI=1S/C15H14O6/c1-18-13-9(16)5-4-7-8-6-10(17)14(19-2)15(20-3)12(8)21-11(7)13/h4-6,16-17H,1-3H3", "name": "alpha-Cotonefuran", "names": [ "alpha-Cotonefuran" ] }, { "compound_id": "C08740", "inchi": "InChI=1S/C16H16O6/c1-18-11-7-9-8-5-6-10(17)14(19-2)12(8)22-13(9)16(21-4)15(11)20-3/h5-7,17H,1-4H3", "name": "beta-Cotonefuran", "names": [ "beta-Cotonefuran" ] }, { "compound_id": "C08741", "inchi": "InChI=1S/C13H12O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-7H,1H2,2-3H3", "name": "Dehydrotremetone", "names": [ "Dehydrotremetone" ] }, { "compound_id": "C08742", "inchi": "InChI=1S/C15H14O6/c1-18-12-6-11-7(4-9(12)16)8-5-10(17)14(19-2)15(20-3)13(8)21-11/h4-6,16-17H,1-3H3", "name": "2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran", "names": [ "2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran" ] }, { "compound_id": "C08743", "inchi": "InChI=1S/C14H12O4/c1-16-11-7-9-8-5-3-4-6-10(8)18-13(9)14(17-2)12(11)15/h3-7,15H,1-2H3", "name": "Eriobofuran", "names": [ "2,4-Dimethoxydibenzofuran-3-ol", "Eriobofuran" ] }, { "compound_id": "C08744", "inchi": "InChI=1S/C13H14O3/c1-7(2)12-5-9-4-10(8(3)14)11(15)6-13(9)16-12/h4,6,12,15H,1,5H2,2-3H3/t12-/m1/s1", "name": "Dihydroeuparin", "names": [ "6-Hydroxytremetone", "Dihydroeuparin" ] }, { "compound_id": "C08745", "inchi": "InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23?,24?/m1/s1", "name": "Lithospermic acid", "names": [ "Lithospermic acid" ] }, { "compound_id": "C08746", "inchi": "InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3/t10?,12-,13+,15-,16-,17-,18-,19-,22-,23-,24+,25+/m1/s1", "name": "Ailanthinone", "names": [ "Ailanthinone" ] }, { "compound_id": "C08747", "inchi": "InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1", "name": "Ailanthone", "names": [ "Ailanthone" ] }, { "compound_id": "C08748", "inchi": "InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1", "name": "Azadirachtin A", "names": [ "Azadirachtin", "Azadirachtin A" ] }, { "compound_id": "C08749", "inchi": "InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1", "name": "Bruceantin", "names": [ "Bruceantin" ] }, { "compound_id": "C08750", "inchi": "InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1", "name": "Bruceantinol", "names": [ "Bruceantinol" ] }, { "compound_id": "C08751", "inchi": "InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1", "name": "Bruceine B", "names": [ "Bruceine B" ] }, { "compound_id": "C08752", "inchi": "InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1", "name": "Bruceine D", "names": [ "Bruceine D" ] }, { "compound_id": "C08753", "inchi": "InChI=1S/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1", "name": "Bruceoside A", "names": [ "Bruceoside A" ] }, { "compound_id": "C08754", "inchi": "InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1", "name": "Brusatol", "names": [ "Brusatol" ] }, { "compound_id": "C08755", "inchi": "InChI=1S/C25H34O9/c1-10(2)6-16(27)34-18-17-12(4)19(28)25(31)22-23(5)13(11(3)7-14(26)20(23)29)8-15(33-21(18)30)24(17,22)9-32-25/h7,10,12-13,15,17-20,22,28-29,31H,6,8-9H2,1-5H3/t12-,13+,15-,17-,18-,19-,20-,22-,23-,24+,25+/m1/s1", "name": "Castelanone", "names": [ "Castelanone" ] }, { "compound_id": "C08756", "inchi": "InChI=1S/C20H28O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-13,15-17,21,23-25H,5-7H2,1-3H3/t9-,10+,11+,12+,13-,15-,16-,17-,18-,19-,20+/m1/s1", "name": "Chaparrin", "names": [ "Chaparrin" ] }, { "compound_id": "C08757", "inchi": "InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1", "name": "Chaparrinone", "names": [ "Chaparrinone" ] }, { "compound_id": "C08758", "inchi": "InChI=1S/C20H30O6/c1-8-5-12(21)18(25)20(4)10(8)6-13-19(3)11(7-14(22)26-13)9(2)15(23)16(24)17(19)20/h8-13,15,17-18,21,23,25H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,15+,17+,18-,19-,20+/m1/s1", "name": "Chaparrolide", "names": [ "Chaparrolide" ] }, { "compound_id": "C08759", "inchi": "InChI=1S/C19H24O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5,8-9,12-16,22-23H,6H2,1-4H3/t8-,9+,12-,13+,14-,15-,16-,18+,19+/m1/s1", "name": "Eurycomalactone", "names": [ "Eurycomalactone" ] }, { "compound_id": "C08760", "inchi": "InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1", "name": "Glaucarubin", "names": [ "Glaucarubin" ] }, { "compound_id": "C08761", "inchi": "InChI=1S/C16H16O6/c1-18-9-7-5-6-8-10-13(19-2)11(17)15(20-3)16(21-4)14(10)22-12(8)9/h5-7,17H,1-4H3", "name": "6-Methoxy-alpha-pyrufuran", "names": [ "6-Methoxy-alpha-pyrufuran" ] }, { "compound_id": "C08762", "inchi": "InChI=1S/C14H14O3/c1-8(2)12-6-10-5-11(9(3)15)14(16-4)7-13(10)17-12/h5-7H,1H2,2-4H3", "name": "6-O-Methyleuparin", "names": [ "1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone", "6-O-Methyleuparin" ] }, { "compound_id": "C08763", "inchi": "InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1", "name": "Glaucarubinone", "names": [ "Glaucarubinone" ] }, { "compound_id": "C08764", "inchi": "InChI=1S/C20H26O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-9,11-15,17,22-24,26H,5-6H2,1-3H3/t8-,9+,11-,12-,13-,14-,15-,17-,18-,19+,20+/m1/s1", "name": "Glaucarubolone", "names": [ "Glaucarubolone" ] }, { "compound_id": "C08765", "inchi": "InChI=1/C25H34O7/c1-13(10-18(27)28)23(4)8-6-15-19(20(29)30)14(11-16(26)24(15,23)5)12-25-9-7-17(32-25)22(2,3)21(25)31/h6,13,16-17,26H,7-12H2,1-5H3,(H,27,28)(H,29,30)/t13-,16-,17+,23+,24+,25+/m1/s1/f/h27,29H", "name": "Glycinoeclepin A", "names": [ "Glycinoeclepin A" ] }, { "compound_id": "C08766", "inchi": "InChI=1S/C27H32O10/c1-21(2)20(30)25(31)22(3,11-8-16(28)33-6)15-7-10-23(4)17(14-9-12-34-13-14)35-19(29)18-26(23,36-18)24(15,5)27(25,32)37-21/h8-9,11-13,15,17-18,31-32H,7,10H2,1-6H3/b11-8-/t15-,17+,18-,22-,23+,24-,25+,26-,27+/m1/s1", "name": "Harrisonin", "names": [ "Harrisonin" ] }, { "compound_id": "C08767", "inchi": "InChI=1S/C28H36O10/c1-12(29)37-18-9-17(31)27-11-36-23(34)24(18,2)15(27)8-16(30)26(4)21(27)20(32)22(33)25(3)14(13-5-6-35-10-13)7-19-28(25,26)38-19/h5-6,10,14-19,21-23,30-31,33-34H,7-9,11H2,1-4H3/t14-,15-,16+,17-,18+,19+,21-,22-,23+,24+,25+,26+,27+,28+/m0/s1", "name": "12alpha-Hydroxyamoorstatin", "names": [ "12alpha-Hydroxyamoorstatin" ] }, { "compound_id": "C08768", "inchi": "InChI=1S/C26H32O9/c1-22(2,31)15-9-16(27)24(4)14(25(15)12-33-18(29)10-17(25)28)5-7-23(3)19(13-6-8-32-11-13)34-21(30)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,28,31H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1", "name": "Ichangin", "names": [ "Ichangin" ] }, { "compound_id": "C08769", "inchi": "InChI=1S/C26H34O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h7,10,12,14,16-21,29-31H,6,8-9H2,1-5H3/t12-,14+,16+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1", "name": "Isobrucein A", "names": [ "Isobrucein A" ] }, { "compound_id": "C08770", "inchi": "InChI=1S/C23H28O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10,12-18,26-28H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1", "name": "Isobrucein B", "names": [ "Isobrucein B" ] }, { "compound_id": "C08771", "inchi": "InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1", "name": "Neoquassin", "names": [ "Neoquassin" ] }, { "compound_id": "C08772", "inchi": "InChI=1S/C22H34O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-17,19,23-24,26H,8-9H2,1-6H3/t10-,11+,13-,14-,15?,16+,17-,19-,20+,21-,22+/m1/s1", "name": "Nigakihemiacetal A", "names": [ "Nigakihemiacetal A" ] }, { "compound_id": "C08773", "inchi": "InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1", "name": "Nomilin", "names": [ "Nomilin" ] }, { "compound_id": "C08774", "inchi": "InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9-", "name": "(Z)-2-Decene-4,6,8-triynoic acid methylester", "names": [ "(Z)-2-Decene-4,6,8-triynoic acid methylester" ] }, { "compound_id": "C08775", "inchi": "InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1", "name": "Obacunone", "names": [ "Obacunone" ] }, { "compound_id": "C08776", "inchi": "InChI=1S/C23H34O7/c1-10-7-15(25)21(27)23(5)13(10)8-16-22(4)14(9-17(26)30-16)11(2)18(28-6)19(20(22)23)29-12(3)24/h10-11,13-16,18-20,25H,7-9H2,1-6H3/t10-,11-,13+,14+,15+,16-,18+,19-,20+,22-,23+/m1/s1", "name": "Picrasin C", "names": [ "Nigakilactone J", "Picrasin C", "Quassin" ] }, { "compound_id": "C08777", "inchi": "InChI=1/C27H36O11/c1-7-24(4,38-12(3)28)23(34)37-17-19-26(6)21(32)16(30)18-25(5)13(11(2)8-14(29)20(25)31)9-15(36-22(17)33)27(18,19)10-35-26/h8,13,15-21,30-32H,7,9-10H2,1-6H3/t13-,15+,16+,17+,18+,19-,20+,21-,24+,25-,26-,27+/m0/s1", "name": "Quassimarin", "names": [ "Quassimarin" ] }, { "compound_id": "C08778", "inchi": "InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1", "name": "Quassin", "names": [ "Nigakilactone D", "Quassin" ] }, { "compound_id": "C08779", "inchi": "InChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17-,18-,19-,20+,23-,24-,25-,26+/m0/s1", "name": "Rutaevin", "names": [ "Rutaevin" ] }, { "compound_id": "C08780", "inchi": "InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23+,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1", "name": "Salannin", "names": [ "Salannin" ] }, { "compound_id": "C08781", "inchi": "InChI=1S/C18H18O6/c1-7-4-9(19)16(2)8(7)5-10(20)18-6-23-17(3)13(18)15(22)24-14(17)11(21)12(16)18/h4-5,11-14,21H,6H2,1-3H3/t11-,12-,13+,14+,16-,17+,18-/m1/s1", "name": "Samaderin A", "names": [ "Samaderin A" ] }, { "compound_id": "C08782", "inchi": "InChI=1S/C25H28O11/c1-9-11-5-15(27)35-13(11)7-23(3)12(9)6-14-24-8-33-25(22(31)32-4,20(29)16(28)18(23)24)19(24)17(21(30)36-14)34-10(2)26/h5,7,9,12,14,16-20,28-29H,6,8H2,1-4H3/t9-,12+,14-,16-,17-,18-,19-,20+,23+,24-,25+/m1/s1", "name": "Sergeolide", "names": [ "Sergeolide" ] }, { "compound_id": "C08783", "inchi": "InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24+,25-/m1/s1", "name": "Simalikilactone D", "names": [ "Simalikilactone D" ] }, { "compound_id": "C08784", "inchi": "InChI=1S/C25H34O10/c1-10-6-13(26)19(29)23(5)12(10)7-14-24-9-33-25(32,21(23)24)18(28)11(2)16(24)17(20(30)34-14)35-15(27)8-22(3,4)31/h6,11-12,14,16-19,21,28-29,31-32H,7-9H2,1-5H3/t11-,12+,14-,16-,17-,18-,19-,21-,23-,24+,25+/m1/s1", "name": "Soularubinone", "names": [ "Soularubinone" ] }, { "compound_id": "C08785", "inchi": "InChI=1S/C31H38O9/c1-16-25(29(6)11-9-22(34)28(4,5)21(29)14-24(35)36-8)26(38-17(2)32)27(39-18(3)33)30(7)20(19-10-12-37-15-19)13-23-31(16,30)40-23/h9-12,15,20-21,23,25-27H,1,13-14H2,2-8H3/t20-,21-,23+,25+,26-,27-,29-,30+,31+/m0/s1", "name": "Toonacilin", "names": [ "Toonacilin" ] }, { "compound_id": "C08786", "inchi": "InChI=1S/C35H46O13/c1-8-15(2)29(42)47-30-31(5)20-12-21(38)33(7)25(34(20,14-44-30)27(41)24(45-16(3)36)28(31)46-17(4)37)23(39)26(40)32(6)19(18-9-10-43-13-18)11-22-35(32,33)48-22/h9-10,13,15,19-22,24-28,30,38,40-41H,8,11-12,14H2,1-7H3/t15-,19+,20+,21-,22-,24-,25+,26-,27+,28-,30+,31-,32-,33-,34+,35-/m1/s1", "name": "Trichilin A", "names": [ "Trichilin A" ] }, { "compound_id": "C08787", "inchi": "InChI=1S/C27H34O11/c1-7-10(2)22(32)37-17-15-11(3)8-14(29)20(31)25(15,6)24-26-9-35-27(24,34)19(30)12(4)16(26)18(36-13(5)28)23(33)38-21(17)26/h7-8,12,15-21,24,30-31,34H,9H2,1-6H3/b10-7+/t12-,15-,16-,17-,18-,19-,20-,21-,24-,25-,26-,27+/m1/s1", "name": "Undulatone", "names": [ "Undulatone" ] }, { "compound_id": "C08788", "inchi": "InChI=1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3/t14-,15-,18+,19-,20+,23-,24-,25+,26+/m0/s1", "name": "Zapoterin", "names": [ "Zapoterin" ] }, { "compound_id": "C08789", "inchi": "InChI=1S/C30H50O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-24,31-32,34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24?,28+,29-,30+/m1/s1", "name": "Bryodulcosigenin", "names": [ "Bryodulcosigenin" ] }, { "compound_id": "C08790", "inchi": "InChI=1S/C42H68O13/c1-21(19-52-37-36(51)34(49)32(47)27(55-37)20-53-38-35(50)33(48)31(46)26(18-43)54-38)9-8-10-22(2)23-15-16-40(5)28-13-11-24-25(12-14-29(44)39(24,3)4)42(28,7)30(45)17-41(23,40)6/h9,11,22-23,25-29,31-38,43-44,46-51H,8,10,12-20H2,1-7H3/b21-9+/t22-,23-,25-,26-,27-,28+,29+,31-,32-,33+,34+,35-,36-,37-,38-,40+,41-,42+/m1/s1", "name": "Carnosifloside I", "names": [ "Carnosifloside I" ] }, { "compound_id": "C08791", "inchi": "InChI=1S/C48H78O18/c1-22(20-61-42-40(59)38(57)35(54)29(65-42)21-62-43-39(58)36(55)33(52)27(18-49)63-43)9-8-10-23(2)24-15-16-46(5)30-13-11-25-26(48(30,7)31(51)17-47(24,46)6)12-14-32(45(25,3)4)66-44-41(60)37(56)34(53)28(19-50)64-44/h9,11,23-24,26-30,32-44,49-50,52-60H,8,10,12-21H2,1-7H3/b22-9+/t23-,24-,26-,27-,28-,29-,30+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44+,46+,47-,48+/m1/s1", "name": "Carnosifloside III", "names": [ "Carnosifloside III" ] }, { "compound_id": "C08792", "inchi": "InChI=1S/C48H80O18/c1-22(20-61-42-40(59)38(57)35(54)29(65-42)21-62-43-39(58)36(55)33(52)27(18-49)63-43)9-8-10-23(2)24-15-16-46(5)30-13-11-25-26(48(30,7)31(51)17-47(24,46)6)12-14-32(45(25,3)4)66-44-41(60)37(56)34(53)28(19-50)64-44/h9,11,23-24,26-44,49-60H,8,10,12-21H2,1-7H3/b22-9+/t23-,24-,26-,27-,28-,29-,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44+,46+,47-,48+/m1/s1", "name": "Carnosifloside VI", "names": [ "Carnosifloside VI" ] }, { "compound_id": "C08793", "inchi": "InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1", "name": "Cucurbitacin A", "names": [ "Cucurbitacin A" ] }, { "compound_id": "C08794", "inchi": "InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1", "name": "Cucurbitacin B", "names": [ "Cucurbitacin B" ] }, { "compound_id": "C08795", "inchi": "InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1", "name": "Cucurbitacin C", "names": [ "Cucurbitacin C" ] }, { "compound_id": "C08796", "inchi": "InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1", "name": "Cucurbitacin D", "names": [ "Cucurbitacin D" ] }, { "compound_id": "C08797", "inchi": "InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1", "name": "Cucurbitacin E", "names": [ "Cucurbitacin E" ] }, { "compound_id": "C08798", "inchi": "InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1", "name": "Cucurbitacin F", "names": [ "Cucurbitacin F" ] }, { "compound_id": "C08799", "inchi": "InChI=1S/C30H46O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,16-20,23,31-33,37-38H,10-14H2,1-8H3/t16-,17+,18-,19+,20?,23+,27+,28-,29+,30+/m1/s1", "name": "Cucurbitacin H", "names": [ "Cucurbitacin H" ] }, { "compound_id": "C08800", "inchi": "InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1", "name": "Cucurbitacin I", "names": [ "Cucurbitacin I" ] }, { "compound_id": "C08801", "inchi": "InChI=1S/C30H44O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3/t16-,18-,19+,20?,23+,27+,28-,29+,30+/m1/s1", "name": "Cucurbitacin J", "names": [ "Cucurbitacin J" ] }, { "compound_id": "C08802", "inchi": "InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,13,17,19-20,23,31-32,36-37H,10-12,14-15H2,1-8H3/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1", "name": "Cucurbitacin L", "names": [ "Cucurbitacin L" ] }, { "compound_id": "C08803", "inchi": "InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18-,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1", "name": "Cucurbitacin O", "names": [ "Cucurbitacin O" ] }, { "compound_id": "C08804", "inchi": "InChI=1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18-,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1", "name": "Cucurbitacin P", "names": [ "Cucurbitacin P" ] }, { "compound_id": "C08805", "inchi": "InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25-26,34-35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,20-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1", "name": "Cucurbitacin Q", "names": [ "Cucurbitacin Q" ] }, { "compound_id": "C08806", "inchi": "InChI=1S/C30H42O6/c1-15-18(31)12-23(27(4,5)35)36-20-13-28(6)21-10-9-16-17(11-19(32)25(34)26(16,2)3)30(21,8)22(33)14-29(28,7)24(15)20/h9,11,15,17,20-21,23-24,32,35H,10,12-14H2,1-8H3/t15-,17-,20-,21+,23+,24+,28+,29-,30+/m1/s1", "name": "Cucurbitacin S", "names": [ "Cucurbitacin S" ] }, { "compound_id": "C08807", "inchi": "InChI=1S/C30H44O6/c1-25(2,35)12-11-22(33)30(8,36)23-20(32)16-29(7)21-10-9-17-18(15-19(31)24(34)26(17,3)4)27(21,5)13-14-28(23,29)6/h9,11-12,15,18,20-21,23,31-32,35-36H,10,13-14,16H2,1-8H3/b12-11+/t18-,20-,21-,23+,27+,28-,29+,30+/m1/s1", "name": "11-Deoxocucurbitacin I", "names": [ "11-Deoxocucurbitacin I" ] }, { "compound_id": "C08808", "inchi": "InChI=1S/C30H48O4/c1-25(2)18-9-11-21-27(5)15-13-20(29(7)16-14-24(34-29)26(3,4)33)28(27,6)17-23(32)30(21,8)19(18)10-12-22(25)31/h9,19-22,24,31,33H,10-17H2,1-8H3/t19-,20+,21+,22+,24+,27+,28-,29+,30+/m1/s1", "name": "Gratiogenin", "names": [ "Gratiogenin" ] }, { "compound_id": "C08809", "inchi": "InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1", "name": "Spinoside A", "names": [ "Spinoside A" ] }, { "compound_id": "C08810", "inchi": "InChI=1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3/t16-,18-,20+,21-,22-,24+,26+,27-,28+,29+/m0/s1", "name": "Ajugalactone", "names": [ "Ajugalactone" ] }, { "compound_id": "C08811", "inchi": "InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1", "name": "Ajugasterone C", "names": [ "Ajugasterone C" ] }, { "compound_id": "C08813", "inchi": "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1", "name": "Brassicasterol", "names": [ "Brassicasterol" ] }, { "compound_id": "C08814", "inchi": "InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1", "name": "Brassinolide", "names": [ "Brassinolide" ] }, { "compound_id": "C08815", "inchi": null, "name": "Agar", "names": [ "Agar" ] }, { "compound_id": "C08816", "inchi": "InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1", "name": "Cyasterone", "names": [ "Cyasterone" ] }, { "compound_id": "C08817", "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1", "name": "Fucosterol", "names": [ "Fucosterol" ] }, { "compound_id": "C08818", "inchi": null, "name": "Carrageenan", "names": [ "Carrageenan" ] }, { "compound_id": "C08819", "inchi": "InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1", "name": "Inokosterone", "names": [ "Inokosterone" ] }, { "compound_id": "C08821", "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1", "name": "Isofucosterol", "names": [ "Isofucosterol", "delta5-Avenasterol" ] }, { "compound_id": "C08822", "inchi": null, "name": "Gum arabic", "names": [ "Gum arabic" ] }, { "compound_id": "C08823", "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22,24-25,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1", "name": "Lichesterol", "names": [ "Lichesterol" ] }, { "compound_id": "C08825", "inchi": "InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1", "name": "Lophenol", "names": [ "4-Methylcholest-7-en-3-ol", "4alpha-Methyl-5alpha-cholest-7-en-3beta-ol", "Lophenol" ] }, { "compound_id": "C08827", "inchi": null, "name": "Gum tragacanth", "names": [ "Gum tragacanth", "Tragacanth" ] }, { "compound_id": "C08829", "inchi": "InChI=1S/C28H46O7/c1-15(16(2)14-29)10-24(33)27(5,34)23-7-9-28(35)18-11-20(30)19-12-21(31)22(32)13-25(19,3)17(18)6-8-26(23,28)4/h11,15-17,19,21-24,29,31-35H,6-10,12-14H2,1-5H3/t15-,16?,17+,19+,21-,22+,23+,24-,25-,26-,27-,28-/m1/s1", "name": "Makisterone B", "names": [ "Makisterone B" ] }, { "compound_id": "C08830", "inchi": "InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1", "name": "24-Methylenecycloartanol", "names": [ "24-Methylenecycloartanol", "9,19-Cyclolanostan-3-o1, 24-methylene-, (3beta)-" ] }, { "compound_id": "C08831", "inchi": "InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16-,17+,19+,20-/m0/s1", "name": "Miroestrol", "names": [ "Miroestrol" ] }, { "compound_id": "C08832", "inchi": "InChI=1S/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27+/m0/s1", "name": "Podecdysone B", "names": [ "Podecdysone B" ] }, { "compound_id": "C08833", "inchi": "InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)23-12-13-26(5)24-10-9-21-17-22(29)11-14-27(21)18-28(24,27)16-15-25(23,26)4/h19-24,29H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25-,26+,27-,28+/m1/s1", "name": "Pollinastanol", "names": [ "Pollinastanol" ] }, { "compound_id": "C08834", "inchi": "InChI=1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26+,27+/m0/s1", "name": "Polypodine B", "names": [ "Polypodine B" ] }, { "compound_id": "C08835", "inchi": "InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1", "name": "Ponasterone A", "names": [ "Ponasterone A" ] }, { "compound_id": "C08836", "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1", "name": "Poriferasterol", "names": [ "(3beta,22E,24R)-Stigmasta-5,22-dien-3-ol", "Poriferasterol" ] }, { "compound_id": "C08837", "inchi": "InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12-,13+,15+,17-,18+,19-,20-,21-/m1/s1", "name": "Poststerone", "names": [ "Poststerone" ] }, { "compound_id": "C08838", "inchi": "InChI=1S/C27H44O7/c1-14(2)18(28)12-23(32)26(5,33)22-7-9-27(34)16-10-19(29)17-11-20(30)21(31)13-24(17,3)15(16)6-8-25(22,27)4/h10,14-15,17-18,20-23,28,30-34H,6-9,11-13H2,1-5H3/t15-,17-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1", "name": "Pterosterone", "names": [ "Pterosterone" ] }, { "compound_id": "C08839", "inchi": "InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1", "name": "Schottenol", "names": [ "7-Stigmastenol", "Schottenol" ] }, { "compound_id": "C08840", "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1", "name": "alpha-Spinasterol", "names": [ "Spinasterol", "alpha-Spinasterol" ] }, { "compound_id": "C08841", "inchi": "InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1", "name": "Withaferin A", "names": [ "Withaferin A" ] }, { "compound_id": "C08842", "inchi": "InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1", "name": "Withanolide D", "names": [ "Withanolide D" ] }, { "compound_id": "C08843", "inchi": "InChI=1S/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-8-28(13-30)16(10-17)3-4-19-18(28)6-7-27(2)22(15-9-21(32)37-12-15)20(31)11-29(19,27)36/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22-,23-,24+,25+,26-,27+,28+,29-/m0/s1", "name": "Adonitoxin", "names": [ "Adonitoxigenin 3-O-alpha-L-rhamnoside", "Adonitoxin" ] }, { "compound_id": "C08844", "inchi": "InChI=1S/C16H14O5/c1-19-12-6-15(20-2)13-8-14(21-16(13)7-12)9-3-10(17)5-11(18)4-9/h3-8,17-18H,1-2H3", "name": "Moracin A", "names": [ "Moracin A" ] }, { "compound_id": "C08845", "inchi": "InChI=1S/C30H44O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,25+,26+,27+,28-,29+,30-/m1/s1", "name": "Adynerin", "names": [ "Adynerigenin 3-O-beta-D-diginoside", "Adynerin" ] }, { "compound_id": "C08846", "inchi": "InChI=1S/C25H28O4/c1-16(2)6-5-7-17(3)8-11-21-22(13-20(27)15-24(21)28-4)25-12-18-9-10-19(26)14-23(18)29-25/h6,8-10,12-15,26-27H,5,7,11H2,1-4H3/b17-8+", "name": "Mulberrofuran A", "names": [ "Mulberrofuran A" ] }, { "compound_id": "C08847", "inchi": "InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1", "name": "alpha-Antiarin", "names": [ "Antiarigenin 3-O-beta-D-antiaroside", "alpha-Antiarin" ] }, { "compound_id": "C08848", "inchi": "InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)19-11-20(30)27(3)17(15-10-21(31)37-13-15)6-9-29(27,36)18(19)5-8-28(26,35)12-16/h10,14,16-20,22-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1", "name": "Antioside", "names": [ "Antiogenin 3-O-alpha-L-rhamnoside", "Antioside" ] }, { "compound_id": "C08849", "inchi": "InChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1", "name": "Asclepin", "names": [ "Asclepin" ] }, { "compound_id": "C08850", "inchi": "InChI=1S/C29H42O10/c1-13-22(32)23(33)24(34)25(37-13)38-16-4-6-26(2)15(9-16)10-20-29(39-20)18(26)11-19(30)27(3)17(5-7-28(27,29)35)14-8-21(31)36-12-14/h8,13,15-20,22-25,30,32-35H,4-7,9-12H2,1-3H3/t13-,15-,16+,17-,18-,19-,20+,22-,23-,24-,25+,26+,27+,28-,29-/m1/s1", "name": "Aspecioside", "names": [ "Aspecioside" ] }, { "compound_id": "C08851", "inchi": "InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19+,21+,22+,23+,24+,25-,26+,27+,28-,29-/m0/s1", "name": "Bipindoside", "names": [ "Bipindoside" ] }, { "compound_id": "C08852", "inchi": "InChI=1S/C26H32O8/c1-22-11-18(28)21-17(26(22,30)8-6-16(22)14-3-4-20(29)31-12-14)5-7-24-10-15-9-19(25(21,24)13-27)33-23(2,32-15)34-24/h3-4,12-13,15-19,21,28,30H,5-11H2,1-2H3/t15-,16+,17+,18+,19+,21+,22+,23-,24-,25+,26-/m0/s1", "name": "Bryophyllin A", "names": [ "Bryophyllin A" ] }, { "compound_id": "C08853", "inchi": "InChI=1S/C32H42O12/c1-16-12-22(43-17(2)34)25(36)28(42-16)44-19-6-9-30(15-33)24-21(7-10-31(30,39)13-19)32(40)11-8-20(18-4-5-23(35)41-14-18)29(32,3)27(38)26(24)37/h4-5,14-16,19-22,24-26,28,36-37,39-40H,6-13H2,1-3H3/t16-,19+,20-,21-,22-,24-,25+,26+,28+,29+,30+,31+,32+/m1/s1", "name": "Bryotoxin A", "names": [ "Bryotoxin A" ] }, { "compound_id": "C08854", "inchi": "InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23-,25+,26-,27-,28+,29+/m1/s1", "name": "Calactin", "names": [ "Calactin" ] }, { "compound_id": "C08855", "inchi": "InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1", "name": "Calotropin", "names": [ "Calotropin" ] }, { "compound_id": "C08856", "inchi": "InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25+,26+,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40-,41+,42-/m0/s1", "name": "Thevetin B", "names": [ "Thevetin B" ] }, { "compound_id": "C08857", "inchi": "InChI=1S/C32H44O11/c1-15-24(36)26(38-4)27(41-16(2)34)29(40-15)42-19-7-9-31(14-33)18(12-19)5-6-21-23(31)25-28(43-25)30(3)20(8-10-32(21,30)37)17-11-22(35)39-13-17/h11,14-15,18-21,23-29,36-37H,5-10,12-13H2,1-4H3/t15-,18+,19-,20+,21+,23+,24-,25-,26+,27-,28-,29-,30-,31+,32-/m0/s1", "name": "Cerbertin", "names": [ "Cerbertin" ] }, { "compound_id": "C08858", "inchi": "InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1", "name": "Convallatoxin", "names": [ "Convallatoxin", "Strophanthidin 3-O-alpha-L-rhamnoside" ] }, { "compound_id": "C08859", "inchi": "InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1", "name": "Cymarin", "names": [ "Cymarin", "Strophanthidin 3-O-beta-D-cymaroside" ] }, { "compound_id": "C08860", "inchi": "InChI=1S/C30H42O9/c1-15-25(32)21(36-4)13-23(38-15)39-18-7-9-28(2)17(12-18)5-6-20-24(28)26(33)27(34)29(3)19(8-10-30(20,29)35)16-11-22(31)37-14-16/h11,15,17-21,23,25,32-33,35H,5-10,12-14H2,1-4H3/t15-,17+,18-,19+,20+,21-,23-,25-,28-,29-,30-/m0/s1", "name": "Decoside", "names": [ "Decogenin 3-O-alpha-L-oleandroside", "Decoside" ] }, { "compound_id": "C08861", "inchi": "InChI=1S/C41H64O15/c1-18-36(48)26(42)13-33(51-18)55-38-20(3)53-34(15-28(38)44)56-37-19(2)52-32(14-27(37)43)54-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(46)40(5)35(21-10-31(47)50-17-21)29(45)16-41(24,40)49/h10,18-20,22-30,32-38,42-46,48-49H,6-9,11-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25+,26+,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1", "name": "Diginatin", "names": [ "Diginatigenin 3-O-tridigitoxoside", "Diginatin" ] }, { "compound_id": "C08862", "inchi": "InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1", "name": "Digitalin", "names": [ "Digitalin", "Gitoxigenin 3-O-glucosyldigitaloside" ] }, { "compound_id": "C08863", "inchi": "InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18+,19-,20+,21+,22+,23-,25-,26+,27-,28-,29+,30-/m0/s1", "name": "Divaricoside", "names": [ "Divaricoside", "Divaside", "Sarmentogenin 3-O-alpha-L-oleandroside" ] }, { "compound_id": "C08864", "inchi": "InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18+,19-,20+,21+,22+,23-,25-,26+,27+,28-,29+,30-/m0/s1", "name": "Divostroside", "names": [ "Divostroside", "Sarmentogenin 3-O-alpha-L-diginoside" ] }, { "compound_id": "C08865", "inchi": "InChI=1S/C29H38O11/c1-12-6-18(30)29(35)24(37-12)38-16-8-14-9-19-28(40-19)22(25(14,2)10-17(16)39-29)21(32)23(33)26(3)15(4-5-27(26,28)34)13-7-20(31)36-11-13/h7,12,14-19,21-22,24,30,32,34-35H,4-6,8-11H2,1-3H3/t12-,14-,15-,16-,17-,18-,19+,21+,22-,24+,25+,26+,27-,28+,29+/m1/s1", "name": "Eriocarpin", "names": [ "Eriocarpin" ] }, { "compound_id": "C08866", "inchi": "InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25+,26-,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1", "name": "Gitoxin", "names": [ "Gitoxigenin 3-O-tridigitoxoside", "Gitoxin" ] }, { "compound_id": "C08867", "inchi": "InChI=1S/C26H34O7/c1-16(28)33-18-5-10-24(15-27)20-6-9-23(2)19(17-3-4-22(29)32-14-17)8-12-26(23,31)21(20)7-11-25(24,30)13-18/h3-4,14-15,18-21,30-31H,5-13H2,1-2H3/t18-,19+,20-,21+,23+,24-,25-,26-/m0/s1", "name": "Hellebrigenin 3-acetate", "names": [ "Hellebrigenin 3-acetate" ] }, { "compound_id": "C08868", "inchi": "InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3/t17-,19-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-/m0/s1", "name": "Hellebrin", "names": [ "Hellebrigenin 3-O-glucosylrhamnoside", "Hellebrin" ] }, { "compound_id": "C08869", "inchi": "InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1", "name": "Helveticoside", "names": [ "Helveticoside", "Strophanthidin 3-O-beta-D-digitoxoside" ] }, { "compound_id": "C08870", "inchi": "InChI=1S/C29H36O11/c1-12-6-18(30)29(35)24(37-12)38-16-8-14-9-19-28(40-19)22(25(14,2)10-17(16)39-29)21(32)23(33)26(3)15(4-5-27(26,28)34)13-7-20(31)36-11-13/h7,12,14-17,19,21-22,24,32,34-35H,4-6,8-11H2,1-3H3/t12-,14-,15-,16-,17-,19+,21+,22-,24+,25+,26+,27-,28+,29+/m1/s1", "name": "Labriformidin", "names": [ "Labriformidin" ] }, { "compound_id": "C08871", "inchi": "InChI=1/C31H39NO10S/c1-14-11-29(32-6-7-43-29)31(37)25(39-14)40-18-9-16-10-20-30(42-20)23(26(16,2)12-19(18)41-31)22(34)24(35)27(3)17(4-5-28(27,30)36)15-8-21(33)38-13-15/h6,8,14,16-20,22-23,25,34,36-37H,4-5,7,9-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,22+,23-,25+,26+,27+,28-,29?,30+,31-/m1/s1", "name": "Labriformin", "names": [ "Labriformin" ] }, { "compound_id": "C08872", "inchi": "InChI=1S/C32H44O12/c1-17(34)25(37)26(38)27(39)28(40)43-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(36)42-15-19)9-13-32(29,41)23(22)8-12-31(30,14-20)44-18(2)35/h4-5,15-17,20-23,25-27,34,37-39,41H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,29+,30-,31-,32-/m0/s1", "name": "Lanceotoxin A", "names": [ "Lanceotoxin A" ] }, { "compound_id": "C08873", "inchi": "InChI=1S/C32H44O11/c1-17-25(36)26(37)27(38)28(41-17)42-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(35)40-15-19)9-13-32(29,39)23(22)8-12-31(30,14-20)43-18(2)34/h4-5,15-17,20-23,25-28,36-39H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,28-,29+,30-,31-,32-/m0/s1", "name": "Lanceotoxin B", "names": [ "Lanceotoxin B" ] }, { "compound_id": "C08874", "inchi": "InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19+,21+,22-,23+,24+,25-,26+,27+,28-,29-/m0/s1", "name": "Lokundjoside", "names": [ "Bipindogenin 3-O-alpha-L-rhamnoside", "Cuspidoside", "Lokundjoside" ] }, { "compound_id": "C08875", "inchi": "InChI=1S/C30H44O10/c1-14-22(32)25(37-4)24(34)27(39-14)40-17-7-9-28(2)16(12-17)5-6-19-21(28)23(33)26(35)29(3)18(8-10-30(19,29)36)15-11-20(31)38-13-15/h11,14,16-19,21-22,24-27,32,34-36H,5-10,12-13H2,1-4H3/t14-,16-,17+,18-,19-,21-,22+,24-,25+,26-,27+,28+,29+,30+/m1/s1", "name": "Musaroside", "names": [ "Musaroside", "Sarmutogenin 3-O-beta-D-digitaloside" ] }, { "compound_id": "C08876", "inchi": "InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1", "name": "Neriifolin", "names": [ "Digitoxigenin 3-(alpha-L-thevetoside)", "Neriifolin" ] }, { "compound_id": "C08877", "inchi": "InChI=1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16+,17-,18+,19+,20+,22+,23-,24+,25+,26-,27-,28+,29-/m0/s1", "name": "Rhodexin A", "names": [ "Rhodexin A", "Sarmentogenin 3-O-alpha-L-rhamnoside" ] }, { "compound_id": "C08878", "inchi": "InChI=1S/C29H44O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,14,16-19,21-25,30-31,33-37H,3-8,10-13H2,1-2H3/t14-,16-,17+,18+,19+,21+,22+,23+,24+,25-,26+,27-,28-,29-/m0/s1", "name": "Sarmentoloside", "names": [ "Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)", "Sarmentoloside" ] }, { "compound_id": "C08879", "inchi": "InChI=1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17-,20-,21+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1", "name": "Scillaren A", "names": [ "Scillaren A", "Scillarenin 3-O-glucosylrhamnoside" ] }, { "compound_id": "C08880", "inchi": "InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1", "name": "Scilliroside", "names": [ "Scilliroside", "Scillirosidin 3-O-beta-D-glucoside" ] }, { "compound_id": "C08881", "inchi": "InChI=1S/C42H64O19/c1-19-35(60-38-34(51)32(49)36(27(16-44)59-38)61-37-33(50)31(48)30(47)26(15-43)58-37)25(54-3)13-29(56-19)57-21-4-9-40(18-45)23-5-8-39(2)22(20-12-28(46)55-17-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43-44,47-53H,4-11,13-17H2,1-3H3/t19-,21+,22-,23+,24-,25+,26-,27-,29+,30-,31+,32-,33-,34-,35?,36?,37?,38?,39-,40+,41+,42+/m1/s1", "name": "k-Strophanthoside", "names": [ "Strophanthidin 3-diglucosylcymarose", "k-Strophanthoside" ] }, { "compound_id": "C08882", "inchi": "InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25+,26+,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40+,41+,42-/m0/s1", "name": "Thevetin A", "names": [ "Cannogenin 3-O-gentiobiosylthevetoside", "Thevetin A" ] }, { "compound_id": "C08883", "inchi": "InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-22,25,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,25+,26-,27-,28+,29+/m1/s1", "name": "Uscharidin", "names": [ "Uscharidin" ] }, { "compound_id": "C08884", "inchi": "InChI=1S/C30H44O10/c1-16-26(34)22(37-3)11-24(39-16)40-18-4-8-28(15-31)19-5-7-27(2)25(17-10-23(33)38-14-17)21(32)13-30(27,36)20(19)6-9-29(28,35)12-18/h10,15-16,18-22,24-26,32,34-36H,4-9,11-14H2,1-3H3/t16-,18+,19+,20-,21+,22-,24+,25+,26+,27-,28+,29+,30+/m1/s1", "name": "Vernadigin", "names": [ "Strophadogenin 3-O-beta-D-diginoside", "Vernadigin" ] }, { "compound_id": "C08885", "inchi": "InChI=1S/C33H52O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)12-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)8-9-31(18,3)21(20)13-25(35)32(22,26)4/h16-24,26-30,34,36-38H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24-,26+,27+,28+,29-,30-,31+,32-,33-/m1/s1", "name": "Agavoside A", "names": [ "Agavoside A" ] }, { "compound_id": "C08886", "inchi": "InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1", "name": "Asparagoside A", "names": [ "(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside", "Asparagoside A" ] }, { "compound_id": "C08887", "inchi": "InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-46-40(63)37(60)34(57)29(17-53)69-46)41(64)42(30(18-54)70-47)71-45-39(62)35(58)32(55)21(2)66-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42?,43?,44+,45?,46?,47+,48-,49-,50-,51-/m0/s1", "name": "Avenacoside A", "names": [ "Avenacoside A" ] }, { "compound_id": "C08888", "inchi": "InChI=1S/C57H92O28/c1-21-33-28(84-57(21)13-12-54(3,85-57)20-74-49-41(69)39(67)35(63)29(16-58)77-49)15-27-25-7-6-23-14-24(8-10-55(23,4)26(25)9-11-56(27,33)5)76-53-48(44(72)46(32(19-61)80-53)81-50-42(70)38(66)34(62)22(2)75-50)83-52-45(73)47(37(65)31(18-60)79-52)82-51-43(71)40(68)36(64)30(17-59)78-51/h6,21-22,24-53,58-73H,7-20H2,1-5H3/t21-,22-,24-,25+,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46?,47-,48?,49+,50?,51-,52?,53+,54-,55-,56-,57-/m0/s1", "name": "Avenacoside B", "names": [ "Avenacoside B" ] }, { "compound_id": "C08889", "inchi": "InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)7-10-63(85)22(2)36-29(98-63)12-26-24-6-5-23-11-28(27(70)13-62(23,4)25(24)8-9-61(26,36)3)87-59-50(84)52(40(74)33(17-67)91-59)95-58-49(83)45(79)51(35(19-69)93-58)94-60-54(97-57-48(82)44(78)39(73)32(16-66)90-57)53(41(75)34(18-68)92-60)96-56-47(81)43(77)38(72)31(15-65)89-56/h21-60,64-85H,5-20H2,1-4H3/t21-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48-,49-,50-,51+,52+,53+,54?,55-,56+,57?,58+,59-,60+,61+,62+,63-/m1/s1", "name": "Capsicoside A", "names": [ "Capsicoside A" ] }, { "compound_id": "C08890", "inchi": "InChI=1S/C27H44O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-6-9-26(30)13-17(28)11-22(29)25(26,4)19(18)7-8-24(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1", "name": "Convallagenin A", "names": [ "Convallagenin A" ] }, { "compound_id": "C08891", "inchi": "InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1", "name": "Convallamarogenin", "names": [ "Convallamarogenin" ] }, { "compound_id": "C08892", "inchi": "InChI=1S/C57H94O27/c1-20(19-74-50-44(69)40(65)37(62)31(17-58)79-50)10-13-57(73)21(2)34-30(84-57)16-29-27-9-8-25-14-26(78-51-47(72)43(68)48(24(5)77-51)82-53-46(71)41(66)38(63)32(18-59)80-53)15-33(56(25,7)28(27)11-12-55(29,34)6)81-54-49(42(67)36(61)23(4)76-54)83-52-45(70)39(64)35(60)22(3)75-52/h21-54,58-73H,1,8-19H2,2-7H3/t21-,22-,23+,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49?,50+,51-,52?,53-,54-,55-,56-,57+/m0/s1", "name": "Convallamaroside", "names": [ "Convallamaroside" ] }, { "compound_id": "C08893", "inchi": "InChI=1S/C32H52O9/c1-16-5-10-32(39-14-16)17(2)25-23(41-32)12-21-19-6-9-31(37)13-18(40-28-27(36)26(35)22(33)15-38-28)11-24(34)30(31,4)20(19)7-8-29(21,25)3/h16-28,33-37H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+/m0/s1", "name": "Convallasaponin A", "names": [ "Convallasaponin A" ] }, { "compound_id": "C08894", "inchi": "InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38?,39?,40?,41?,42-,43+,44+,45-/m1/s1", "name": "Deltonin", "names": [ "Deltonin" ] }, { "compound_id": "C08895", "inchi": "InChI=1S/C51H84O23/c1-20(19-66-45-39(61)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-40(62)36(58)33(55)22(3)67-46)42(64)43(31(18-54)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42+,43?,44?,45-,46?,47?,48-,49+,50+,51-/m1/s1", "name": "Deltoside", "names": [ "Deltoside" ] }, { "compound_id": "C08896", "inchi": "InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-/m1/s1", "name": "Digitogenin", "names": [ "Digitogenin" ] }, { "compound_id": "C08897", "inchi": "InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38?,39?,40?,41?,42-,43+,44+,45-/m1/s1", "name": "Dioscin", "names": [ "Dioscin" ] }, { "compound_id": "C08898", "inchi": "InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1", "name": "Diosgenin", "names": [ "Diosgenin" ] }, { "compound_id": "C08899", "inchi": "InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/s1", "name": "Gitogenin", "names": [ "Gitogenin" ] }, { "compound_id": "C08900", "inchi": "InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24+,25-,26-,27-,28+,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41+,42+,43?,44+,45-,46?,47+,48+,49+,50-/m1/s1", "name": "Gitonin", "names": [ "Gitonin" ] }, { "compound_id": "C08901", "inchi": "InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39?,40?,41+,42-,43+,44+,45-/m1/s1", "name": "Gracillin", "names": [ "Gracillin" ] }, { "compound_id": "C08902", "inchi": "InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1", "name": "Hecogenin", "names": [ "Hecogenin" ] }, { "compound_id": "C08904", "inchi": "InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39?,40-,41?,42-,43+,44+,45-/m1/s1", "name": "Officinalisnin I", "names": [ "Officinalisnin I" ] }, { "compound_id": "C08905", "inchi": "InChI=1S/C45H74O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h18-27,29-43,46,48-55H,7-17H2,1-6H3/t18-,19+,20+,21+,22+,23+,24?,25+,26+,27-,29?,30-,31+,32+,33-,34-,35-,36+,37-,38-,39?,40-,41?,42+,43-,44-,45-/m1/s1", "name": "Osladin", "names": [ "Osladin" ] }, { "compound_id": "C08906", "inchi": "InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3/t20-,21-,22-,23+,24-,25+,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42-,43?,44?,45+,46?,47?,48+,49-,50-,51+/m0/s1", "name": "Parillin", "names": [ "Parillin" ] }, { "compound_id": "C08907", "inchi": "InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43?,44?,45-,46?,47?,48-,49+,50+,51-/m1/s1", "name": "Protodioscin", "names": [ "Protodioscin" ] }, { "compound_id": "C08908", "inchi": "InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44?,45-,46?,47+,48-,49+,50+,51-/m1/s1", "name": "Protogracillin", "names": [ "Protogracillin" ] }, { "compound_id": "C08909", "inchi": "InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "Ruscogenin", "names": [ "Ruscogenin" ] }, { "compound_id": "C08910", "inchi": "InChI=1S/C50H80O23/c1-19(17-65-44-39(61)37(59)35(57)29(15-51)69-44)8-11-50(64)20(2)32-28(73-50)14-26-24-7-6-22-12-23(13-31(54)49(22,5)25(24)9-10-48(26,32)4)68-47-43(34(56)27(53)18-66-47)72-46-41(63)42(33(55)21(3)67-46)71-45-40(62)38(60)36(58)30(16-52)70-45/h6,20-21,23-47,51-64H,1,7-18H2,2-5H3/t20-,21-,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+,37-,38-,39+,40+,41+,42?,43?,44+,45?,46?,47-,48-,49-,50+/m0/s1", "name": "Ruscoside", "names": [ "Ruscoside" ] }, { "compound_id": "C08911", "inchi": "InChI=1S/C57H96O28/c1-21(19-75-50-43(69)40(66)36(62)30(16-58)79-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)78-54-49(84-53-46(72)42(68)38(64)32(18-60)81-53)47(73)48(83-52-45(71)39(65)35(61)23(3)77-52)33(82-54)20-76-51-44(70)41(67)37(63)31(17-59)80-51/h21-54,58-74H,6-20H2,1-5H3/t21-,22-,23-,24+,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47-,48?,49?,50+,51+,52?,53?,54+,55-,56-,57+/m0/s1", "name": "Sarsaparilloside", "names": [ "Sarsaparilloside" ] }, { "compound_id": "C08912", "inchi": "InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-36(53)34(51)32(49)28(16-46)58-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38?,39?,40?,41?,42+,43-,44-,45+/m0/s1", "name": "Sarsasapogenin 3-O-4G-rhamnosylsophoroside", "names": [ "Sarsasapogenin 3-O-4G-rhamnosylsophoroside" ] }, { "compound_id": "C08913", "inchi": "InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1", "name": "Smilagenin", "names": [ "(25R)-5beta-Spirostan-3beta-ol", "Smilagenin" ] }, { "compound_id": "C08914", "inchi": "InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1", "name": "Tigogenin", "names": [ "5-alpha-Spirostan-3-beta-ol", "Tigogenin" ] }, { "compound_id": "C08915", "inchi": "InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-43(70)40(67)45(33(18-60)78-50)79-53-48(47(38(65)32(17-59)77-53)81-49-41(68)35(62)28(61)20-72-49)82-52-44(71)46(37(64)31(16-58)76-52)80-51-42(69)39(66)36(63)30(15-57)75-51/h21-53,57-71H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28-,29+,30-,31-,32-,33-,34+,35+,36-,37+,38-,39+,40-,41-,42-,43-,44-,45+,46+,47+,48?,49+,50-,51+,52?,53+,54+,55+,56-/m1/s1", "name": "Tigonin", "names": [ "Tigonin" ] }, { "compound_id": "C08916", "inchi": "InChI=1S/C32H52O9/c1-15-7-10-32(39-13-15)16(2)24-23(41-32)12-20-18-6-5-17-11-21(33)26(36)28(31(17,4)19(18)8-9-30(20,24)3)40-29-27(37)25(35)22(34)14-38-29/h15-29,33-37H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29+,30+,31+,32-/m1/s1", "name": "Tokoronin", "names": [ "Tokoronin" ] }, { "compound_id": "C08917", "inchi": "InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43?,44?,45+,46?,47?,48+,49-,50-,51+/m0/s1", "name": "Trigonelloside C", "names": [ "Asparasaponin I", "Trigonelloside C" ] }, { "compound_id": "C08918", "inchi": "InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1", "name": "Yamogenin", "names": [ "Yamogenin" ] }, { "compound_id": "C08919", "inchi": "InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34?,35?,36+,37-,38-,39+/m0/s1", "name": "Yamogenin 3-O-neohesperidoside", "names": [ "Yamogenin 3-O-neohesperidoside" ] }, { "compound_id": "C08920", "inchi": "InChI=1S/C36H54O10/c1-18-6-7-21(44-29(18)41)19(2)20-10-12-33(4)23-8-9-24-34(5,31(42)43)25(46-30-28(40)27(39)26(38)22(16-37)45-30)11-13-35(24)17-36(23,35)15-14-32(20,33)3/h6,19-28,30,37-40H,7-17H2,1-5H3,(H,42,43)/t19-,20?,21-,22+,23-,24-,25-,26+,27-,28+,30-,32+,33-,34-,35+,36-/m0/s1", "name": "Abrusoside A", "names": [ "Abrusoside A" ] }, { "compound_id": "C08921", "inchi": "InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40?,41?,42-,43-,44-,47?,48?,49+,51-,52+,53+,54+,55-/m0/s1", "name": "Aescin", "names": [ "Aescin", "Escin" ] }, { "compound_id": "C08922", "inchi": "InChI=1S/C38H61NO8/c1-21(41)39-28-30(43)29(42)24(20-40)46-31(28)47-27-12-13-35(6)25(34(27,4)5)11-14-37(8)26(35)10-9-22-23-19-33(2,3)15-17-38(23,32(44)45)18-16-36(22,37)7/h9,23-31,40,42-43H,10-20H2,1-8H3,(H,39,41)(H,44,45)/t23-,24+,25-,26+,27-,28+,29+,30+,31-,35-,36+,37+,38-/m0/s1", "name": "Aridanin", "names": [ "Aridanin" ] }, { "compound_id": "C08923", "inchi": "InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-40-36(58)34(56)31(53)25(20-50)62-40)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-37(59)38(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-59H,9-21H2,1-7H3/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,45-,46+,47+,48-/m0/s1", "name": "Arvensoside A", "names": [ "Arvensoside A" ] }, { "compound_id": "C08924", "inchi": "InChI=1S/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30?,31-,32-,33?,34-,37+,38-,39+,40-,41+/m0/s1", "name": "Astragaloside III", "names": [ "Astragaloside III" ] }, { "compound_id": "C08925", "inchi": "InChI=1S/C47H78O18/c1-20-28(51)31(54)33(56)38(60-20)64-35-29(52)22(50)18-59-40(35)63-26-10-12-47-19-46(47)14-13-43(6)36(45(8)11-9-27(65-45)42(4,5)58)21(49)16-44(43,7)25(46)15-23(37(47)41(26,2)3)61-39-34(57)32(55)30(53)24(17-48)62-39/h20-40,48-58H,9-19H2,1-8H3/t20-,21-,22+,23?,24+,25-,26-,27-,28-,29-,30+,31+,32-,33+,34+,35?,36-,37-,38?,39?,40-,43+,44-,45+,46-,47+/m0/s1", "name": "Astrasieversianin XVI", "names": [ "Astrasieversianin XVI" ] }, { "compound_id": "C08926", "inchi": "InChI=1S/C55H83NO21/c1-49(23-59)17-32-51(3,19-36(49)74-45(69)25-10-8-9-11-26(25)56-7)33(61)18-54(6)53(5)15-12-30-50(2,31(53)16-35-55(32,54)77-35)14-13-34(52(30,4)24-60)75-48-44(76-47-43(68)41(66)38(63)28(21-58)72-47)39(64)29(22-70-48)73-46-42(67)40(65)37(62)27(20-57)71-46/h8-11,23,27-44,46-48,56-58,60-68H,12-22,24H2,1-7H3/t27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42-,43-,44?,46+,47?,48+,49+,50+,51+,52+,53-,54+,55-/m1/s1", "name": "Avenacin A-1", "names": [ "Avenacin A-1" ] }, { "compound_id": "C08927", "inchi": "InChI=1S/C54H80O20/c1-48(2)29-13-16-52(6)30(17-34-54(74-34)31-18-49(3,24-57)35(71-44(66)25-11-9-8-10-12-25)20-51(31,5)32(58)19-53(52,54)7)50(29,4)15-14-33(48)72-47-43(73-46-42(65)40(63)37(60)27(22-56)69-46)38(61)28(23-67-47)70-45-41(64)39(62)36(59)26(21-55)68-45/h8-12,24,26-43,45-47,55-56,58-65H,13-23H2,1-7H3/t26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41-,42-,43?,45+,46?,47+,49+,50+,51+,52-,53+,54-/m1/s1", "name": "Avenacin B-2", "names": [ "Avenacin B-2" ] }, { "compound_id": "C08928", "inchi": "InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25+,32-/m0/s1", "name": "Mulberrofuran C", "names": [ "Mulberrofuran C" ] }, { "compound_id": "C08929", "inchi": "InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)14(18-2)11(12)16/h4-7,16H,1-3H3", "name": "alpha-Pyrufuran", "names": [ "1,3,4-Trimethoxy-2-dibenzofuranol", "alpha-Pyrufuran" ] }, { "compound_id": "C08930", "inchi": "InChI=1S/C42H66O15/c1-37-13-14-38(2,36(52)53)17-21(37)20-7-8-24-39(3)11-10-25(40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32?,34?,35+,37+,38+,39-,40+,41+,42+/m0/s1", "name": "Azukisaponin III", "names": [ "Azukisaponin III" ] }, { "compound_id": "C08931", "inchi": "InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1", "name": "Barringtogenol C", "names": [ "Barringtogenol C" ] }, { "compound_id": "C08932", "inchi": "InChI=1S/C42H68O15/c1-37(2)11-13-42(36(52)53)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)57-35-31(51)29(49)32(24(18-44)55-35)56-34-30(50)28(48)27(47)23(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32?,33-,34?,35-,38-,39-,40+,41+,42-/m0/s1", "name": "Bayogenin 3-O-cellobioside", "names": [ "Bayogenin 3-O-cellobioside" ] }, { "compound_id": "C08933", "inchi": "InChI=1S/C55H86O25/c1-22(59)80-55-21-50(2,3)14-11-23(55)24(60)17-54(8)30(55)10-9-29-52(6)15-13-31(51(4,5)28(52)12-16-53(29,54)7)75-49-43(78-47-39(68)36(65)33(62)26(19-57)73-47)40(69)41(44(79-49)45(70)71)76-48-42(37(66)34(63)27(20-58)74-48)77-46-38(67)35(64)32(61)25(18-56)72-46/h10,23,25-29,31-44,46-49,56-58,61-69H,9,11-21H2,1-8H3,(H,70,71)/t23-,25-,26-,27-,28+,29-,31+,32-,33+,34+,35+,36+,37+,38-,39-,40+,41?,42?,43?,44+,46?,47?,48?,49-,52+,53-,54-,55+/m1/s1", "name": "Camellidin I", "names": [ "Camellidin I" ] }, { "compound_id": "C08934", "inchi": "InChI=1S/C53H84O24/c1-48(2)13-10-21-22(57)16-52(7)28(53(21,69)20-48)9-8-27-50(5)14-12-29(49(3,4)26(50)11-15-51(27,52)6)73-47-42(77-45-37(65)34(62)31(59)24(18-55)71-45)39(38(66)40(75-47)43(67)68)74-46-41(35(63)32(60)25(19-56)72-46)76-44-36(64)33(61)30(58)23(17-54)70-44/h9,21,23-27,29-42,44-47,54-56,58-66,69H,8,10-20H2,1-7H3,(H,67,68)/t21-,23-,24-,25-,26+,27-,29+,30-,31+,32+,33+,34+,35+,36-,37-,38+,39+,40+,41?,42?,44?,45?,46+,47-,50+,51-,52-,53+/m1/s1", "name": "Camellidin II", "names": [ "Camellidin II" ] }, { "compound_id": "C08935", "inchi": "InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23+,24-,25+,26+,27-,28+,29?,30?,32+,33-,34?,35-,36+,37?/m1/s1", "name": "Cimicifugoside", "names": [ "Cimicifugoside" ] }, { "compound_id": "C08936", "inchi": "InChI=1S/C48H76O18/c1-22(2)15-24-16-46(8,57)39-25-9-10-30-44(6)13-12-31(43(4,5)29(44)11-14-45(30,7)47(25)20-48(39,66-24)60-21-47)63-41-38(61-23(3)50)36(27(52)19-59-41)64-42-37(34(55)33(54)28(17-49)62-42)65-40-35(56)32(53)26(51)18-58-40/h15,24-42,49,51-57H,9-14,16-21H2,1-8H3/t24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37?,38+,39-,40?,41-,42-,44-,45+,46-,47-,48-/m0/s1", "name": "Colubrin", "names": [ "Colubrin" ] }, { "compound_id": "C08937", "inchi": "InChI=1S/C50H78O19/c1-23(2)16-26-17-48(9,59)41-27-10-11-32-46(7)14-13-33(45(5,6)31(46)12-15-47(32,8)49(27)21-50(41,69-26)62-22-49)66-44-40(64-25(4)53)37(29(55)20-61-44)67-43-36(58)39(38(63-24(3)52)30(18-51)65-43)68-42-35(57)34(56)28(54)19-60-42/h16,26-44,51,54-59H,10-15,17-22H2,1-9H3/t26-,27+,28+,29-,30+,31-,32+,33-,34-,35+,36+,37-,38+,39+,40+,41-,42-,43-,44-,46-,47+,48-,49-,50-/m0/s1", "name": "Colubrinoside", "names": [ "Colubrinoside" ] }, { "compound_id": "C08938", "inchi": "InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45?,46?,47?,48+,49?,50+,51+,53+,54+,55-,56+,57-,58+/m1/s1", "name": "Cyclamin", "names": [ "Cyclamin" ] }, { "compound_id": "C08939", "inchi": "InChI=1S/C47H80O18/c1-21(8-11-28(50)42(3,4)59)30-24(63-41-38(58)35(55)33(53)25(64-41)18-61-39-37(57)34(54)31(51)22(2)62-39)16-45(7)27-10-9-26-43(5,20-48)29(65-40-36(56)32(52)23(49)17-60-40)12-13-46(26)19-47(27,46)15-14-44(30,45)6/h21-41,48-59H,8-20H2,1-7H3/t21-,22+,23+,24+,25-,26+,27+,28+,29+,30?,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41-,43-,44-,45+,46-,47+/m1/s1", "name": "Cyclofoetoside B", "names": [ "Cyclofoetoside B" ] }, { "compound_id": "C08940", "inchi": "InChI=1S/C45H72O16/c1-40(2)14-15-45(39(54)55)22(16-40)21-8-9-27-42(5)12-11-29(41(3,4)26(42)10-13-43(27,6)44(21,7)17-28(45)49)59-37-34(31(51)24(47)19-57-37)61-38-35(32(52)25(48)20-58-38)60-36-33(53)30(50)23(46)18-56-36/h8,22-38,46-53H,9-20H2,1-7H3,(H,54,55)/t22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33+,34?,35?,36?,37-,38?,42-,43+,44+,45+/m0/s1", "name": "Desglucomusennin", "names": [ "Desglucomusennin" ] }, { "compound_id": "C08941", "inchi": "InChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-32(50)30(48)28(46)23(19-44)55-34)16-14-39(4)20(21(42)17-37)7-8-24-38(3)11-10-26(41(6,35(51)52)25(38)9-12-40(24,39)5)56-33-31(49)29(47)27(45)22(18-43)54-33/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,38+,39+,40+,41-,42-/m0/s1", "name": "Dianoside A", "names": [ "Dianoside A" ] }, { "compound_id": "C08942", "inchi": "InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1", "name": "Echinocystic acid", "names": [ "Echinocystic acid" ] }, { "compound_id": "C08943", "inchi": "InChI=1S/C41H64O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-27,29-34,42-43,45-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,29+,30-,31+,32?,33?,34-,38-,39+,40+,41-/m0/s1", "name": "Flaccidin B", "names": [ "Flaccidin B" ] }, { "compound_id": "C08944", "inchi": "InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25?,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39?,40-,41?,42-,43?,45+,46+,47+,48-/m0/s1", "name": "Ginsenoside Re", "names": [ "Ginsenoside Re" ] }, { "compound_id": "C08945", "inchi": "InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23?,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34?,35-,36?,37?,39+,40+,41+,42-/m0/s1", "name": "Ginsenoside Rf", "names": [ "Ginsenoside Rf" ] }, { "compound_id": "C08946", "inchi": "InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23?,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36?,37-,39+,40+,41+,42-/m0/s1", "name": "Ginsenoside Rg1", "names": [ "Ginsenoside Rg1", "Sanchinoside C1" ] }, { "compound_id": "C08947", "inchi": "InChI=1S/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h10-11,24-34,37,44,46-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1", "name": "Gymnemic acid I", "names": [ "Gymnemic acid I" ] }, { "compound_id": "C08948", "inchi": "InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)11(16)14(12)18-2/h4-7,16H,1-3H3", "name": "beta-Pyrufuran", "names": [ "1,2,4-Trimethoxy-3-dibenzofuranol", "beta-Pyrufuran" ] }, { "compound_id": "C08949", "inchi": "InChI=1S/C47H78O18/c1-23(2)8-7-14-47(59,22-61-40-37(57)35(55)33(53)27(18-48)62-40)25-11-15-44(5)24(25)9-10-30-45(44,6)16-12-29-43(3,4)31(13-17-46(29,30)21-50)64-42-39(32(52)26(51)20-60-42)65-41-38(58)36(56)34(54)28(19-49)63-41/h8,21,24-42,48-49,51-59H,7,9-20,22H2,1-6H3/t24-,25+,26+,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39?,40-,41?,42+,44-,45-,46-,47-/m1/s1", "name": "Gypenoside XXV", "names": [ "Gypenoside XXV" ] }, { "compound_id": "C08950", "inchi": "InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1", "name": "Gypsogenin", "names": [ "Gypsogenin" ] }, { "compound_id": "C08951", "inchi": "InChI=1S/C24H28O7/c1-7-10(4)18(26)17-22(30)12(6)21(29)16-15-20(28)11(5)19(27)14(13(25)8-9(2)3)23(15)31-24(16)17/h9-10,27-30H,7-8H2,1-6H3", "name": "Pseudorhodomyrtoxin", "names": [ "Pseudorhodomyrtoxin", "psi-Rhodomyrtoxin" ] }, { "compound_id": "C08952", "inchi": "InChI=1S/C42H64O14/c1-20-26(44)27(45)28(46)34(53-20)55-31-29(47)32(33(49)50)56-35(30(31)48)54-25-11-12-38(4)23(39(25,5)19-43)10-13-41(7)24(38)9-8-21-22-18-37(2,3)14-16-42(22,36(51)52)17-15-40(21,41)6/h8,19-20,22-32,34-35,44-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t20-,22-,23+,24+,25-,26-,27+,28+,29-,30+,31-,32-,34-,35+,38-,39-,40+,41+,42-/m0/s1", "name": "Gypsogenin 3-O-rhamnosylglucuronide", "names": [ "Gypsogenin 3-O-rhamnosylglucuronide" ] }, { "compound_id": "C08953", "inchi": "InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1", "name": "Hederagenin 3-O-arabinoside", "names": [ "Cauloside A", "Hederagenin 3-O-arabinoside" ] }, { "compound_id": "C08954", "inchi": "InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32?,33?,34-,37-,38-,39+,40+,41-/m0/s1", "name": "alpha-Hederin", "names": [ "alpha-Hederin" ] }, { "compound_id": "C08955", "inchi": "InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32?,33?,34-,38-,39+,40+,41-/m0/s1", "name": "beta-Hederin", "names": [ "beta-Hederin" ] }, { "compound_id": "C08956", "inchi": "InChI=1S/C53H86O21/c1-22-32(56)35(59)38(62)44(69-22)74-42-33(57)23(2)70-46(40(42)64)73-41-27(21-68-43-37(61)34(58)26(54)20-67-43)71-45(39(63)36(41)60)72-31-13-14-50(7)28(49(31,5)6)12-15-51(8)29(50)11-10-24-25-18-48(3,4)16-17-53(25,47(65)66)30(55)19-52(24,51)9/h10,22-23,25-46,54-64H,11-21H2,1-9H3,(H,65,66)/t22-,23-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41?,42?,43-,44?,45-,46?,50-,51+,52+,53+/m0/s1", "name": "Helianthoside A", "names": [ "Helianthoside A" ] }, { "compound_id": "C08957", "inchi": "InChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(18-36)41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,22+,23-,24+,25-,27-,28+,29-,32-,33+,34+,35-/m0/s1", "name": "Ilexolide A", "names": [ "Ilexolide A" ] }, { "compound_id": "C08958", "inchi": "InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-36(58)38(66-40-35(57)33(55)31(53)25(20-50)62-40)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37?,38+,39?,40-,41-,45-,46+,47+,48-/m0/s1", "name": "Lemmatoxin", "names": [ "Lemmatoxin" ] }, { "compound_id": "C08959", "inchi": "InChI=1S/C48H76O21/c1-43(2)11-13-48(42(62)63)14-12-45(4)20(21(48)15-43)7-8-26-44(3)16-22(51)37(47(6,41(60)61)27(44)9-10-46(26,45)5)69-40-35(59)36(30(54)24(18-50)66-40)68-39-34(58)32(56)29(53)25(67-39)19-64-38-33(57)31(55)28(52)23(17-49)65-38/h7,21-40,49-59H,8-19H2,1-6H3,(H,60,61)(H,62,63)/t21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39-,40-,44+,45+,46+,47-,48-/m0/s1", "name": "Medicagenic acid 3-O-triglucoside", "names": [ "Medicagenic acid 3-O-triglucoside" ] }, { "compound_id": "C08960", "inchi": "InChI=1S/C51H82O21/c1-46(2)14-15-51(45(63)64)23(16-46)22-8-9-29-48(5)12-11-31(47(3,4)28(48)10-13-49(29,6)50(22,7)17-30(51)56)69-43-39(32(57)24(53)19-66-43)72-44-40(33(58)25(54)20-67-44)71-41-37(62)38(26(55)21-65-41)70-42-36(61)35(60)34(59)27(18-52)68-42/h8,23-44,52-62H,9-21H2,1-7H3,(H,63,64)/t23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39?,40?,41?,42-,43-,44?,48-,49+,50+,51+/m0/s1", "name": "Musennin", "names": [ "Musennin" ] }, { "compound_id": "C08961", "inchi": "InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24+,25?,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38?,39-,40?,41-,42?,44+,45+,46+,47-/m0/s1", "name": "Notoginsenoside R1", "names": [ "Notoginsenoside R1" ] }, { "compound_id": "C08962", "inchi": "InChI=1S/C48H76O18/c1-21-28(50)30(52)33(55)39(61-21)64-36-32(54)35(57)41(65-37(36)38(58)59)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-34(56)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34+,35+,36?,37-,39?,40-,41+,45-,46+,47+,48-/m0/s1", "name": "Olaxoside", "names": [ "Olaxoside" ] }, { "compound_id": "C08963", "inchi": "InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-38(66-40-35(57)33(55)31(53)25(20-50)62-40)36(58)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37?,38?,39?,40?,41-,45-,46+,47+,48-/m0/s1", "name": "Oleanoglycotoxin-A", "names": [ "Oleanoglycotoxin-A" ] }, { "compound_id": "C08964", "inchi": "InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1", "name": "Oleanoic acid 3-O-glucuronide", "names": [ "Oleanoic acid 3-O-glucuronide", "Silphioside F" ] }, { "compound_id": "C08965", "inchi": "InChI=1S/C29H44O3/c1-24(2)19-9-12-27(5)20(26(19,4)11-10-22(24)30)8-7-17-18-15-25(3)13-14-29(18,23(31)32)21(25)16-28(17,27)6/h7,18-22,30H,8-16H2,1-6H3,(H,31,32)/t18-,19-,20+,21-,22-,25+,26-,27+,28+,29+/m0/s1", "name": "Pfaffic acid", "names": [ "Pfaffic acid" ] }, { "compound_id": "C08966", "inchi": "InChI=1S/C40H60O13/c1-35(2)21-9-12-38(5)22(8-7-18-19-15-36(3)13-14-40(19,34(48)49)23(36)16-39(18,38)6)37(21,4)11-10-24(35)51-33-30(27(44)26(43)29(52-33)31(46)47)53-32-28(45)25(42)20(41)17-50-32/h7,19-30,32-33,41-45H,8-17H2,1-6H3,(H,46,47)(H,48,49)/t19-,20+,21-,22+,23-,24-,25-,26-,27-,28+,29-,30?,32?,33+,36+,37-,38+,39+,40+/m0/s1", "name": "Pfaffoside A", "names": [ "Pfaffoside A" ] }, { "compound_id": "C08967", "inchi": "InChI=1S/C65H104O31/c1-25-35(70)39(74)43(78)54(87-25)86-23-31-38(73)41(76)52(96-55-44(79)40(75)37(72)29(20-66)88-55)59(90-31)92-48-30(21-67)89-56(45(80)42(48)77)95-51-36(71)28(69)22-85-58(51)93-49-46(81)50(53(83)84)94-57(47(49)82)91-34-12-13-62(5)32(63(34,6)24-68)11-14-65(8)33(62)10-9-26-27-19-60(2,3)15-16-61(27,4)17-18-64(26,65)7/h9,17-18,25,27-52,54-59,66-82H,10-16,19-24H2,1-8H3,(H,83,84)/t25-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,46-,47+,48-,49-,50-,51?,52?,54+,55?,56?,57+,58-,59-,61+,62-,63+,64+,65+/m0/s1", "name": "Phaseoloside D", "names": [ "Phaseoloside D" ] }, { "compound_id": "C08968", "inchi": "InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1", "name": "Phytolaccoside B", "names": [ "Esculentoside B", "Phytolaccoside B" ] }, { "compound_id": "C08969", "inchi": "InChI=1S/C41H68O13/c1-19-31(54-34-29(47)27(45)22(43)17-51-34)28(46)30(48)35(52-19)53-26-12-13-38(6)23(37(26,4)5)11-14-39(7)24(38)10-9-20-21-15-36(2,3)32(49)33(50)41(21,18-42)16-25(44)40(20,39)8/h9,19,21-35,42-50H,10-18H2,1-8H3/t19-,21-,22-,23-,24+,25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,38-,39+,40-,41-/m0/s1", "name": "Pittoside A", "names": [ "Pittoside A" ] }, { "compound_id": "C08970", "inchi": "InChI=1S/C54H88O23/c1-22-30(58)33(61)36(64)44(70-22)76-41-35(63)32(60)24(20-56)72-46(41)74-39-38(66)40(43(67)68)75-47(42(39)77-45-37(65)34(62)31(59)23(19-55)71-45)73-29-11-12-50(6)25(49(29,4)5)9-13-51(7)26(50)10-14-54-27-17-48(2,3)15-16-53(27,21-69-54)28(57)18-52(51,54)8/h22-42,44-47,55-66H,9-21H2,1-8H3,(H,67,68)/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,44-,45-,46-,47+,50-,51+,52-,53+,54-/m0/s1", "name": "Primulasaponin", "names": [ "Primulasaponin" ] }, { "compound_id": "C08971", "inchi": "InChI=1S/C30H44O5/c1-25(2)15-18-17-14-19(31)23-27(5)10-9-21(32)26(3,4)20(27)8-11-29(23,7)28(17,6)12-13-30(18,24(34)35)16-22(25)33/h14,18-20,23,31H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,19+,20-,23+,27-,28+,29+,30+/m0/s1", "name": "Propapyriogenin A2", "names": [ "Propapyriogenin A2" ] }, { "compound_id": "C08972", "inchi": "InChI=1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1", "name": "Quillaic acid", "names": [ "Quillaic acid" ] }, { "compound_id": "C08973", "inchi": "InChI=1S/C54H88O26S/c1-49(2)14-16-54(17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(80-81(69,70)71)50(3,4)29(51)10-13-53(30,52)7)48(68)79-46-42(67)38(63)35(60)28(77-46)22-73-47-43(39(64)33(58)26(20-56)75-47)78-45-41(66)37(62)34(59)27(76-45)21-72-44-40(65)36(61)32(57)25(19-55)74-44/h8,24-47,55-67H,9-22H2,1-7H3,(H,69,70,71)/p-1/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43?,44+,45?,46-,47+,51-,52+,53+,54-/m0/s1", "name": "Rotundioside B", "names": [ "Rotundioside B" ] }, { "compound_id": "C08974", "inchi": "InChI=1S/C16H14O5/c1-19-10-3-4-11(12(17)7-10)15-6-9-5-13(18)16(20-2)8-14(9)21-15/h3-8,17-18H,1-2H3", "name": "Sainfuran", "names": [ "Sainfuran" ] }, { "compound_id": "C08975", "inchi": "InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1", "name": "Saikosaponin A", "names": [ "Saikosaponin A" ] }, { "compound_id": "C08976", "inchi": "InChI=1S/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3/t22-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39?,40+,41?,42-,45-,46+,47+,48+/m0/s1", "name": "Saikosaponin BK1", "names": [ "Saikosaponin BK1" ] }, { "compound_id": "C08977", "inchi": "InChI=1S/C87H138O49/c1-28-42(94)49(101)55(107)73(120-28)134-68-65(130-79-66(132-75-57(109)51(103)46(98)36(22-89)124-75)48(100)38(26-119-79)126-71-53(105)43(95)33(92)24-117-71)61(113)78(135-69(68)70(114)115)127-41-13-14-83(6)39(84(41,7)27-91)12-15-86(9)40(83)11-10-31-32-20-82(4,5)16-18-87(32,19-17-85(31,86)8)81(116)136-77-60(112)64(63(30(3)121-77)129-72-54(106)44(96)34(93)25-118-72)131-80-67(133-76-58(110)52(104)47(99)37(23-90)125-76)59(111)62(29(2)122-80)128-74-56(108)50(102)45(97)35(21-88)123-74/h10,27-30,32-69,71-80,88-90,92-113H,11-26H2,1-9H3,(H,114,115)/t28-,29-,30+,32-,33-,34+,35+,36+,37+,38?,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62?,63-,64?,65+,66?,67+,68?,69-,71?,72-,73?,74?,75?,76-,77-,78+,79-,80?,83-,84+,85+,86+,87-/m0/s1", "name": "Saponoside D", "names": [ "Saponoside D" ] }, { "compound_id": "C08978", "inchi": "InChI=1S/C70H104O32/c1-29-54(99-58-49(82)45(78)39(27-92-58)97-60-50(83)46(79)43(76)37(25-71)95-60)48(81)52(85)59(93-29)100-56-53(86)55(98-42(75)15-11-31-10-13-35(90-8)36(22-31)91-9)30(2)94-62(56)102-64(89)69-19-18-65(3,4)23-33(69)32-12-14-40-66(5)24-34(74)57(101-61-51(84)47(80)44(77)38(26-72)96-61)68(7,63(87)88)41(66)16-17-67(40,6)70(32,28-73)21-20-69/h10-13,15,22,29-30,33-34,37-41,43-62,71-74,76-86H,14,16-21,23-28H2,1-9H3,(H,87,88)/b15-11+/t29-,30+,33-,34-,37+,38+,39?,40+,41+,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+,53-,54?,55-,56+,57-,58?,59-,60?,61-,62-,66+,67+,68-,69-,70-/m0/s1", "name": "Senegin II", "names": [ "Senegin II" ] }, { "compound_id": "C08979", "inchi": "InChI=1S/C13H14O3/c1-7(2)13-12(15)10-6-9(8(3)14)4-5-11(10)16-13/h4-6,12-13,15H,1H2,2-3H3/t12-,13+/m1/s1", "name": "Toxol", "names": [ "Toxol" ] }, { "compound_id": "C08980", "inchi": "InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1", "name": "Soyasapogenol B", "names": [ "24-Hydroxysophoradiol", "Soyasapogenol B" ] }, { "compound_id": "C08981", "inchi": "InChI=1S/C18H20O4/c1-6-11(4)18(20)22-17-14-9-13(12(5)19)7-8-15(14)21-16(17)10(2)3/h6-9,16-17H,2H2,1,3-5H3/b11-6-/t16-,17+/m0/s1", "name": "Toxyl angelate", "names": [ "Toxyl angelate" ] }, { "compound_id": "C08982", "inchi": "InChI=1S/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)/t23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44?,45?,46-,47+,49-,50-,51?,52?,53+,55+,56-,57+,58+,59+/m0/s1", "name": "Soyasaponin A1", "names": [ "Soyasaponin A1" ] }, { "compound_id": "C08983", "inchi": "InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37?,38?,40?,41?,42+,44+,45-,46+,47+,48+/m0/s1", "name": "Soyasaponin I", "names": [ "Soyasaponin I" ] }, { "compound_id": "C08984", "inchi": "InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1", "name": "Spinasaponin A", "names": [ "Spinasaponin A" ] }, { "compound_id": "C08985", "inchi": "InChI=1S/C42H70O14/c1-20(2)7-8-22(45)21(3)29-23(46)15-40(6)27-10-9-26-38(4,19-53-36-34(51)32(49)30(47)24(16-43)54-36)28(56-37-35(52)33(50)31(48)25(17-44)55-37)11-12-41(26)18-42(27,41)14-13-39(29,40)5/h7,21-37,43-52H,8-19H2,1-6H3/t21-,22+,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40+,41-,42+/m1/s1", "name": "Thalicoside A", "names": [ "Thalicoside A" ] }, { "compound_id": "C08986", "inchi": "InChI=1S/C59H92O27/c1-10-24(2)49(76)86-46-47(79-25(3)63)59(23-62)27(17-54(46,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)66)81-53-45(85-52-44(36(68)29(65)21-78-52)84-50-39(71)35(67)28(64)20-77-50)42(41(73)43(83-53)48(74)75)82-51-40(72)38(70)37(69)30(19-60)80-51/h10-11,27-47,50-53,60-62,64-73H,12-23H2,1-9H3,(H,74,75)/b24-10-/t27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44?,45?,46-,47-,50?,51-,52?,53+,55-,56-,57+,58+,59-/m0/s1", "name": "Theasaponin", "names": [ "Theasaponin" ] }, { "compound_id": "C08987", "inchi": "InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28-,29-,30+,31-,32+,33-,34+,35+,38-,39-,40+,41-,42-,43+,44+,45+,46-,47?,48?,49?,50-,51?,52?,53?,54-,55-,58-,59-,60-,61+,62+,63?/m0/s1", "name": "Tubeimoside I", "names": [ "Tubeimoside I" ] }, { "compound_id": "C08988", "inchi": "InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1", "name": "Ursolic acid", "names": [ "Ursolic acid" ] }, { "compound_id": "C08989", "inchi": "InChI=1S/C59H96O27/c1-22-33(65)36(68)40(72)49(78-22)83-45-28(63)20-77-48(43(45)75)82-44-24(3)80-50(42(74)39(44)71)84-46-38(70)34(66)23(2)79-52(46)86-53(76)59-15-14-54(4,5)16-26(59)25-10-11-31-55(6)17-27(62)47(85-51-41(73)37(69)35(67)29(19-60)81-51)56(7,21-61)30(55)12-13-57(31,8)58(25,9)18-32(59)64/h10,22-24,26-52,60-75H,11-21H2,1-9H3/t22-,23+,24-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41+,42+,43+,44?,45-,46+,47-,48?,49-,50-,51-,52-,55-,56-,57+,58+,59?/m0/s1", "name": "Virgaureasaponin I", "names": [ "Virgaureasaponin I" ] }, { "compound_id": "C08990", "inchi": "InChI=1S/C43H68O15/c1-38(2)25-10-13-42(6)26(9-8-21-22-18-39(3,37(53)54-7)14-16-43(22,36(51)52)17-15-41(21,42)5)40(25,4)12-11-27(38)57-34-32(50)30(48)33(24(20-45)56-34)58-35-31(49)29(47)28(46)23(19-44)55-35/h8,22-35,44-50H,9-20H2,1-7H3,(H,51,52)/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,35-,39-,40-,41+,42+,43-/m0/s1", "name": "Yiamoloside B", "names": [ "Yiamoloside B" ] }, { "compound_id": "C08991", "inchi": "InChI=1S/C51H80O18/c1-23(2)18-28-19-49(11,69-45-41(65-27(6)53)40(64-26(5)52)35(55)25(4)63-45)42-29-12-13-32-47(9)16-15-33(46(7,8)31(47)14-17-48(32,10)50(29)21-51(42,68-28)61-22-50)67-43-38(58)36(56)30(20-60-43)66-44-39(59)37(57)34(54)24(3)62-44/h18,24-25,28-45,54-59H,12-17,19-22H2,1-11H3/t24-,25-,28-,29+,30?,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44?,45?,47-,48+,49-,50-,51-/m0/s1", "name": "Ziziphin", "names": [ "Ziziphin" ] }, { "compound_id": "C08992", "inchi": "InChI=1S/C13H14O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-6,13H,1,7H2,2-3H3/t13-/m1/s1", "name": "Tremetone", "names": [ "Tremetone" ] }, { "compound_id": "C08993", "inchi": "InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3", "name": "Vignafuran", "names": [ "Vignafuran" ] }, { "compound_id": "C08994", "inchi": "InChI=1S/C19H22O9/c1-7-3-10(22)14(19-17(26)16(25)15(24)12(6-20)28-19)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,12,15-17,19-20,22,24-26H,4,6H2,1-2H3/t12-,15-,16+,17-,19+/m1/s1", "name": "Aloesin", "names": [ "Aloesin" ] }, { "compound_id": "C08995", "inchi": "InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3", "name": "Aurasperone D", "names": [ "Aurasperone D" ] }, { "compound_id": "C08996", "inchi": "InChI=1S/C16H18O9/c1-5-2-6(18)10-8(24-5)3-7(19)11(13(10)21)16-15(23)14(22)12(20)9(4-17)25-16/h2-3,9,12,14-17,19-23H,4H2,1H3/t9-,12-,14+,15-,16+/m1/s1", "name": "Biflorin", "names": [ "Biflorin" ] }, { "compound_id": "C08997", "inchi": "InChI=1S/C26H30O8/c1-7-8-17(28)19-22(31)15(21(30)14-9-10-26(4,5)34-25(14)19)11-16-23(32)18(13(3)27)20(29)12(2)24(16)33-6/h9-10,29-32H,7-8,11H2,1-6H3", "name": "Butyrylmallotochromene", "names": [ "1-Butanone, 1-(6-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-", "Butyrylmallotochromene" ] }, { "compound_id": "C08998", "inchi": "InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3", "name": "Cannabichromene", "names": [ "Cannabichromene" ] }, { "compound_id": "C08999", "inchi": "InChI=1S/C16H12O7/c1-21-16-11(19)6-12-14(15(16)20)10(18)7-13(23-12)22-9-4-2-8(17)3-5-9/h2-7,17,19-20H,1H3", "name": "Capillarisin", "names": [ "Capillarisin" ] }, { "compound_id": "C09000", "inchi": "InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1", "name": "Cimifugin", "names": [ "Cimifugin" ] }, { "compound_id": "C09001", "inchi": "InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H", "name": "5,7-Dihydroxychromone", "names": [ "5,7-Dihydroxychromone" ] }, { "compound_id": "C09002", "inchi": "InChI=1S/C20H22O4/c1-11(2)6-7-14-18-13(8-9-20(4,5)24-18)17(22)16-15(21)10-12(3)23-19(14)16/h6,8-10,22H,7H2,1-5H3", "name": "8-(3,3-Dimethylallyl)spatheliachromene", "names": [ "8-(3,3-Dimethylallyl)spatheliachromene" ] }, { "compound_id": "C09003", "inchi": "InChI=1S/C17H20O3/c1-11(2)5-6-12-9-14(16(18)19)10-13-7-8-17(3,4)20-15(12)13/h5,7-10H,6H2,1-4H3,(H,18,19)", "name": "2,2-Dimethyl-8-prenylchromene 6-carboxylic acid", "names": [ "2,2-Dimethyl-8-prenylchromene 6-carboxylic acid" ] }, { "compound_id": "C09004", "inchi": "InChI=1S/C26H30O8/c1-7-15(27)17-20(30)13(19(29)12-9-10-25(3,4)34-22(12)17)11-14-21(31)18(16(28)8-2)24(33)26(5,6)23(14)32/h9-10,29-30,32-33H,7-8,11H2,1-6H3", "name": "Drummondin A", "names": [ "Drummondin A" ] }, { "compound_id": "C09005", "inchi": "InChI=1S/C14H16O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-8H,1-4H3", "name": "Encecalin", "names": [ "1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone", "Encecalin" ] }, { "compound_id": "C09006", "inchi": "InChI=1S/C13H14O3/c1-8(14)10-6-9-4-5-13(2,3)16-12(9)7-11(10)15/h4-7,15H,1-3H3", "name": "Eupatoriochromene", "names": [ "1-(7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone", "Eupatoriochromene" ] }, { "compound_id": "C09007", "inchi": "InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2", "name": "Flindersiachromone", "names": [ "2-(2-Phenylethyl)chromone", "Flindersiachromone" ] }, { "compound_id": "C09008", "inchi": "InChI=1S/C16H8O4/c17-14-9-5-1-3-7-11(9)19-15-10-6-2-4-8-12(10)20-16(18)13(14)15/h1-8H", "name": "Frutinone A", "names": [ "Frutinone A" ] }, { "compound_id": "C09009", "inchi": "InChI=1S/C26H30O8/c1-11(2)19(28)18-22(31)15(21(30)14-8-9-26(5,6)34-25(14)18)10-16-23(32)17(13(4)27)20(29)12(3)24(16)33-7/h8-9,11,29-32H,10H2,1-7H3", "name": "Isobutyrylmallotochromene", "names": [ "Isobutyrylmallotochromene" ] }, { "compound_id": "C09010", "inchi": "InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3", "name": "Khellin", "names": [ "Khellin" ] }, { "compound_id": "C09011", "inchi": "InChI=1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3/t13-,15-,16+,17-,19-/m1/s1", "name": "Khellol glucoside", "names": [ "Khellol glucoside", "Khelloside" ] }, { "compound_id": "C09012", "inchi": "InChI=1S/C11H10O4/c1-2-6-5-15-9-4-7(12)3-8(13)10(9)11(6)14/h3-5,12-13H,2H2,1H3", "name": "Lathodoratin", "names": [ "Lathodoratin" ] }, { "compound_id": "C09013", "inchi": "InChI=1S/C24H26O8/c1-10-18(27)16(11(2)25)21(30)15(22(10)31-6)9-14-19(28)13-7-8-24(4,5)32-23(13)17(12(3)26)20(14)29/h7-8,27-30H,9H2,1-6H3", "name": "Mallotochromene", "names": [ "Mallotochromene" ] }, { "compound_id": "C09014", "inchi": "InChI=1S/C16H16O4/c1-9-7-11(17)14-13(18-4)8-12-10(15(14)19-9)5-6-16(2,3)20-12/h5-8H,1-4H3", "name": "5-O-Methylalloptaeroxylin", "names": [ "5-O-Methylalloptaeroxylin", "Perforatin A" ] }, { "compound_id": "C09015", "inchi": "InChI=1S/C15H18O4/c1-9(16)11-8-10-6-7-15(2,3)19-12(10)14(18-5)13(11)17-4/h6-8H,1-5H3", "name": "Methylripariochromene A", "names": [ "Methylripariochromene A" ] }, { "compound_id": "C09016", "inchi": "InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1", "name": "5-O-Methylvisamminol", "names": [ "5-O-Methylvisamminol" ] }, { "compound_id": "C09017", "inchi": "InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3", "name": "Precocene I", "names": [ "Precocene 1", "Precocene I" ] }, { "compound_id": "C09018", "inchi": "InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3", "name": "Precocene II", "names": [ "Precocene 2", "Precocene II" ] }, { "compound_id": "C09019", "inchi": "InChI=1S/C21H26N2O2/c1-15(24)23-17-6-3-2-5-16(17)20-10-13-22-12-4-8-19(9-7-18(20)23)11-14-25-21(19,20)22/h2-3,5-6,18H,4,7-14H2,1H3/t18-,19-,20-,21+/m1/s1", "name": "1-Acetylaspidoalbidine", "names": [ "1-Acetylaspidoalbidine" ] }, { "compound_id": "C09020", "inchi": "InChI=1S/C22H20N2O7/c1-9-18-12(14(21(28)30-2)8-31-22(18)29)6-15-19-13(7-16(23-15)20(26)27)11-5-10(25)3-4-17(11)24(9)19/h3-5,7-9,12,18,22,25,29H,6H2,1-2H3,(H,26,27)/t9-,12-,18-,22+/m1/s1", "name": "Adifoline", "names": [ "Adifoline" ] }, { "compound_id": "C09021", "inchi": "InChI=1S/C20H24N2O2/c1-3-12-10-22(2)18-8-15-13-6-4-5-7-17(13)21-20(15)19(24)9-14(12)16(18)11-23/h3-7,14,16,18,21,23H,8-11H2,1-2H3/b12-3-/t14-,16+,18-/m1/s1", "name": "Affinine", "names": [ "17-Hydroxyvobasan-3-one", "Affinine" ] }, { "compound_id": "C09022", "inchi": "InChI=1S/C20H24N2O/c1-3-12-10-22-18-9-15-13-6-4-5-7-17(13)21(2)20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,23H,8-11H2,1-2H3/b12-3-/t14?,16-,18+,19+/m1/s1", "name": "Affinisine", "names": [ "Affinisine" ] }, { "compound_id": "C09023", "inchi": "InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1", "name": "Agroclavine", "names": [ "Agroclavine" ] }, { "compound_id": "C09024", "inchi": "InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1", "name": "Ajmalicine", "names": [ "Ajmalicine", "Raubasine" ] }, { "compound_id": "C09025", "inchi": "InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/b12-3-/t13-,16-,20+/m0/s1", "name": "Akuammicine", "names": [ "Akuammicine" ] }, { "compound_id": "C09026", "inchi": "InChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15?,17-,18-,21-/m0/s1", "name": "Akuammidine", "names": [ "Akuammidine", "Rhazin" ] }, { "compound_id": "C09027", "inchi": "InChI=1S/C22H26N2O4/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3/b13-4-/t15-,18+,20+,21?,22-/m1/s1", "name": "Akuammine", "names": [ "Akuammine" ] }, { "compound_id": "C09028", "inchi": "InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16-/m0/s1", "name": "Alstonine", "names": [ "Alstonine" ] }, { "compound_id": "C09029", "inchi": "InChI=1S/C15H14O5/c1-15(2)4-3-9-12(20-15)6-11(18)13-10(17)5-8(7-16)19-14(9)13/h3-6,16,18H,7H2,1-2H3", "name": "Ptaerochromenol", "names": [ "Ptaerochromenol" ] }, { "compound_id": "C09030", "inchi": "InChI=1S/C15H14O6/c1-8-4-10(17)13-12(21-8)5-11-9(14(13)18)2-3-15(19,6-16)7-20-11/h2-5,16,18-19H,6-7H2,1H3", "name": "Ptaeroglycol", "names": [ "Ptaeroglycol" ] }, { "compound_id": "C09031", "inchi": "InChI=1S/C20H22O4/c1-12(2)5-6-15-18-13(7-8-20(3,4)24-18)9-16-17(22)10-14(11-21)23-19(15)16/h5,7-10,21H,6,11H2,1-4H3", "name": "Pulverochromenol", "names": [ "Pulverochromenol" ] }, { "compound_id": "C09032", "inchi": "InChI=1S/C20H15N3O/c1-2-12-10-21-11-16-15(12)9-18-19-14(7-8-23(18)20(16)24)13-5-3-4-6-17(13)22-19/h2-6,9-11,22H,1,7-8H2", "name": "Angustine", "names": [ "Angustine" ] }, { "compound_id": "C09033", "inchi": "InChI=1S/C19H24N2O/c1-2-13(12-22)14-7-9-21-10-8-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1", "name": "Antirhine", "names": [ "Antirhine" ] }, { "compound_id": "C09034", "inchi": "InChI=1S/C21H22N2O4/c1-26-18(25)12-10-20-11-16(24)27-15(20)6-8-23-9-7-21(19(20)23)13-4-2-3-5-14(13)22-17(12)21/h2-5,15,19,22H,6-11H2,1H3/t15-,19-,20-,21-/m0/s1", "name": "Apodine", "names": [ "Apodine" ] }, { "compound_id": "C09035", "inchi": "InChI=1S/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+/m1/s1", "name": "Apovincamine", "names": [ "Apovincamine" ] }, { "compound_id": "C09036", "inchi": "InChI=1S/C18H20N2/c1-3-13-10-20-9-8-14(13)12(2)18-16(11-20)15-6-4-5-7-17(15)19-18/h3-7,14,19H,2,8-11H2,1H3/b13-3-/t14-/m1/s1", "name": "(-)-Apparicine", "names": [ "(-)-Apparicine" ] }, { "compound_id": "C09037", "inchi": "InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3/t12-,15-,17-,20-/m0/s1", "name": "Aricine", "names": [ "Aricine" ] }, { "compound_id": "C09038", "inchi": "InChI=1S/C24H32N2O5/c1-4-18(27)26-17-6-8-22-7-5-11-25-12-9-23(17,24(22,25)31-13-10-22)15-14-16(29-2)21(30-3)20(28)19(15)26/h14,17,28H,4-13H2,1-3H3/t17-,22-,23-,24+/m1/s1", "name": "Aspidoalbine", "names": [ "Aspidoalbine" ] }, { "compound_id": "C09039", "inchi": "InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3+/t15-,17+,19+,20+,21?/m1/s1", "name": "Aspidodasycarpine", "names": [ "Aspidodasycarpine" ] }, { "compound_id": "C09040", "inchi": "InChI=1S/C22H26N2O3/c1-27-18(26)16-13-20-7-4-11-23-12-10-21(19(20)23)15-5-2-3-6-17(15)24(14-25)22(16,21)9-8-20/h2-3,5-6,14,16,19H,4,7-13H2,1H3/t16-,19-,20+,21+,22+/m0/s1", "name": "Aspidofractine", "names": [ "Aspidofractine" ] }, { "compound_id": "C09041", "inchi": "InChI=1S/C21H26N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h4-7,14,18,20H,8-12H2,1-3H3/b15-4+/t14-,18-,20-,21-/m1/s1", "name": "Aspidospermatine", "names": [ "Aspidospermatine" ] }, { "compound_id": "C09042", "inchi": "InChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20-,21-,22-/m1/s1", "name": "Aspidospermine", "names": [ "Aspidospermine" ] }, { "compound_id": "C09043", "inchi": "InChI=1S/C33H42N4/c1-21-19-25-28(31(2,3)20-21)29(30-23(15-17-36(4)5)22-11-7-9-13-26(22)34-30)32-16-18-37(6)33(25,32)35-27-14-10-8-12-24(27)32/h7-14,19,25,28-29,34-35H,15-18,20H2,1-6H3/t25-,28-,29-,32+,33+/m0/s1", "name": "Auricularine", "names": [ "Auricularine" ] }, { "compound_id": "C09044", "inchi": "InChI=1S/C16H14O5/c1-7-4-10(17)15-13(21-7)5-9-8(2)12(20-3)6-11(18)14(9)16(15)19/h4-6,18-19H,1-3H3", "name": "Quinquangulin", "names": [ "Quinquangulin" ] }, { "compound_id": "C09045", "inchi": "InChI=1S/C21H24N2O4/c1-12(24)20-9-13(25)11-23-8-7-21(19(20)23)15-5-3-4-6-16(15)22-17(21)14(10-20)18(26)27-2/h3-6,12,19,22,24H,7-11H2,1-2H3/t12-,19-,20-,21-/m0/s1", "name": "Baloxine", "names": [ "Baloxine" ] }, { "compound_id": "C09046", "inchi": "InChI=1S/C23H24N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h5-6,8-9,11-12,14,16H,7,10H2,1-4H3/t12-,14-,16-/m0/s1", "name": "Bleekerine", "names": [ "Bleekerine" ] }, { "compound_id": "C09047", "inchi": "InChI=1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3", "name": "Rubrofusarin", "names": [ "Rubrofusarin" ] }, { "compound_id": "C09048", "inchi": "InChI=1S/C20H20O4/c1-11-10-14(21)15-17(22-11)12-6-8-19(2,3)23-16(12)13-7-9-20(4,5)24-18(13)15/h6-10H,1-5H3", "name": "Spathelia bischromene", "names": [ "2,2,6,6,10-Pentamethyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one", "Spathelia bischromene" ] }, { "compound_id": "C09049", "inchi": "InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3", "name": "Visnagin", "names": [ "Visnagin" ] }, { "compound_id": "C09050", "inchi": "InChI=1S/C35H40N4O3/c1-3-20-16-19-17-35(34(41)42-2)32-24(13-15-38(18-19)33(20)35)22-8-11-28(40)29(30(22)37-32)27-10-9-25-31-23(12-14-36-25)21-6-4-5-7-26(21)39(27)31/h4-8,11,19-20,25,27,33,36-37,40H,3,9-10,12-18H2,1-2H3/t19-,20-,25+,27+,33-,35+/m0/s1", "name": "Bonafousine", "names": [ "Bonafousine" ] }, { "compound_id": "C09051", "inchi": "InChI=1S/C20H24N2O/c1-5-20(4)11-14(10-13(2)3)22-19(20)18(23)16-12-21-17-9-7-6-8-15(16)17/h5-10,12,14,19,21-22H,1,11H2,2-4H3/t14-,19+,20+/m1/s1", "name": "Borrecapine", "names": [ "Borrecapine" ] }, { "compound_id": "C09052", "inchi": "InChI=1S/C17H18N2O/c1-4-17(3)9-11(2)19-16(17)15(20)13-10-18-14-8-6-5-7-12(13)14/h4-8,10,16,18H,1,9H2,2-3H3/t16-,17+/m1/s1", "name": "Borreline", "names": [ "Borreline" ] }, { "compound_id": "C09053", "inchi": "InChI=1S/C16H14O4/c1-9(2)3-4-10-11-5-6-13(17)20-16(11)14(18)15-12(10)7-8-19-15/h3,5-8,18H,4H2,1-2H3", "name": "Alloimperatorin", "names": [ "Alloimperatorin" ] }, { "compound_id": "C09054", "inchi": "InChI=1S/C16H20N2/c1-11(2)10-15-16-13(8-9-18(15)3)12-6-4-5-7-14(12)17-16/h4-7,10,15,17H,8-9H2,1-3H3", "name": "Borrerine", "names": [ "Borrerine" ] }, { "compound_id": "C09055", "inchi": "InChI=1S/C24H28O9/c1-13-19(27)20(32-15(3)26)24(12-30-14(2)25)18(5-4-7-22(24)11-31-22)23(13)9-17(33-21(23)28)16-6-8-29-10-16/h6,8,10,13,17-18,20H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,20+,22+,23-,24+/m1/s1", "name": "6-Acetylpicropolin", "names": [ "6-Acetylpicropolin" ] }, { "compound_id": "C09056", "inchi": "InChI=1S/C24H30O4/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-13-21-23(26)20-14-12-19(25)15-22(20)28-24(21)27/h7,9,11-12,14-15,25-26H,5-6,8,10,13H2,1-4H3/b17-9+,18-11+", "name": "Ammoresinol", "names": [ "Ammoresinol" ] }, { "compound_id": "C09057", "inchi": "InChI=1S/C20H32O2/c1-12-6-10-16(13(2)8-11-17-20(4,5)22-17)19(21)18-14(3)7-9-15(12)18/h7,13,16-19,21H,6,8-11H2,1-5H3/t13-,16+,17?,18-,19-/m1/s1", "name": "Acutilol A", "names": [ "Acutilol A" ] }, { "compound_id": "C09058", "inchi": "InChI=1S/C24H34O7/c1-15-10-20(31-17(3)26)24(14-29-16(2)25)19(6-5-8-23(24)13-30-23)22(15,4)9-7-18-11-21(27)28-12-18/h11,15,19-20H,5-10,12-14H2,1-4H3/t15-,19-,20+,22+,23+,24+/m1/s1", "name": "Ajugarin I", "names": [ "Ajugarin I" ] }, { "compound_id": "C09059", "inchi": "InChI=1/C21H24O7/c1-10-8-14(27-19(10)23)25-9-13-15-17(26-11(2)22)12-6-5-7-21(3,4)16(12)18(15)28-20(13)24/h8-9,14-15,17-18H,5-7H2,1-4H3/b13-9+/t14-,15-,17+,18-/m1/s1", "name": "Alectrol", "names": [ "Alectrol" ] }, { "compound_id": "C09060", "inchi": "InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H", "name": "Angelicin", "names": [ "Angelicin", "Isopsoralen" ] }, { "compound_id": "C09061", "inchi": "InChI=1S/C18H20O3/c1-10-4-3-5-12-13-6-7-18(21)9-17(13,8-11(18)2)15(14(10)12)16(19)20/h3-5,13,15,21H,2,6-9H2,1H3,(H,19,20)/t13-,15-,17+,18+/m1/s1", "name": "Allogibberic acid", "names": [ "Allogibberic acid" ] }, { "compound_id": "C09062", "inchi": "InChI=1S/C19H22O6/c1-8-9-3-5-18(14(8)21)10(7-9)12(15(22)23)13-17(2)11(20)4-6-19(13,18)25-16(17)24/h7,9,11-14,20-21H,1,3-6H2,2H3,(H,22,23)/t9-,11+,12-,13-,14+,17-,18-,19+/m1/s1", "name": "Antheridic acid", "names": [ "Antheridic acid", "Antheridiogen-An" ] }, { "compound_id": "C09063", "inchi": "InChI=1S/C23H36O6/c1-6-18(26)29-19-14-8-7-13-12(2)15-9-16(24)20(3,4)23(15,28)17(25)10-22(13,19)11-21(14,5)27/h13-17,19,24-25,27-28H,2,6-11H2,1,3-5H3/t13-,14+,15-,16-,17+,19-,21+,22-,23-/m0/s1", "name": "Asebotoxin II", "names": [ "Asebotoxin II" ] }, { "compound_id": "C09064", "inchi": "InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1", "name": "Atractyloside", "names": [ "Atractyloside" ] }, { "compound_id": "C09065", "inchi": "InChI=1S/C32H50O8/c1-6-7-8-9-10-11-12-13-14-15-22(34)39-30-17-20(3)31(37)21-16-19(2)25(35)32(21,38)27(36)29(18-33)26(40-29)23(31)24(30)28(30,4)5/h16,20-21,23-24,26-27,33,36-38H,6-15,17-18H2,1-5H3/t20-,21+,23-,24-,26+,27-,29+,30+,31+,32-/m1/s1", "name": "Baliospermin", "names": [ "Baliospermin" ] }, { "compound_id": "C09066", "inchi": "InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1", "name": "Cafestol", "names": [ "Cafestol" ] }, { "compound_id": "C09067", "inchi": "InChI=1S/C20H28O4/c1-17(2)7-6-8-19(5)13(17)9-12(21)11-10-20(18(3,4)23)16(24-20)15(22)14(11)19/h13,16,23H,6-10H2,1-5H3/t13-,16?,19-,20?/m0/s1", "name": "Callicarpone", "names": [ "Callicarpone" ] }, { "compound_id": "C09068", "inchi": "InChI=1S/C35H44O9/c1-7-20(2)31(39)43-19-32(6)29-26-14-25(18-42-23(5)36)17-33(40)27(13-21(3)30(33)38)35(26,41)22(4)16-34(29,32)44-28(37)15-24-11-9-8-10-12-24/h8-14,20,22,26-27,29,40-41H,7,15-19H2,1-6H3/t20?,22-,26+,27-,29-,32-,33-,34+,35-/m1/s1", "name": "Candletoxin A", "names": [ "Candletoxin A" ] }, { "compound_id": "C09069", "inchi": "InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1", "name": "Carnosol", "names": [ "Carnosol" ] }, { "compound_id": "C09070", "inchi": "InChI=1S/C26H36O9/c1-14-10-22(34-17(4)29)25(12-31-15(2)27)19(6-7-20(33-16(3)28)26(25)13-32-26)24(14,5)21-11-18-8-9-30-23(18)35-21/h8-9,14,18-23H,6-7,10-13H2,1-5H3/t14-,18-,19-,20-,21+,22+,23+,24+,25+,26-/m1/s1", "name": "Caryoptin", "names": [ "Caryoptin" ] }, { "compound_id": "C09071", "inchi": "InChI=1S/C22H32O7/c1-13-17(29-14(2)24)10-20(3)18(5-6-19(26)21(20,4)27)22(13,12-23)9-16(25)15-7-8-28-11-15/h7-8,11-13,16-19,25-27H,5-6,9-10H2,1-4H3/t13-,16?,17-,18+,19-,20-,21+,22-/m1/s1", "name": "Cascarillin", "names": [ "Cascarillin" ] }, { "compound_id": "C09072", "inchi": "InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20-/m1/s1", "name": "2,7,11-Cembratrien-4,6-diol", "names": [ "2,7,11-Cembratrien-4,6-diol" ] }, { "compound_id": "C09073", "inchi": "InChI=1S/C20H22O7/c1-18-7-11(9-4-6-24-8-9)25-16(21)10(18)3-5-19(2)14(18)12-13-15(26-13)20(19,23)17(22)27-12/h4,6,8,10-15,23H,3,5,7H2,1-2H3/t10-,11+,12+,13-,14-,15-,18+,19+,20-/m0/s1", "name": "Chasmanthin", "names": [ "Chasmanthin" ] }, { "compound_id": "C09074", "inchi": "InChI=1S/C31H42O12/c1-8-28(6,43-19(5)34)27(36)42-25-21(35)13-22-29(7,23-12-20-9-10-37-26(20)41-23)16(2)11-24(40-18(4)33)30(22,14-38-17(3)32)31(25)15-39-31/h9-11,20-26,35H,8,12-15H2,1-7H3/t20-,21-,22-,23+,24+,25+,26+,28-,29+,30+,31-/m1/s1", "name": "Clerodendrin A", "names": [ "Clerodendrin A" ] }, { "compound_id": "C09075", "inchi": "InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1", "name": "Clerodin", "names": [ "3-Deoxycaryoptinol", "Clerodin" ] }, { "compound_id": "C09076", "inchi": "InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1", "name": "Coleonol", "names": [ "Coleonol", "Colforsin", "Forskolin" ] }, { "compound_id": "C09077", "inchi": "InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14-,15-,18+,19+,20-/m0/s1", "name": "Columbin", "names": [ "Columbin" ] }, { "compound_id": "C09078", "inchi": "InChI=1S/C33H54O11/c1-17(2)19-8-10-31(4)12-21-20(9-11-33(21,38)16-40-7)18(3)25(35)29(24(19)31)43-30-27(37)26(36)28(22(42-30)13-39-6)44-32(5,15-34)23-14-41-23/h12,17-18,20,22-23,25-30,34-38H,8-11,13-16H2,1-7H3/b21-12+/t18-,20+,22-,23+,25-,26-,27-,28-,29-,30-,31-,32-,33+/m1/s1", "name": "Cotylenin F", "names": [ "Cotylenin F" ] }, { "compound_id": "C09079", "inchi": "InChI=1S/C20H30O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,12,15-16,21-22H,5-8,10-11H2,1-4H3/t15-,16-,19-,20-/m1/s1", "name": "Cyathin A3", "names": [ "Cyathin A3" ] }, { "compound_id": "C09080", "inchi": "InChI=1S/C27H30O8/c1-13(2)23-11-15(4)26-17-10-14(3)19(29)25(17,31)22(30)24(12-28)21(32-24)18(26)20(23)33-27(34-23,35-26)16-8-6-5-7-9-16/h5-10,15,17-18,20-22,28,30-31H,1,11-12H2,2-4H3/t15-,17-,18-,20-,21+,22-,23-,24+,25-,26+,27+/m1/s1", "name": "Daphnetoxin", "names": [ "Daphnetoxin" ] }, { "compound_id": "C09081", "inchi": "InChI=1S/C20H28O4/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3)15(18)14(16(20)22)24-17(19)23/h11-16,21-22H,1,4-9H2,2-3H3/t11-,12+,13+,14-,15+,16+,18+,19-,20+/m1/s1", "name": "7beta,12alpha-Dihydroxykaurenolide", "names": [ "7beta,12alpha-Dihydroxykaurenolide" ] }, { "compound_id": "C09082", "inchi": "InChI=1S/C32H40N4/c1-20-18-24-27(30(2,3)19-20)28(29-22(14-16-33-4)21-10-6-8-12-25(21)34-29)31-15-17-36(5)32(24,31)35-26-13-9-7-11-23(26)31/h6-13,18,24,27-28,33-35H,14-17,19H2,1-5H3/t24-,27-,28-,31+,32+/m0/s1", "name": "Borreverine", "names": [ "Borreverine" ] }, { "compound_id": "C09083", "inchi": "InChI=1S/C17H19N3/c1-11-17-16(12-6-3-4-7-14(12)19-17)13(10-18-11)15-8-5-9-20(15)2/h3-4,6-7,10,15,19H,5,8-9H2,1-2H3/t15-/m0/s1", "name": "Brevicolline", "names": [ "Brevicolline" ] }, { "compound_id": "C09084", "inchi": "InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1", "name": "Brucine", "names": [ "Brucine" ] }, { "compound_id": "C09085", "inchi": "InChI=1S/C40H48N4O2/c1-5-23-21-43(3)17-15-37-27-11-7-10-14-30(27)42-36-34-26-20-32-38(16-18-44(32,4)22-24(26)6-2)28-12-8-9-13-29(28)41(40(34,38)46)35(36)33(39(37,42)45)25(23)19-31(37)43/h5-14,25-26,31-36,45-46H,15-22H2,1-4H3/q+2/b23-5-,24-6-/t25-,26-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,43-,44-/m0/s1", "name": "Calebassone", "names": [ "C-Calebassine", "Calebassone" ] }, { "compound_id": "C09086", "inchi": "InChI=1S/C27H38O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h9-10,14,16,19-21,31-32H,8,11-13H2,1-7H3/t14?,16-,19+,20-,21-,25-,26+,27-/m1/s1", "name": "Diterpenoid EF-D", "names": [ "12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate", "Diterpenoid EF-D" ] }, { "compound_id": "C09087", "inchi": "InChI=1S/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17-,18-,19+,20+/m1/s1", "name": "Diterpenoid SP-II", "names": [ "Diterpenoid SP-II" ] }, { "compound_id": "C09088", "inchi": "InChI=1S/C42H48N4O5/c1-48-29-9-5-7-27-31(29)44-42-24-20-37-13-18-50-30(37)10-15-45(35(37)42)17-12-41(27,42)39(21-24)23-46-16-11-40-26-6-3-4-8-28(26)43-32(40)25(33(47)49-2)22-38(34(40)46)14-19-51-36(38)39/h3-9,24,30,34-36,43-44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38-,39+,40-,41-,42-/m0/s1", "name": "Callichiline", "names": [ "Callichiline" ] }, { "compound_id": "C09089", "inchi": "InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1", "name": "Calligonine", "names": [ "Calligonine", "Elaeagnine", "Tetrahydroharman" ] }, { "compound_id": "C09090", "inchi": "InChI=1S/C20H26O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14-,16-,19+,20-/m1/s1", "name": "Enmein", "names": [ "Enmein" ] }, { "compound_id": "C09091", "inchi": "InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-26(35)39-32-28(30(32,5)6)25-17-22(18-33)16-23-24(15-19(2)27(23)36)31(25,37)20(3)29(32)38-21(4)34/h9-15,17,20,23-25,28-29,33,37H,7-8,16,18H2,1-6H3/b10-9+,12-11+,14-13-/t20-,23+,24-,25+,28-,29-,31+,32-/m1/s1", "name": "Euphorbia factor Ti2", "names": [ "Euphorbia factor Ti2" ] }, { "compound_id": "C09092", "inchi": "InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1", "name": "Ferruginol", "names": [ "Ferruginol" ] }, { "compound_id": "C09093", "inchi": "InChI=1S/C26H42O8/c1-12(2)15-7-8-26(4)9-17-14(10-27)5-6-16(17)13(3)20(29)24(19(15)26)34-25-23(32)22(31)21(30)18(11-28)33-25/h9,12-14,16,18,20-25,27-32H,5-8,10-11H2,1-4H3/b17-9-/t13-,14-,16+,18-,20-,21-,22+,23-,24-,25-,26-/m1/s1", "name": "Fusicoccin H", "names": [ "Fusicoccin H" ] }, { "compound_id": "C09094", "inchi": "InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+", "name": "Geranylgeraniol", "names": [ "2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-", "Geranylgeraniol" ] }, { "compound_id": "C09095", "inchi": "InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26+,28-,29+,30-,31-,32+,33-,34+,35+,36+/m1/s1", "name": "Gnidicin", "names": [ "Gnidicin" ] }, { "compound_id": "C09096", "inchi": "InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h10-19,23,25,27,29-32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37+/m1/s1", "name": "Gnididin", "names": [ "Gnididin" ] }, { "compound_id": "C09097", "inchi": "InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3/t20-,21+,22+,23+/m1/s1", "name": "Calycanthidine", "names": [ "Calycanthidine" ] }, { "compound_id": "C09098", "inchi": "InChI=1S/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H", "name": "Canthin-6-one", "names": [ "6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one", "Canthin-6-one" ] }, { "compound_id": "C09099", "inchi": "InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1", "name": "Naringenin 7-O-beta-D-glucoside", "names": [ "Naringenin 7-O-beta-D-glucoside", "Prunin" ] }, { "compound_id": "C09100", "inchi": "InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1", "name": "Caracurine V", "names": [ "Caracurine V" ] }, { "compound_id": "C09101", "inchi": "InChI=1S/C37H48O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h12-14,16-17,19,23,25-26,28-30,32,38,41-42H,2,6-11,15,18,20H2,1,3-5H3/t23-,25-,26+,28-,29+,30-,32-,33+,34+,35-,36+,37+/m1/s1", "name": "Gnididilatin", "names": [ "Gnididilatin" ] }, { "compound_id": "C09102", "inchi": "InChI=1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3/b9-8+,11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37+/m1/s1", "name": "Gniditrin", "names": [ "Gniditrin" ] }, { "compound_id": "C09103", "inchi": "InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17+,19-,20-,21+,22+/m1/s1", "name": "Grayanotoxin I", "names": [ "Grayanotoxin I" ] }, { "compound_id": "C09104", "inchi": "InChI=1S/C19H22O6/c1-7(2)12-8-5-10-14-18(3,9(8)6-11(20)24-12)16-13(25-16)15(21)19(14,4)17(22)23-10/h6-7,10,13-16,21H,5H2,1-4H3/t10-,13+,14-,15+,16+,18-,19-/m1/s1", "name": "Hallactone A", "names": [ "Hallactone A" ] }, { "compound_id": "C09105", "inchi": "InChI=1S/C20H24O9S/c1-17-6-8-13(26-8)19(3)12(17)11(28-16(19)22)14-20(29-14)9(17)5-10(21)27-15(20)18(2,23)7-30(4,24)25/h5,8,11-15,23H,6-7H2,1-4H3/t8-,11-,12+,13-,14+,15+,17+,18-,19+,20-/m0/s1", "name": "Hallactone B", "names": [ "Hallactone B" ] }, { "compound_id": "C09106", "inchi": "InChI=1S/C23H28N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,11-14,20H,5-7,10H2,1-4H3,(H,24,27)/t12-,13-,14-,20-,23+/m0/s1", "name": "Carapanaubine", "names": [ "Carapanaubine" ] }, { "compound_id": "C09107", "inchi": "InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19-,21-/m1/s1", "name": "Catharanthine", "names": [ "Catharanthine" ] }, { "compound_id": "C09108", "inchi": "InChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24-,25-,27-,28+,29-,30-,31+,32+,33-,34+/m1/s1", "name": "Huratoxin", "names": [ "Huratoxin" ] }, { "compound_id": "C09109", "inchi": "InChI=1S/C20H30O7S/c1-17(9-10-26-28(23,24)25)7-8-20(22)13(12-17)11-14-15-18(2,16(21)27-14)5-4-6-19(15,20)3/h11,14-15,22H,4-10,12H2,1-3H3,(H,23,24,25)/p-1/t14-,15+,17-,18+,19+,20-/m1/s1", "name": "Hymatoxin A", "names": [ "Hymatoxin A" ] }, { "compound_id": "C09110", "inchi": "InChI=1S/C20H30O3/c1-6-18(4)10-13-14(21)11-20(23)15(8-7-9-17(20,2)3)19(13,5)16(22)12-18/h6,10,15-16,22-23H,1,7-9,11-12H2,2-5H3/t15-,16-,18-,19+,20+/m0/s1", "name": "Ineketone", "names": [ "Ineketone" ] }, { "compound_id": "C09111", "inchi": "InChI=1S/C24H32O7/c1-11-14-7-15(27)20-23(6)18(31-13(3)26)8-17(30-12(2)25)22(4,5)19(23)16(28)10-24(20,9-14)21(11)29/h14-15,17-20,27H,1,7-10H2,2-6H3/t14-,15-,17+,18-,19-,20+,23-,24+/m1/s1", "name": "Inflexin", "names": [ "Inflexin" ] }, { "compound_id": "C09112", "inchi": "InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12?,13-,14+,15+,16-,19?,20-/m1/s1", "name": "Ingenol", "names": [ "Ingenol" ] }, { "compound_id": "C09113", "inchi": "InChI=1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24?,25-,26+,27-,29+,33?,34+/m1/s1", "name": "Ingenol 3,20-dibenzoate", "names": [ "Ingenol 3,20-dibenzoate" ] }, { "compound_id": "C09114", "inchi": "InChI=1S/C24H30O13/c1-6(32-20-12(29)11(28)10(27)7(5-25)33-20)17-24-8(4-9(26)34-17)22(2)15-13(19(24)37-24)36-21(31)23(15,3)16(30)14-18(22)35-14/h4,6-7,10-20,25,27-30H,5H2,1-3H3/t6-,7+,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20+,22+,23+,24+/m0/s1", "name": "Inumakilactone A glycoside", "names": [ "Inumakilactone A glycoside" ] }, { "compound_id": "C09115", "inchi": "InChI=1S/C22H32O6/c1-10-12-6-7-13-21(5)14(8-16(25)22(13,18(10)26)19(12)27)20(3,4)17(9-15(21)24)28-11(2)23/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13-,14+,15-,16+,17-,19+,21-,22-/m0/s1", "name": "Isodomedin", "names": [ "Isodomedin" ] }, { "compound_id": "C09116", "inchi": "InChI=1S/C24H26O7/c1-7-14(4)23(27)31-24(5,6)22-21(30-18(26)12-13(2)3)19-16(28-22)10-8-15-9-11-17(25)29-20(15)19/h7-12,21-22H,1-6H3/b14-7+/t21-,22?/m1/s1", "name": "Archangelicin", "names": [ "Archangelicin" ] }, { "compound_id": "C09117", "inchi": "InChI=1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1", "name": "Isodonal", "names": [ "Isodonal" ] }, { "compound_id": "C09118", "inchi": "InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1", "name": "Isopimaric acid", "names": [ "Isopimaric acid" ] }, { "compound_id": "C09119", "inchi": "InChI=1S/C20H26O3/c1-11-6-13-8-12(2)15(21)9-16-19(3,4)10-17(22)20(16,5)18(23)14(13)7-11/h6,8,11,14,16H,7,9-10H2,1-5H3/b12-8-/t11-,14-,16+,20-/m0/s1", "name": "Jatrophatrione", "names": [ "Jatrophatrione" ] }, { "compound_id": "C09120", "inchi": "InChI=1S/C20H24O3/c1-12-8-15-9-13(2)16(21)6-7-19(4,5)11-17-14(3)18(22)20(15,10-12)23-17/h6-9,12H,10-11H2,1-5H3/b7-6+,13-9-/t12-,20+/m0/s1", "name": "Jatrophone", "names": [ "Jatrophone" ] }, { "compound_id": "C09121", "inchi": "InChI=1S/C24H32O8/c1-12-7-19(29-13(2)25)24-17(22(12,4)18-8-15-5-6-27-20(15)32-18)9-16(10-23(24)11-28-23)31-21(24)30-14(3)26/h5-6,12,15-21H,7-11H2,1-4H3/t12-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24?/m1/s1", "name": "Jodrellin A", "names": [ "Jodrellin A" ] }, { "compound_id": "C09122", "inchi": "InChI=1S/C38H42O14/c1-18-26(50-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,47)35(46)38(24,52-21(4)40)29(42)19(2)28-32(49-28)36(5,6)30(43)25(41)27(18)51-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3/t19-,24-,25+,26-,27-,28-,31+,32+,35-,37-,38+/m0/s1", "name": "Kansuinine B", "names": [ "Kansuinine B" ] }, { "compound_id": "C09123", "inchi": "InChI=1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3/t22-,23+/m1/s1", "name": "Athamantin", "names": [ "Athamantin" ] }, { "compound_id": "C09124", "inchi": "InChI=1S/C20H32O2/c1-7-19(5,22)11-10-16-14(2)8-9-17-18(3,4)12-15(21)13-20(16,17)6/h7,16-17,22H,1-2,8-13H2,3-6H3/t16-,17-,19+,20+/m0/s1", "name": "2-Ketoepimanool", "names": [ "2-Ketoepimanool" ] }, { "compound_id": "C09125", "inchi": "InChI=1S/C20H30O4/c1-10-6-7-13-14(19(13,4)5)8-11(2)18(23)20(24)9-12(3)17(22)15(20)16(10)21/h8,12-17,21-22,24H,1,6-7,9H2,2-5H3/b11-8+/t12-,13-,14+,15-,16+,17-,20+/m0/s1", "name": "Lathyrol", "names": [ "Lathyrol" ] }, { "compound_id": "C09126", "inchi": "InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1", "name": "Genistein 7-O-beta-D-glucoside", "names": [ "Genistein", "Genistein 7-O-beta-D-glucoside" ] }, { "compound_id": "C09127", "inchi": "InChI=1S/C36H52O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(38)43-34-21-24(3)35(41)25-20-23(2)29(39)36(25,42)31(40)33(22-37)30(44-33)27(35)28(34)32(34,4)5/h14-20,24-25,27-28,30-31,37,40-42H,6-13,21-22H2,1-5H3/b15-14+,17-16+,19-18+/t24-,25+,27-,28-,30+,31-,33+,34+,35+,36-/m1/s1", "name": "Mancinellin", "names": [ "Mancinellin" ] }, { "compound_id": "C09128", "inchi": "InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1", "name": "Marrubiin", "names": [ "Marrubiin" ] }, { "compound_id": "C09129", "inchi": "InChI=1S/C46H54N4O10/c1-8-28-21-29(53)24-45(41(54)58-6,37-31(15-19-49(25-28)26-51)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)57-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(60-27(3)52)46(39,56)42(55)59-7/h10-14,16,22-23,25-26,38-40,47,56H,8-9,15,17-21,24H2,1-7H3/b28-25-/t38-,39+,40+,43+,44+,45-,46-/m0/s1", "name": "Catharine", "names": [ "Catharine" ] }, { "compound_id": "C09130", "inchi": "InChI=1S/C19H16N2O2/c1-23-14-6-7-17-16(11-14)15-8-9-20-18(19(15)21-17)10-12-2-4-13(22)5-3-12/h2-9,11,21-22H,10H2,1H3", "name": "Ceceline", "names": [ "Ceceline" ] }, { "compound_id": "C09131", "inchi": "InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1", "name": "Chanoclavine-I", "names": [ "Chanoclavine-I" ] }, { "compound_id": "C09132", "inchi": "InChI=1S/C26H36O11/c1-24-8-15(29)20-12(3-5-35-20)13(24)2-4-25-7-11(6-14(28)21(24)25)26(34,23(25)33)10-36-22-19(32)18(31)17(30)16(9-27)37-22/h3,5,11,13-14,16-19,21-23,27-28,30-34H,2,4,6-10H2,1H3/t11-,13-,14+,16-,17-,18+,19-,21+,22-,23-,24-,25-,26+/m1/s1", "name": "Mascaroside", "names": [ "Mascaroside" ] }, { "compound_id": "C09133", "inchi": "InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21+,22+/m0/s1", "name": "(-)-Chimonanthine", "names": [ "(-)-Chimonanthine" ] }, { "compound_id": "C09134", "inchi": "InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34+,35-,36+,37+,38+/m1/s1", "name": "Mezerein", "names": [ "Mezerein" ] }, { "compound_id": "C09135", "inchi": "InChI=1S/C32H48O8/c1-6-7-8-9-10-11-12-13-14-15-30-38-25-23-26-29(18-33,37-26)27(35)31(36)22(16-20(4)24(31)34)32(23,40-30)21(5)17-28(25,39-30)19(2)3/h16,21-23,25-27,33,35-36H,2,6-15,17-18H2,1,3-5H3/t21-,22-,23-,25-,26+,27-,28-,29+,30+,31-,32+/m1/s1", "name": "Montanin", "names": [ "Montanin" ] }, { "compound_id": "C09136", "inchi": "InChI=1S/C19H20O4/c1-11-7-15-17-13(10-22-15)3-2-4-14(17)19(11)8-16(23-18(19)20)12-5-6-21-9-12/h5-6,9-11,14,16H,2-4,7-8H2,1H3/t11-,14+,16+,19-/m1/s1", "name": "Montanin A", "names": [ "Montanin A" ] }, { "compound_id": "C09137", "inchi": "InChI=1S/C21H36O4/c1-15(2)17(4)13-19(23)16(3)7-6-11-21(5)20(24)9-8-18(10-12-22)14-25-21/h10,13,15-16,20,22,24H,6-9,11-12,14H2,1-5H3/b17-13+,18-10+/t16-,20-,21+/m1/s1", "name": "Montanol", "names": [ "Montanol" ] }, { "compound_id": "C09138", "inchi": "InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3/t10-,12-,13+,14-,15+,16+,18-,19-/m1/s1", "name": "Nagilactone C", "names": [ "Nagilactone C" ] }, { "compound_id": "C09139", "inchi": "InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14-,19-,21+/m0/s1", "name": "Coronaridine", "names": [ "(-)-Coronaridine", "Coronaridine" ] }, { "compound_id": "C09140", "inchi": "InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1", "name": "Neocembrene", "names": [ "Cembrene A", "Neocembrene" ] }, { "compound_id": "C09141", "inchi": "InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1", "name": "Byakangelicin", "names": [ "Byakangelicin" ] }, { "compound_id": "C09142", "inchi": "InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3", "name": "Cryptolepine", "names": [ "Cryptolepine" ] }, { "compound_id": "C09143", "inchi": "InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22-,23+,26-,27-,29+,30-/m1/s1", "name": "Pedilstatin", "names": [ "12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate", "Pedilstatin" ] }, { "compound_id": "C09144", "inchi": "InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5-,26-6-/t27-,28-,35-,36-,37+,38+,39+,40+,43-,44-/m0/s1", "name": "C-Curarine", "names": [ "C-Curarine", "C-Curarine I" ] }, { "compound_id": "C09145", "inchi": "InChI=1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/b17-6-/t16-,18-,19-,21+,22+,23+,24+,25-/m0/s1", "name": "Ophiobolin A", "names": [ "Ophiobolin A" ] }, { "compound_id": "C09146", "inchi": "InChI=1S/C19H24N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3/t16-,18+,19-/m1/s1", "name": "Eburnamine", "names": [ "Eburnamenin-14-ol, 14,15-dihydro-, (14alpha)-", "Eburnamine" ] }, { "compound_id": "C09147", "inchi": "InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1", "name": "Calanolide A", "names": [ "Calanolide A" ] }, { "compound_id": "C09148", "inchi": "InChI=1S/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16-17,22H,1,7-11H2,2-5H3/t14-,16-,17-,19-,20+/m1/s1", "name": "Oryzalexin A", "names": [ "Oryzalexin A" ] }, { "compound_id": "C09149", "inchi": "InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1", "name": "Eburnamonine", "names": [ "Eburnamonine", "Vinburnine" ] }, { "compound_id": "C09150", "inchi": "InChI=1S/C20H30O4/c1-17(2)8-5-9-19(4)15(17)7-6-14(13-21)20(19)11-10-18(3,24-20)12-16(22)23/h6,13,15H,5,7-12H2,1-4H3,(H,22,23)/t15-,18-,19-,20+/m0/s1", "name": "17-Oxogrindelic acid", "names": [ "17-Oxogrindelic acid" ] }, { "compound_id": "C09151", "inchi": "InChI=1S/C20H22O7/c1-18-7-11(9-4-6-24-8-9)25-16(21)10(18)3-5-19(2)14(18)12-13-15(26-13)20(19,23)17(22)27-12/h4,6,8,10-15,23H,3,5,7H2,1-2H3/t10-,11-,12-,13+,14+,15+,18-,19-,20+/m1/s1", "name": "Palmarin", "names": [ "Palmarin" ] }, { "compound_id": "C09152", "inchi": "InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18+,20+,21+,22+,24+/m1/s1", "name": "Echitamine", "names": [ "Echitamine" ] }, { "compound_id": "C09153", "inchi": "InChI=1S/C38H60O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(42)46-34-26(3)37(45)29(32-35(5,24-40)38(32,34)47-27(4)41)21-28(23-39)22-36(44)30(37)20-25(2)33(36)43/h20-21,26,29-30,32,34,39-40,44-45H,6-19,22-24H2,1-5H3/t26-,29+,30-,32-,34-,35-,36-,37-,38-/m1/s1", "name": "12-O-Palmitoyl-16-hydroxyphorbol 13-acetate", "names": [ "12-O-Palmitoyl-16-hydroxyphorbol 13-acetate", "Croton factor F1" ] }, { "compound_id": "C09154", "inchi": "InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3", "name": "Ellipticine", "names": [ "Ellipticine" ] }, { "compound_id": "C09155", "inchi": "InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1", "name": "Phorbol", "names": [ "Phorbol" ] }, { "compound_id": "C09156", "inchi": "InChI=1S/C43H52N4O6/c1-7-24-21-46(3)35-17-32-25-10-8-9-11-33(25)44-38(32)31(15-28(24)37(35)41(49)52-5)30-16-34-29(18-36(30)51-4)26-12-13-47-20-23-14-27(22(2)48)40(47)43(19-23,39(26)45-34)42(50)53-6/h7-11,16,18,22-23,27-28,31,35,37,40,44-45,48H,12-15,17,19-21H2,1-6H3/b24-7-/t22-,23+,27-,28?,31-,35-,37+,40+,43-/m1/s1", "name": "Epivoacorine", "names": [ "Epivoacorine" ] }, { "compound_id": "C09157", "inchi": "InChI=1S/C35H52O8/c1-8-10-11-12-13-14-15-16-27(37)43-35-28(32(35,6)7)25-18-24(20-36)19-33(40)26(17-22(4)29(33)38)34(25,41)23(5)30(35)42-31(39)21(3)9-2/h9,17-18,23,25-26,28,30,36,40-41H,8,10-16,19-20H2,1-7H3/b21-9+/t23-,25+,26-,28-,30-,33-,34-,35-/m1/s1", "name": "Phorbol 12-tiglate 13-decanoate", "names": [ "Phorbol 12-tiglate 13-decanoate" ] }, { "compound_id": "C09158", "inchi": "InChI=1S/C26H24O5/c1-6-15(2)22(28)21-23(29-5)17-12-13-26(3,4)31-24(17)20-18(14-19(27)30-25(20)21)16-10-8-7-9-11-16/h6-14H,1-5H3/b15-6+", "name": "Calophyllolide", "names": [ "Calophyllolide" ] }, { "compound_id": "C09159", "inchi": "InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1", "name": "(+)-Pimaric acid", "names": [ "(+)-Pimaric acid", "Dextropimaric acid" ] }, { "compound_id": "C09160", "inchi": "InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1", "name": "Ergine", "names": [ "Ergine", "Lysergamide" ] }, { "compound_id": "C09161", "inchi": "InChI=1S/C37H50O9/c1-20(2)33-18-22(4)37-26-29(33)44-35(45-33,46-37)17-13-8-6-7-10-14-21(3)25-23(5)28(42-31(39)24-15-11-9-12-16-24)36(41,27(25)37)32(40)34(19-38)30(26)43-34/h9,11-12,15-16,21-23,25-30,32,38,40-41H,1,6-8,10,13-14,17-19H2,2-5H3/t21-,22-,23+,25+,26-,27-,28+,29-,30+,32-,33-,34+,35+,36-,37-/m1/s1", "name": "Pimelea factor P2", "names": [ "Daphnopsis factor R1", "Pimelea factor P2" ] }, { "compound_id": "C09162", "inchi": "InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1", "name": "Ergocornine", "names": [ "Ergocornine" ] }, { "compound_id": "C09163", "inchi": "InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,4)8-5-9-20(17,18(22)23)15(13)11-16(14)21/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,20-/m0/s1", "name": "Pisiferic acid", "names": [ "Pisiferic acid" ] }, { "compound_id": "C09164", "inchi": "InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1", "name": "Ergocristine", "names": [ "Ergocristine" ] }, { "compound_id": "C09165", "inchi": "InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3", "name": "Chalepensin", "names": [ "3-(alpha,alpha-Dimethylallyl)psoralen", "Chalepensin" ] }, { "compound_id": "C09166", "inchi": "InChI=1S/C20H20O6/c1-11-7-16-20(10-21)13(17(22)26-16)3-2-4-15(20)19(11)8-14(25-18(19)23)12-5-6-24-9-12/h3,5-6,9,14-16,21H,1-2,4,7-8,10H2/t14-,15+,16+,19+,20-/m0/s1", "name": "Plaunol B", "names": [ "Plaunol B" ] }, { "compound_id": "C09167", "inchi": "InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1", "name": "Ergosine", "names": [ "Ergosine" ] }, { "compound_id": "C09168", "inchi": "InChI=1S/C20H22O7/c1-10-4-16-20-9-26-18(24)19(10,7-14(22)11-2-3-25-8-11)15(20)6-12(21)5-13(20)17(23)27-16/h2-3,5,8,12,14-16,18,21-22,24H,1,4,6-7,9H2/t12-,14+,15-,16-,18+,19-,20+/m1/s1", "name": "Plaunol D", "names": [ "Plaunol D" ] }, { "compound_id": "C09169", "inchi": "InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14-,16+,18?,19-,20+,21-,22-/m0/s1", "name": "Pleuromutilin", "names": [ "Pleuromutilin" ] }, { "compound_id": "C09170", "inchi": "InChI=1S/C16H22N4O3/c1-16-7-8-20(14(21)17-2)13(16)19(4)12-6-5-10(9-11(12)16)23-15(22)18-3/h5-6,9,13H,7-8H2,1-4H3,(H,17,21)(H,18,22)/t13-,16-/m0/s1", "name": "Eseramine", "names": [ "(3aS-cis)-3,3a,8,8a-Tetrahydro-N,3a,8-trimethyl-5-[[(methylamino)carbonyl]oxy]-pyrrolo[2,3-b]indole-1(2H)-carboxamide", "Eseramine" ] }, { "compound_id": "C09171", "inchi": "InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1", "name": "Podocarpic acid", "names": [ "Podocarpic acid" ] }, { "compound_id": "C09172", "inchi": "InChI=1S/C19H22O9/c1-16(24,5-20)14-19-6(4-7(21)25-14)17(2)10-8(13(19)28-19)27-15(23)18(10,3)11(22)9-12(17)26-9/h4,8-14,20,22,24H,5H2,1-3H3/t8-,9-,10+,11-,12-,13+,14+,16+,17+,18+,19-/m0/s1", "name": "Podolactone B", "names": [ "Podolactone B" ] }, { "compound_id": "C09173", "inchi": "InChI=1S/C19H22O5/c1-9(2)14-19-10(8-11(20)22-14)17(3)6-5-7-18(4)13(17)12(15(19)24-19)23-16(18)21/h5,7-9,12-15H,6H2,1-4H3/t12-,13+,14+,15+,17+,18-,19+/m0/s1", "name": "Podolide", "names": [ "Podolide" ] }, { "compound_id": "C09174", "inchi": "InChI=1S/C19H22O6/c1-7(2)12-8-5-10-14-18(3,9(8)6-11(20)24-12)16-13(25-16)15(21)19(14,4)17(22)23-10/h5-7,10,12-16,21H,1-4H3/t10-,12-,13+,14-,15+,16+,18-,19-/m1/s1", "name": "Ponalactone A", "names": [ "Ponalactone A" ] }, { "compound_id": "C09175", "inchi": "InChI=1S/C20H32O4/c1-15-4-3-5-18-19(10-15,13-23)11-16(2)20(18,14-24)8-6-17(12-22)7-9-21/h4,7,13,16,18,21-22,24H,3,5-6,8-12,14H2,1-2H3/b17-7-/t16-,18+,19+,20-/m1/s1", "name": "Portulal", "names": [ "Portulal" ] }, { "compound_id": "C09176", "inchi": "InChI=1S/C15H21N3O3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-/m0/s1", "name": "Eseridine", "names": [ "Eseridine" ] }, { "compound_id": "C09177", "inchi": "InChI=1S/C20H28O4/c1-13-11-14-15-17(2,16(21)23-14)5-4-6-18(15,3)20(13)8-7-19(24-20)9-10-22-12-19/h9-10,13-15H,4-8,11-12H2,1-3H3/t13-,14-,15+,17+,18+,19-,20-/m1/s1", "name": "Premarrubiin", "names": [ "Premarrubiin" ] }, { "compound_id": "C09178", "inchi": "InChI=1S/C20H28O6/c1-10(2)18(24)7-12(4)20(26)14(17(18)23)6-13(9-21)8-19(25)15(20)5-11(3)16(19)22/h5-6,12,14-15,17,21,23-26H,1,7-9H2,2-4H3/t12-,14+,15-,17-,18-,19-,20-/m1/s1", "name": "Resiniferonol", "names": [ "Resiniferonol" ] }, { "compound_id": "C09179", "inchi": "InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-28(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-25(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)15-26-11-12-27(38)16-29(26)42-5/h6-14,16,23,28,30,33,38,41H,1,15,17-20H2,2-5H3/t23-,28+,30-,33-,34-,35-,36+,37-/m1/s1", "name": "Resiniferatoxin", "names": [ "RTX", "Resiniferatoxin" ] }, { "compound_id": "C09180", "inchi": "InChI=1S/C24H38O8/c1-12(25)31-18-10-23-11-21(5,28)14(19(23)32-13(2)26)7-8-15(23)22(6,29)16-9-17(27)20(3,4)24(16,18)30/h14-19,27-30H,7-11H2,1-6H3/t14-,15+,16+,17+,18-,19?,21-,22-,23+,24+/m1/s1", "name": "Rhodojaponin IV", "names": [ "Rhodojaponin IV" ] }, { "compound_id": "C09181", "inchi": "InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3/t11-,12-,21+,22+,24+,25-,27+,28?,31?,32+/m1/s1", "name": "Chartreusin", "names": [ "Chartreusin" ] }, { "compound_id": "C09182", "inchi": "InChI=1S/C20H28O3/c1-11(2)14-16(21)12-7-8-13-19(3,4)9-6-10-20(13,5)15(12)18(23)17(14)22/h11,13,22H,6-10H2,1-5H3/t13-,20-/m0/s1", "name": "Royleanone", "names": [ "Royleanone" ] }, { "compound_id": "C09183", "inchi": "InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1", "name": "Sclareol", "names": [ "Sclareol" ] }, { "compound_id": "C09184", "inchi": "InChI=1S/C20H26O6/c1-10-11-6-12(21)13-19(9-26-17(24)20(13,7-11)15(10)22)5-3-4-18(2)8-25-16(23)14(18)19/h11-14,16,21,23H,1,3-9H2,2H3/t11-,12-,13+,14-,16+,18+,19-,20+/m1/s1", "name": "Shikodonin", "names": [ "Shikodonin" ] }, { "compound_id": "C09185", "inchi": "InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1", "name": "Simplexin", "names": [ "Simplexin" ] }, { "compound_id": "C09186", "inchi": "InChI=1S/C18H20O5/c1-9-4-3-5-11-7-12-13(18(20)23-16(12)15(9)11)8-21-14-6-10(2)17(19)22-14/h6,8-9,12,14,16H,3-5,7H2,1-2H3/b13-8+/t9-,12+,14+,16-/m0/s1", "name": "Sorgolactone", "names": [ "Sorgolactone" ] }, { "compound_id": "C09187", "inchi": "InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1", "name": "Evodiamine", "names": [ "Evodiamine" ] }, { "compound_id": "C09188", "inchi": "InChI=1S/C20H28O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17-18,21-22H,1,7-10H2,2-5H3/t17-,18-,20+/m1/s1", "name": "Spruceanol", "names": [ "Spruceanol" ] }, { "compound_id": "C09189", "inchi": "InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30?,31?,32+,33?,35-,36-,37-,38+/m1/s1", "name": "Stevioside", "names": [ "Stevioside" ] }, { "compound_id": "C09190", "inchi": "InChI=1S/C19H22O6/c1-9-6-14(24-17(9)21)23-8-12-10-7-11-13(20)4-5-19(2,3)15(11)16(10)25-18(12)22/h6,8,10,13-14,16,20H,4-5,7H2,1-3H3/b12-8+/t10-,13+,14-,16+/m1/s1", "name": "Strigol", "names": [ "Strigol" ] }, { "compound_id": "C09191", "inchi": "InChI=1S/C20H28N2O/c1-14-8-9-16(12-19(14)23)20(2,3)22-11-10-15-13-21-18-7-5-4-6-17(15)18/h4-7,13-14,16,21-22H,8-12H2,1-3H3/t14-,16-/m1/s1", "name": "Fruticosonine", "names": [ "Fruticosonine" ] }, { "compound_id": "C09192", "inchi": "InChI=1S/C36H54O8/c1-22(2)32-20-23(3)36-26-29(32)42-34(43-32,44-36)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-25-24(4)28(38)35(40,27(25)36)31(39)33(21-37)30(26)41-33/h17,19,23-27,29-31,37,39-40H,1,5-16,18,20-21H2,2-4H3/b19-17-/t23-,24+,25+,26-,27-,29-,30+,31-,32-,33+,34+,35-,36-/m1/s1", "name": "Synaptolepis factor K1", "names": [ "Synaptolepis factor K1" ] }, { "compound_id": "C09193", "inchi": "InChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(48)51-5)38-26(12-13-46(21-22)39(23)42)28-16-29(35(49-3)18-33(28)45-38)30-15-27-24(7-2)20-43-34(36(27)40(47)50-4)17-31-25-10-8-9-11-32(25)44-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-45H,6,12-15,17,19-21H2,1-5H3/b24-7-/t22-,23-,27?,30+,34+,36?,39-,42+/m0/s1", "name": "Gabunamine", "names": [ "Gabunamine" ] }, { "compound_id": "C09194", "inchi": "InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1", "name": "Taxodione", "names": [ "Taxodione" ] }, { "compound_id": "C09195", "inchi": "InChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(48)51-5)38-26(12-13-46(21-22)39(23)42)28-18-35(49-3)29(16-33(28)45-38)30-15-27-24(7-2)20-43-34(36(27)40(47)50-4)17-31-25-10-8-9-11-32(25)44-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-45H,6,12-15,17,19-21H2,1-5H3/b24-7-/t22-,23-,27?,30+,34+,36?,39-,42+/m0/s1", "name": "Gabunine", "names": [ "Gabunine" ] }, { "compound_id": "C09196", "inchi": "InChI=1S/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,14,18,21,23H,6-8H2,1-5H3/t14-,18-,20+/m0/s1", "name": "Taxodone", "names": [ "6,11-Dihydroxyabieta-7,9(11),13-trien-12-one", "Taxodone" ] }, { "compound_id": "C09197", "inchi": "InChI=1S/C19H26N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3/t12-,13+,14+,17+,18+,19-/m1/s1", "name": "Geissoschizoline", "names": [ "(16alpha)-Curan-17-ol", "Geissoschizoline" ] }, { "compound_id": "C09198", "inchi": "InChI=1S/C30H40O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h10-14,19-21,23-25,31,33-34H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1", "name": "Terpenoid EA-I", "names": [ "22,23,24,25-Tetradehydro-simplexin", "Excoecariatoxin", "Terpenoid EA-I" ] }, { "compound_id": "C09200", "inchi": "InChI=1S/C40H48N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3/b24-5-/t23-,27+,28+,29+,33+,34+,35-,37+,38+,40-/m1/s1", "name": "Geissospermine", "names": [ "Geissospermine" ] }, { "compound_id": "C09201", "inchi": "InChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35+,36-/m1/s1", "name": "Tinyatoxin", "names": [ "Tinyatoxin" ] }, { "compound_id": "C09202", "inchi": "InChI=1S/C20H24O7/c1-7(2)18-13(26-18)14-20(27-14)17(3)5-10(21)12-8(6-24-15(12)22)9(17)4-11-19(20,25-11)16(18)23/h7,9-11,13-14,16,21,23H,4-6H2,1-3H3/t9-,10-,11-,13?,14-,16+,17-,18?,19+,20+/m0/s1", "name": "Tripdiolide", "names": [ "Tripdiolide", "Triptodiolide" ] }, { "compound_id": "C09203", "inchi": "InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1", "name": "Gelsemicine", "names": [ "Gelsemicine" ] }, { "compound_id": "C09204", "inchi": "InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13?,14-,16?,17-,18?,19+,20+/m0/s1", "name": "Triptolide", "names": [ "Triptolide" ] }, { "compound_id": "C09205", "inchi": "InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16-,19-,20+/m1/s1", "name": "Zoapatanol", "names": [ "Zoapatanol" ] }, { "compound_id": "C09206", "inchi": "InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1", "name": "Cichoriin", "names": [ "Cichoriin" ] }, { "compound_id": "C09207", "inchi": "InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11?,13-,15-,16-,17+,19+,20+/m1/s1", "name": "Gelsemine", "names": [ "Gelsemine" ] }, { "compound_id": "C09208", "inchi": "InChI=1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3/t25-,33-,34-,35-,36+,37+/m1/s1", "name": "Haplophytine", "names": [ "Haplophytine" ] }, { "compound_id": "C09209", "inchi": "InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3", "name": "Harman", "names": [ "Harman" ] }, { "compound_id": "C09210", "inchi": "InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m1/s1", "name": "(R)-Columbianetin", "names": [ "(R)-Columbianetin" ] }, { "compound_id": "C09211", "inchi": "InChI=1S/C33H38N6/c1-37-18-15-31(21-9-4-6-13-25(21)34-28(31)37)23-11-8-12-24-27(23)36-30-33(24,17-20-39(30)3)32-16-19-38(2)29(32)35-26-14-7-5-10-22(26)32/h4-14,28-30,34-36H,15-20H2,1-3H3/t28-,29+,30-,31-,32-,33+/m1/s1", "name": "Hodgkinsine", "names": [ "Hodgkinsine" ] }, { "compound_id": "C09212", "inchi": "InChI=1S/C14H8N2O2/c17-11-3-1-2-10-13(11)8-6-7-15-9-4-5-12(18)16(10)14(8)9/h1-7,17H", "name": "11-Hydroxycanthin-6-one", "names": [ "11-Hydroxycanthin-6-one" ] }, { "compound_id": "C09213", "inchi": "InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1", "name": "Hypaphorine", "names": [ "Hypaphorine", "Lenticin" ] }, { "compound_id": "C09214", "inchi": "InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1", "name": "Ibogaine", "names": [ "Ibogaine" ] }, { "compound_id": "C09215", "inchi": "InChI=1S/C19H24N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-6,12-13,16,19-20H,2,7-11H2,1H3/t12-,13-,16-,19-/m0/s1", "name": "Ibogamine", "names": [ "Ibogamine" ] }, { "compound_id": "C09216", "inchi": "InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3", "name": "Daphnoretin", "names": [ "Daphnoretin" ] }, { "compound_id": "C09217", "inchi": "InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14+,15+,16+,17+,18-,19+,20-/m1/s1", "name": "Isoajmaline", "names": [ "Isoajmaline" ] }, { "compound_id": "C09218", "inchi": "InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42-,43-,44-,45+,46+/m1/s1", "name": "Leurosidine", "names": [ "Leurosidine", "Vinrosidine" ] }, { "compound_id": "C09219", "inchi": "InChI=1S/C46H56N4O9/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3/t27-,36-,37+,38-,39-,42-,43+,44-,45+,46+/m1/s1", "name": "Leurosine", "names": [ "Leurosine", "Vinleurosine" ] }, { "compound_id": "C09220", "inchi": "InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3", "name": "Mahanimbine", "names": [ "(+)-3,11-Dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)pyrano[3,2-a]carbazole", "Mahanimbine" ] }, { "compound_id": "C09221", "inchi": "InChI=1S/C21H23NO4/c1-25-16-13-15(12-8-4-7-11-14-9-5-3-6-10-14)17-18(20(16)26-2)22-21(24)19(17)23/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,22,23,24)", "name": "Melosatin A", "names": [ "Melosatin A" ] }, { "compound_id": "C09222", "inchi": "InChI=1S/C19H19NO2/c21-18-17-15(12-7-13-16(17)20-19(18)22)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,20,21,22)", "name": "Melosatin B", "names": [ "Melosatin B" ] }, { "compound_id": "C09223", "inchi": "InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1", "name": "Mesembrenone", "names": [ "Mesembrenone" ] }, { "compound_id": "C09224", "inchi": "InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m0/s1", "name": "Mesembrine", "names": [ "Mesembrine" ] }, { "compound_id": "C09225", "inchi": "InChI=1S/C17H25NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,16,19H,6-9,11H2,1-3H3/t13-,16+,17+/m1/s1", "name": "Mesembrinol", "names": [ "Mesembrinol" ] }, { "compound_id": "C09226", "inchi": "InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1", "name": "Mitragynine", "names": [ "Mitragynine" ] }, { "compound_id": "C09227", "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21+/m0/s1", "name": "Mitraphylline", "names": [ "Mitraphylline" ] }, { "compound_id": "C09228", "inchi": "InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3", "name": "Murrayanine", "names": [ "9H-Carbazole-3-carboxaldehyde, 1-methoxy-", "Murrayanine" ] }, { "compound_id": "C09229", "inchi": "InChI=1S/C29H34N4/c1-2-18-17-33-14-12-23-21-8-4-6-10-25(21)32-29(23)27(33)16-19(18)15-26-28-22(11-13-30-26)20-7-3-5-9-24(20)31-28/h3-10,18-19,26-27,30-32H,2,11-17H2,1H3/t18-,19-,26+,27-/m0/s1", "name": "Ochrolifuanine A", "names": [ "16-[(1R)-2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-17-norcorynan", "Ochrolifuanine A" ] }, { "compound_id": "C09230", "inchi": "InChI=1S/C17H14N2/c1-10-12-7-8-18-11(2)14(12)9-15-13-5-3-4-6-16(13)19-17(10)15/h3-9,19H,1-2H3", "name": "Olivacine", "names": [ "Olivacine" ] }, { "compound_id": "C09231", "inchi": "InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2", "name": "Perlolyrine", "names": [ "Perlolyrine" ] }, { "compound_id": "C09232", "inchi": "InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12-,14-/m0/s1", "name": "Physovenine", "names": [ "Physovenine" ] }, { "compound_id": "C09233", "inchi": "InChI=1S/C55H62N10/c1-61-28-23-51(33-13-6-8-21-41(33)56-46(51)61)35-15-10-16-36-43(35)58-48-53(36,25-30-63(48)3)38-18-12-20-40-45(38)60-50-55(40,27-32-65(50)5)54-26-31-64(4)49(54)59-44-37(17-11-19-39(44)54)52-24-29-62(2)47(52)57-42-22-9-7-14-34(42)52/h6-22,46-50,56-60H,23-32H2,1-5H3", "name": "Psychotridine", "names": [ "Psychotridine" ] }, { "compound_id": "C09234", "inchi": "InChI=1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-15-31-35(29)47-39-43(31,21-25-51(39)3)44-22-26-52(4)40(44)48-36-30(14-10-16-32(36)44)42-20-24-50(2)38(42)46-34-18-8-6-12-28(34)42/h5-18,37-40,45-48H,19-26H2,1-4H3", "name": "Quadrigemine A", "names": [ "Quadrigemine A" ] }, { "compound_id": "C09235", "inchi": "InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1", "name": "(-)-Quebrachamine", "names": [ "(-)-Quebrachamine", "Quebrachamine" ] }, { "compound_id": "C09236", "inchi": "InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1", "name": "Rhyncophylline", "names": [ "Rhynchophylline", "Rhyncophylline" ] }, { "compound_id": "C09237", "inchi": "InChI=1S/C31H32N4O2/c1-31-24-17-34-13-11-20-18-7-3-5-9-25(18)32-28(20)27(34)15-22(24)23(30(36)37-2)16-35(31)14-12-21-19-8-4-6-10-26(19)33-29(21)31/h3-10,16,22,24,27,32-33H,11-15,17H2,1-2H3/t22-,24-,27-,31-/m1/s1", "name": "Roxburghine B", "names": [ "Roxburghine B" ] }, { "compound_id": "C09238", "inchi": "InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2", "name": "Rutecarpine", "names": [ "Rutecarpine" ] }, { "compound_id": "C09239", "inchi": "InChI=1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12?,15-,17+,18+/m1/s1", "name": "Sarpagine", "names": [ "Sarpagine" ] }, { "compound_id": "C09240", "inchi": "InChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-4,7-12H,1-2,5-6H2", "name": "Sempervirine", "names": [ "Sempervirine" ] }, { "compound_id": "C09241", "inchi": "InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16+/m0/s1", "name": "Serpentine", "names": [ "Serpentine", "Serpentine (alkaloid)" ] }, { "compound_id": "C09242", "inchi": "InChI=1S/C40H48N4O2/c1-5-23-15-22-16-32-37-28(13-14-44(20-22)39(23)32)27-12-11-25(17-34(27)42-37)30-18-29-24(6-2)21-43(3)35(36(29)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(30)31/h6-12,17,22-23,29-30,32,35-36,39,41-42H,5,13-16,18-21H2,1-4H3/b24-6-/t22-,23-,29?,30+,32-,35+,36?,39-/m0/s1", "name": "Tabernamine", "names": [ "Tabernamine" ] }, { "compound_id": "C09243", "inchi": "InChI=1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3/t8-/m1/s1", "name": "Tetrahydroharmine", "names": [ "Tetrahydroharmine" ] }, { "compound_id": "C09244", "inchi": "InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1", "name": "Tabersonine", "names": [ "Tabersonine" ] }, { "compound_id": "C09245", "inchi": "InChI=1S/C11H7ClN2OS/c12-5-1-2-6-7-4-9(10(13)15)16-11(7)14-8(6)3-5/h1-4,14H,(H2,13,15)", "name": "Thienodolin", "names": [ "Thienodolin" ] }, { "compound_id": "C09246", "inchi": "InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1", "name": "Toxiferine I", "names": [ "Toxiferine I" ] }, { "compound_id": "C09247", "inchi": "InChI=1S/C30H20N4O6/c35-27-17(11-21-25-15(9-23(29(37)38)33(21)27)13-5-1-3-7-19(13)31-25)18-12-22-26-16(14-6-2-4-8-20(14)32-26)10-24(30(39)40)34(22)28(18)36/h1-8,11-12,23-24,31-32H,9-10H2,(H,37,38)(H,39,40)/b18-17+/t23-,24-/m0/s1", "name": "Trichotomine", "names": [ "Trichotomine" ] }, { "compound_id": "C09248", "inchi": "InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1", "name": "Tubulosine", "names": [ "Tubulosine" ] }, { "compound_id": "C09249", "inchi": "InChI=1S/C29H28N4/c1-2-18-17-33-14-12-23-21-8-4-6-10-25(21)32-29(23)27(33)16-19(18)15-26-28-22(11-13-30-26)20-7-3-5-9-24(20)31-28/h2-11,13,19,27,31-32H,12,14-17H2,1H3/b18-2-/t19-,27-/m0/s1", "name": "Usambarensine", "names": [ "Usambarensine" ] }, { "compound_id": "C09250", "inchi": "InChI=1S/C30H34N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h3-11,19-20,27-28,31-32H,1,12-18H2,2H3/t19-,20-,27-,28-/m0/s1", "name": "Usambarine", "names": [ "Usambarine" ] }, { "compound_id": "C09251", "inchi": "InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1", "name": "Vincamine", "names": [ "Vincamine" ] }, { "compound_id": "C09252", "inchi": "InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28?,31+,35+,37-,40-,43+/m0/s1", "name": "Voacamine", "names": [ "Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate", "Voacamine" ] }, { "compound_id": "C09253", "inchi": "InChI=1S/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14?,17-,19?/m1/s1", "name": "Vobasine", "names": [ "Vobasine" ] }, { "compound_id": "C09254", "inchi": "InChI=1S/C43H50N4O6/c1-50-26-7-8-29-31(19-26)47-24-38(20-25-21-39-12-17-52-32(39)9-14-45-16-11-42(29,36(39)45)43(25,47)49)23-46-15-10-41-28-5-3-4-6-30(28)44-33(41)27(34(48)51-2)22-40(35(41)46)13-18-53-37(38)40/h3-8,19,25,32,35-37,44,49H,9-18,20-24H2,1-2H3/t25?,32-,35-,36-,37-,38-,39+,40-,41-,42+,43+/m0/s1", "name": "Vobtusine", "names": [ "Vobtusine" ] }, { "compound_id": "C09255", "inchi": "InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1", "name": "Vomicine", "names": [ "Vomicine" ] }, { "compound_id": "C09256", "inchi": "InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1", "name": "Yohimbine", "names": [ "Yohimbine" ] }, { "compound_id": "C09257", "inchi": "InChI=1S/C26H34O14/c1-26(2,16-6-11-5-10-3-4-17(29)36-12(10)7-13(11)35-16)40-25-22(34)20(32)23(15(9-28)38-25)39-24-21(33)19(31)18(30)14(8-27)37-24/h3-5,7,14-16,18-25,27-28,30-34H,6,8-9H2,1-2H3/t14-,15-,16-,18-,19+,20-,21-,22-,23-,24-,25+/m1/s1", "name": "Decuroside III", "names": [ "Decuroside III" ] }, { "compound_id": "C09258", "inchi": "InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1", "name": "Decursin", "names": [ "Decursin" ] }, { "compound_id": "C09259", "inchi": "InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1", "name": "Decursinol", "names": [ "Decursinol" ] }, { "compound_id": "C09260", "inchi": "InChI=1S/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3/t19-,20-/m1/s1", "name": "Dihydrosamidin", "names": [ "Dihydrosamidin" ] }, { "compound_id": "C09261", "inchi": "InChI=1S/C24H26O7/c1-13(2)11-18(26)29-22-20-16(9-7-15-8-10-17(25)28-21(15)20)31-24(5,6)23(22)30-19(27)12-14(3)4/h7-12,22-23H,1-6H3/t22-,23-/m1/s1", "name": "Disenecionyl cis-khellactone", "names": [ "Disenecionyl cis-khellactone" ] }, { "compound_id": "C09262", "inchi": "InChI=1S/C21H22O8/c1-10-21(5,28-10)19(24)27-18-17(25-11(2)22)15-13(29-20(18,3)4)8-6-12-7-9-14(23)26-16(12)15/h6-10,17-18H,1-5H3/t10?,17-,18-,21?/m1/s1", "name": "(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin", "names": [ "(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin" ] }, { "compound_id": "C09263", "inchi": "InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H", "name": "Esculetin", "names": [ "Aesculetin", "Esculetin" ] }, { "compound_id": "C09264", "inchi": "InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1", "name": "Esculin", "names": [ "Esculin", "Esculoside" ] }, { "compound_id": "C09265", "inchi": "InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3", "name": "Fraxetin", "names": [ "Fraxetin" ] }, { "compound_id": "C09266", "inchi": "InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12-,13-,16+/m1/s1", "name": "Fraxin", "names": [ "Fraxin" ] }, { "compound_id": "C09267", "inchi": "InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3", "name": "Heliettin", "names": [ "Heliettin" ] }, { "compound_id": "C09268", "inchi": "InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3", "name": "Herniarin", "names": [ "7-Methoxycoumarin", "Herniarin" ] }, { "compound_id": "C09269", "inchi": "InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3", "name": "Imperatorin", "names": [ "Imperatorin" ] }, { "compound_id": "C09270", "inchi": "InChI=1S/C21H22O7/c1-11(2)10-16(24)27-19-17-14(28-21(4,5)20(19)25-12(3)22)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1", "name": "Isosamidin", "names": [ "Isosamidin" ] }, { "compound_id": "C09271", "inchi": "InChI=1S/C11H10O5/c1-14-7-5-8(15-2)10(13)11-6(7)3-4-9(12)16-11/h3-5,13H,1-2H3", "name": "Leptodactylone", "names": [ "Leptodactylone" ] }, { "compound_id": "C09272", "inchi": "InChI=1S/C19H20O5/c1-11(2)9-17(21)24-19(3,4)15-10-13-14(22-15)7-5-12-6-8-16(20)23-18(12)13/h5-9,15H,10H2,1-4H3/t15-/m0/s1", "name": "Libanorin", "names": [ "Libanorin" ] }, { "compound_id": "C09273", "inchi": "InChI=1S/C15H14O4/c1-15(2)7-6-10-8-9-4-5-11(16)18-12(9)14(17-3)13(10)19-15/h4-8H,1-3H3", "name": "Luvangetin", "names": [ "10-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one", "Luvangetin" ] }, { "compound_id": "C09274", "inchi": "InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1", "name": "Tabernanthine", "names": [ "Tabernanthine" ] }, { "compound_id": "C09275", "inchi": "InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)22(19(26)12-15(3)4)24(29)21-18(13-20(27)30-25(17)21)16-8-6-5-7-9-16/h5-10,13,15,28-29H,11-12H2,1-4H3", "name": "Mammeisin", "names": [ "Mammeisin" ] }, { "compound_id": "C09276", "inchi": "InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1", "name": "Marmesin", "names": [ "(+)-Marmesin", "Marmesin" ] }, { "compound_id": "C09277", "inchi": "InChI=1S/C15H12O6/c1-15-13(21-15)12(20-14(15)17)8-5-7-3-4-11(16)19-9(7)6-10(8)18-2/h3-6,12-13H,1-2H3/t12-,13-,15-/m0/s1", "name": "Micromelin", "names": [ "Micromelin" ] }, { "compound_id": "C09278", "inchi": "InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1", "name": "Nodakenetin", "names": [ "(-)-Marmesin", "Nodakenetin" ] }, { "compound_id": "C09279", "inchi": "InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14-,16-,17+,18-,19+/m1/s1", "name": "Nodakenin", "names": [ "Nodakenin" ] }, { "compound_id": "C09280", "inchi": "InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3", "name": "Osthol", "names": [ "Osthol" ] }, { "compound_id": "C09281", "inchi": "InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+", "name": "Ostruthin", "names": [ "Ostruthin" ] }, { "compound_id": "C09282", "inchi": "InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m0/s1", "name": "Oxypeucedanin", "names": [ "Oxypeucedanin" ] }, { "compound_id": "C09283", "inchi": "InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3", "name": "Peucedanin", "names": [ "Peucedanin" ] }, { "compound_id": "C09284", "inchi": "InChI=1S/C21H22O7/c1-11(2)10-16(24)28-21(4,5)20-19(25-12(3)22)17-14(26-20)8-6-13-7-9-15(23)27-18(13)17/h6-10,19-20H,1-5H3/t19-,20+/m1/s1", "name": "Peucenidin", "names": [ "Peucenidin" ] }, { "compound_id": "C09285", "inchi": "InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3", "name": "Pimpinellin", "names": [ "Pimpinellin" ] }, { "compound_id": "C09286", "inchi": "InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1", "name": "Absinthin", "names": [ "Absinthin" ] }, { "compound_id": "C09287", "inchi": "InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1", "name": "Achillin", "names": [ "Achillin" ] }, { "compound_id": "C09288", "inchi": "InChI=1S/C19H23ClO7/c1-8-4-11(26-17(23)18(3,24)6-20)13-9(2)16(22)27-15(13)14-10(8)5-12(21)19(14)7-25-19/h10-15,21,24H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15-,18+,19-/m0/s1", "name": "Acroptilin", "names": [ "Acroptilin", "Chlorohyssopifolin C" ] }, { "compound_id": "C09289", "inchi": "InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1", "name": "Alantolactone", "names": [ "Alantolactone" ] }, { "compound_id": "C09290", "inchi": "InChI=1S/C19H26O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h5,8,11,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b13-5-,14-8-/t15-,16+,17+/m0/s1", "name": "Alatolide", "names": [ "Alatolide" ] }, { "compound_id": "C09291", "inchi": "InChI=1S/C15H20O4/c1-6-4-9-8(7(2)14(17)18-9)5-15(3)10(6)11-12(19-11)13(15)16/h6,8-13,16H,2,4-5H2,1,3H3/t6-,8-,9+,10-,11-,12-,13+,15+/m1/s1", "name": "Amaralin", "names": [ "Amaralin" ] }, { "compound_id": "C09292", "inchi": "InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1", "name": "Ambrosin", "names": [ "10alphaH-Ambrosa-2,11(13)-dien-12-oic acid, 6beta-hydroxy-4-oxo-, gamma-lactone", "Ambrosin" ] }, { "compound_id": "C09293", "inchi": "InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1", "name": "Angustibalin", "names": [ "Angustibalin", "Helenalin 6-acetate" ] }, { "compound_id": "C09294", "inchi": "InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8?,9+,12+,13+,14+,15-/m1/s1", "name": "Anisatin", "names": [ "Anisatin" ] }, { "compound_id": "C09295", "inchi": "InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15+/m0/s1", "name": "Arbusculin A", "names": [ "Arbusculin A" ] }, { "compound_id": "C09296", "inchi": "InChI=1S/C29H40O10/c1-10-14(3)25(32)35-19-12-16(5)21-22(19)28(8,38-17(6)30)13-20(36-26(33)15(4)11-2)23-24(21)37-27(34)29(23,9)39-18(7)31/h10,12,15,19-24H,11,13H2,1-9H3/b14-10-/t15?,19-,20+,21-,22+,23-,24+,28+,29+/m1/s1", "name": "Archangelolide", "names": [ "Archangelolide" ] }, { "compound_id": "C09297", "inchi": "InChI=1S/C19H26O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,12,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b11-5+,14-8-/t12?,15-,16+,17+/m0/s1", "name": "Arctiopicrin", "names": [ "Arctiopicrin" ] }, { "compound_id": "C09298", "inchi": "InChI=1S/C17H20O6/c1-8-11-5-17(20)9(2)12(22-10(3)18)4-14(17)16(7-21-16)6-13(11)23-15(8)19/h11-14,20H,1-2,4-7H2,3H3/t11-,12+,13+,14+,16-,17-/m1/s1", "name": "Arctolide", "names": [ "Arctolide" ] }, { "compound_id": "C09299", "inchi": "InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9+,11+,12-,14-,15+,17+/m1/s1", "name": "Arnicolide A", "names": [ "Arnicolide A", "Dihydrohelenalin acatate" ] }, { "compound_id": "C09300", "inchi": "InChI=1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1", "name": "Aromaticin", "names": [ "Aromaticin" ] }, { "compound_id": "C09301", "inchi": "InChI=1S/C15H20O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h5,9-10,13,17H,4,6-7H2,1-3H3/t9-,10-,13-,15-/m0/s1", "name": "Artabsin", "names": [ "Artabsin" ] }, { "compound_id": "C09302", "inchi": "InChI=1S/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10-,11+,13+,14+,15-/m0/s1", "name": "Artecanin", "names": [ "Artecanin", "Chrysartemin B" ] }, { "compound_id": "C09303", "inchi": "InChI=1S/C17H20O5/c1-7-5-11(20-9(3)18)13-8(2)16(19)21-15(13)14-10(7)6-12-17(14,4)22-12/h11-15H,2,5-6H2,1,3-4H3/t11-,12+,13+,14-,15-,17+/m0/s1", "name": "Arteglasin A", "names": [ "Arteglasin A" ] }, { "compound_id": "C09304", "inchi": "InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1", "name": "Artemisiifolin", "names": [ "Artemisiifolin" ] }, { "compound_id": "C09305", "inchi": "InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H", "name": "Psoralen", "names": [ "Ficusin", "Psoralen" ] }, { "compound_id": "C09306", "inchi": "InChI=1S/O2S/c1-3-2", "name": "Sulfur dioxide", "names": [ "Sulfur dioxide" ] }, { "compound_id": "C09307", "inchi": "InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1", "name": "Pteryxin", "names": [ "Pteryxin" ] }, { "compound_id": "C09308", "inchi": "InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3/t18-/m0/s1", "name": "Rutamarin", "names": [ "Rutamarin" ] }, { "compound_id": "C09309", "inchi": "InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11+,13-,14+,15-,19+/m1/s1", "name": "Rutarin", "names": [ "Rutarin" ] }, { "compound_id": "C09310", "inchi": "InChI=1S/C21H22O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1", "name": "Samidin", "names": [ "Samidin" ] }, { "compound_id": "C09311", "inchi": "InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3", "name": "Scoparone", "names": [ "6,7-Dimethoxycoumarin", "Scoparone" ] }, { "compound_id": "C09312", "inchi": "InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3", "name": "Seselin", "names": [ "Seselin" ] }, { "compound_id": "C09313", "inchi": "InChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3", "name": "5,6,7-Trimethoxycoumarin", "names": [ "5,6,7-Trimethoxycoumarin" ] }, { "compound_id": "C09314", "inchi": "InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3", "name": "Trioxsalen", "names": [ "4,8,5'-Trimethylpsoralen", "Trioxsalen", "Trioxysalen" ] }, { "compound_id": "C09315", "inchi": "InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H", "name": "Umbelliferone", "names": [ "7-Hydroxycoumarin", "Umbelliferone" ] }, { "compound_id": "C09316", "inchi": "InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1", "name": "Visnadin", "names": [ "Visnadin", "Visnadine" ] }, { "compound_id": "C09317", "inchi": "InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3", "name": "Xanthyletin", "names": [ "Xanthyletin" ] }, { "compound_id": "C09318", "inchi": "InChI=1S/C20H18O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)18-11-16(22)15-5-4-14(21)10-19(15)23-18/h3-10,18,21H,11H2,1-2H3/t18-/m0/s1", "name": "Abyssinone I", "names": [ "Abyssinone I" ] }, { "compound_id": "C09319", "inchi": "InChI=1S/C25H28O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-12,22,26-27,29H,7-8,13H2,1-4H3/t22-/m0/s1", "name": "Abyssinone V", "names": [ "Abyssinone V" ] }, { "compound_id": "C09320", "inchi": "InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15+/m0/s1", "name": "Afzelechin", "names": [ "3,5,7,4'-Tetrahydroxyflavan", "Afzelechin" ] }, { "compound_id": "C09321", "inchi": "InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+", "name": "2'-Hydroxychalcone", "names": [ "2'-Hydroxychalcone" ] }, { "compound_id": "C09322", "inchi": "InChI=1S/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m0/s1", "name": "Actinodaphnine", "names": [ "Actinodaphine", "Actinodaphnine" ] }, { "compound_id": "C09323", "inchi": "InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3/t29-,30-/m0/s1", "name": "Adiantifoline", "names": [ "Adiantifoline" ] }, { "compound_id": "C09324", "inchi": "InChI=1S/C21H21NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)18(22)19-12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m0/s1", "name": "(+)-Adlumine", "names": [ "(+)-Adlumine" ] }, { "compound_id": "C09325", "inchi": "InChI=1S/C19H23NO5/c1-23-13-5-4-11-6-7-19-17(25-3)16(24-2)12(21)10-18(19,8-9-20-19)14(11)15(13)22/h4-5,20,22H,6-10H2,1-3H3/t18-,19+/m0/s1", "name": "Aknadicine", "names": [ "Aknadicine" ] }, { "compound_id": "C09326", "inchi": "InChI=1S/C19H18N2O4/c1-10(22)14-8-20-9-15-13(14)6-16-12-7-17(23)18(25-2)5-11(12)3-4-21(16)19(15)24/h5-10,22-23H,3-4H2,1-2H3/t10-/m1/s1", "name": "Alamarine", "names": [ "Alamarine" ] }, { "compound_id": "C09327", "inchi": "InChI=1S/C28H36N2O5/c1-5-16-15-30-9-7-19-21(14-26(34-3)28(35-4)27(19)32)23(30)11-18(16)10-22-20-13-25(33-2)24(31)12-17(20)6-8-29-22/h12-14,16,18,23,31-32H,5-11,15H2,1-4H3/t16-,18-,23-/m0/s1", "name": "Alangicine", "names": [ "Alangicine" ] }, { "compound_id": "C09328", "inchi": "InChI=1S/C29H37N3O3/c1-4-17-16-32-12-10-21-22(15-26(34-2)29(35-3)28(21)33)25(32)14-18(17)13-24-27-20(9-11-30-24)19-7-5-6-8-23(19)31-27/h5-8,15,17-18,24-25,30-31,33H,4,9-14,16H2,1-3H3/t17-,18-,24+,25-/m0/s1", "name": "Alangimarckine", "names": [ "Alangimarckine" ] }, { "compound_id": "C09329", "inchi": "InChI=1S/C19H16N2O3/c1-3-11-9-20-10-15-13(11)7-16-14-8-17(22)18(24-2)6-12(14)4-5-21(16)19(15)23/h3,6-10,22H,1,4-5H2,2H3", "name": "Alangimarine", "names": [ "Alangimarine" ] }, { "compound_id": "C09330", "inchi": "InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16-,19-,20-,21+,22-,24+,25+/m1/s1", "name": "Alangiside", "names": [ "Alangiside" ] }, { "compound_id": "C09331", "inchi": "InChI=1S/C23H29NO6/c1-24-10-9-13-11-17(26-3)18(27-4)12-15(13)21-20(24)14-7-8-16(25-2)22(28-5)19(14)23(29-6)30-21/h7-8,11-12,20-21,23H,9-10H2,1-6H3/t20-,21+,23+/m1/s1", "name": "Alpinine", "names": [ "Alpinine" ] }, { "compound_id": "C09332", "inchi": "InChI=1S/C24H30N8O9/c25-24-31-19-18(21(37)32-24)28-13(10-27-19)9-26-12-3-1-11(2-4-12)20(36)30-15(23(40)41)5-7-16(33)29-14(22(38)39)6-8-17(34)35/h1-4,13-15,26,28H,5-10H2,(H,29,33)(H,30,36)(H,34,35)(H,38,39)(H,40,41)(H4,25,27,31,32,37)", "name": "Tetrahydrofolyl-[Glu](2)", "names": [ "THF-L-glutamate", "Tetrahydrofolyl-[Glu](2)" ] }, { "compound_id": "C09333", "inchi": "InChI=1S/C19H19NO4/c1-20-8-14-11-5-16(21)17(22-2)4-10(11)3-15(20)13-7-19-18(6-12(13)14)23-9-24-19/h4-7,14-15,21H,3,8-9H2,1-2H3/t14-,15?/m1/s1", "name": "Amurensine", "names": [ "Amurensine" ] }, { "compound_id": "C09334", "inchi": "InChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m1/s1", "name": "Amurine", "names": [ "Amurine" ] }, { "compound_id": "C09335", "inchi": "InChI=1S/C25H29NO4/c1-13-10-20(29-5)25-16(8-7-9-19(25)28-4)22(13)24-17-11-14(2)26-15(3)23(17)21(30-6)12-18(24)27/h7-10,12,14-15,26-27H,11H2,1-6H3/t14-,15-/m0/s1", "name": "Ancistrocladine", "names": [ "Ancistrocladine" ] }, { "compound_id": "C09336", "inchi": "InChI=1S/C22H21NO5/c1-23-20-14(6-5-12-9-17-18(10-15(12)20)28-11-27-17)13-7-8-16(24-2)21(25-3)19(13)22(23)26-4/h5-10,22H,11H2,1-4H3", "name": "Angoline", "names": [ "Angoline" ] }, { "compound_id": "C09337", "inchi": "InChI=1S/C19H29NO4/c1-4-12-11-20-7-5-14-15(16(20)9-13(12)6-8-21)10-17(23-2)19(24-3)18(14)22/h10,12-13,16,21-22H,4-9,11H2,1-3H3/t12-,13-,16-/m0/s1", "name": "Ankorine", "names": [ "Ankorine" ] }, { "compound_id": "C09338", "inchi": "InChI=1S/C17H15NO3/c19-11-1-2-12-10(5-11)6-13-15-9(3-4-18-13)7-14-17(16(12)15)21-8-20-14/h1-2,5,7,13,18-19H,3-4,6,8H2/t13-/m1/s1", "name": "Annolobine", "names": [ "Annolobine", "Anolobine" ] }, { "compound_id": "C09339", "inchi": "InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2/t13-/m1/s1", "name": "(-)-Annonaine", "names": [ "(-)-Annonaine", "Anonaine" ] }, { "compound_id": "C09340", "inchi": "InChI=1S/C18H19NO3/c1-19-6-5-11-8-15(22-2)18(21)17-13-9-12(20)4-3-10(13)7-14(19)16(11)17/h3-4,8-9,14,20-21H,5-7H2,1-2H3/t14-/m1/s1", "name": "(-)-Apoglaziovine", "names": [ "(-)-Apoglaziovine" ] }, { "compound_id": "C09341", "inchi": "InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3", "name": "(-)-Argemonine", "names": [ "(-)-Argemonine", "Argemonine" ] }, { "compound_id": "C09342", "inchi": "InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m1/s1", "name": "Armepavine", "names": [ "Armepavine" ] }, { "compound_id": "C09343", "inchi": "InChI=1S/C19H15NO5/c1-23-13-8-10-11(7-12(13)21)18(22)17-15-9(4-5-20-17)6-14(24-2)19(25-3)16(10)15/h4-8,21H,1-3H3", "name": "Atheroline", "names": [ "Atheroline" ] }, { "compound_id": "C09344", "inchi": "InChI=1S/C15H18O4/c1-7-9(16)4-5-15(3)6-10(17)11-8(2)14(18)19-13(11)12(7)15/h4-5,8,10-11,13,17H,6H2,1-3H3/t8-,10-,11+,13-,15+/m0/s1", "name": "Artemisin", "names": [ "Artemisin" ] }, { "compound_id": "C09345", "inchi": "InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1", "name": "Artemorin", "names": [ "Artemorin" ] }, { "compound_id": "C09346", "inchi": "InChI=1S/C15H20O5/c1-5-4-7-8(6(2)14(18)19-7)12(16)15(3)9(5)10-11(20-10)13(15)17/h5,7-13,16-17H,2,4H2,1,3H3/t5-,7-,8-,9-,10-,11-,12+,13+,15-/m1/s1", "name": "Autumnolide", "names": [ "Autumnolide" ] }, { "compound_id": "C09347", "inchi": "InChI=1S/C18H11NO4/c1-21-16-11-6-7-19-14-12(11)13(17-18(16)23-8-22-17)9-4-2-3-5-10(9)15(14)20/h2-7H,8H2,1H3", "name": "Atherospermidine", "names": [ "Atherospermidine" ] }, { "compound_id": "C09348", "inchi": "InChI=1S/C11H11NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h3-7H,1-2H3", "name": "6,7-Dimethoxyisoquinoline", "names": [ "6,7-Dimethoxyisoquinoline", "Backebergine" ] }, { "compound_id": "C09349", "inchi": "InChI=1S/C15H20O4/c1-8-4-10(16)7-15(3)13(19-15)6-11-9(2)14(17)18-12(11)5-8/h4,10-13,16H,2,5-7H2,1,3H3/b8-4-/t10-,11-,12+,13-,15-/m1/s1", "name": "Baileyin", "names": [ "Baileyin" ] }, { "compound_id": "C09350", "inchi": "InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3/t10-,12+,14+,15+/m0/s1", "name": "Bakkenolide A", "names": [ "Bakkenolide A" ] }, { "compound_id": "C09351", "inchi": "InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17+,20-/m1/s1", "name": "Budlein A", "names": [ "Budlein A" ] }, { "compound_id": "C09352", "inchi": "InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1", "name": "(+)-Bebeerine", "names": [ "(+)-Bebeerine", "Bebeerine" ] }, { "compound_id": "C09353", "inchi": "InChI=1S/C19H20O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h6-7,13-14,16H,1,4,8H2,2-3,5H3/b10-6-/t13-,14-,16+,19-/m1/s1", "name": "Calaxin", "names": [ "Calaxin" ] }, { "compound_id": "C09354", "inchi": "InChI=1S/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10+,11-,13+,14-,15+/m0/s1", "name": "Canin", "names": [ "Canin" ] }, { "compound_id": "C09355", "inchi": "InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-12(17)14-10(3)15(18)19-13(14)6-8/h4,7,11-14,16-17H,3,5-6H2,1-2H3/b8-4+,9-7+/t11-,12-,13+,14+/m1/s1", "name": "Chamissonin", "names": [ "Chamissonin" ] }, { "compound_id": "C09356", "inchi": "InChI=1S/C19H24O6/c1-10-6-7-15(23-13(4)20)11(2)9-17(24-14(5)21)18-12(3)19(22)25-16(18)8-10/h6,9,15-18H,3,7-8H2,1-2,4-5H3/b10-6+,11-9+/t15-,16+,17-,18-/m1/s1", "name": "Chamissonin diacetate", "names": [ "Chamissonin diacetate" ] }, { "compound_id": "C09357", "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1", "name": "Berbamine", "names": [ "Berbamine" ] }, { "compound_id": "C09358", "inchi": "InChI=1S/C15H19ClO5/c1-5-7-4-8(6(2)17)15-10(9(7)20-13(5)18)14(3,19)11(16)12(15)21-15/h6-12,17,19H,1,4H2,2-3H3/t6-,7-,8-,9-,10-,11+,12+,14+,15-/m0/s1", "name": "Chlorochrymorin", "names": [ "Chlorochrymorin" ] }, { "compound_id": "C09359", "inchi": "InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10-,11-,12+,13+,14-,15-,18+,19+/m0/s1", "name": "Chlorohyssopifolin A", "names": [ "Chlorohyssopifolin A" ] }, { "compound_id": "C09360", "inchi": "InChI=1S/C20H18NO5/c1-23-17-4-3-11-5-15-12-6-18-19(26-10-25-18)7-13(12)16(22)9-21(15)8-14(11)20(17)24-2/h3-8,16,22H,9-10H2,1-2H3/q+1", "name": "Berberastine", "names": [ "Berberastine" ] }, { "compound_id": "C09361", "inchi": "InChI=1S/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8+,14-11-/t17-,18+,19+,20+/m0/s1", "name": "Chromolaenide", "names": [ "Chromolaenide" ] }, { "compound_id": "C09362", "inchi": "InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1", "name": "Cnicin", "names": [ "Cnicin" ] }, { "compound_id": "C09363", "inchi": "InChI=1S/C15H18O5/c1-7-9-4-3-8-6-19-11-5-10(16)14(2,15(8,11)18)12(9)20-13(7)17/h8-9,11-12,18H,1,3-6H2,2H3/t8-,9+,11-,12-,14+,15+/m1/s1", "name": "Conchosin A", "names": [ "Conchosin A" ] }, { "compound_id": "C09364", "inchi": "InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1", "name": "Bicuculline", "names": [ "Bicuculline" ] }, { "compound_id": "C09365", "inchi": "InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1", "name": "Boldine", "names": [ "Boldine" ] }, { "compound_id": "C09366", "inchi": "InChI=1S/C19H21NO4/c1-20-5-4-10-7-16(24-3)19(22)18-12-9-14(21)15(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1", "name": "Bracteoline", "names": [ "Bracteoline" ] }, { "compound_id": "C09367", "inchi": "InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1", "name": "Bulbocapnine", "names": [ "Bulbocapnine" ] }, { "compound_id": "C09368", "inchi": "InChI=1S/C17H17NO2/c1-20-14-9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(15(11)13)17(14)19/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1", "name": "(-)-Caaverine", "names": [ "(-)-Caaverine", "Noraporphin-1-ol, 2-methoxy-" ] }, { "compound_id": "C09369", "inchi": "InChI=1S/C38H40N2O7/c1-40-16-14-24-20-33(43-4)36(45-6)38-34(24)29(40)18-25-9-12-30(41-2)37(35(25)44-5)46-26-10-7-22(8-11-26)17-28-27-21-32(47-38)31(42-3)19-23(27)13-15-39-28/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m1/s1", "name": "Calafatimine", "names": [ "Calafatimine" ] }, { "compound_id": "C09370", "inchi": "InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34+,35-,36+/m1/s1", "name": "Cancentrine", "names": [ "Cancentrine" ] }, { "compound_id": "C09371", "inchi": "InChI=1S/C21H25NO5/c1-24-16-6-5-12-9-15-18-13(10-17(25-2)21(27-4)19(18)23)7-8-22(15)11-14(12)20(16)26-3/h5-6,10,15,23H,7-9,11H2,1-4H3/t15-/m0/s1", "name": "Capaurine", "names": [ "Capaurine" ] }, { "compound_id": "C09372", "inchi": "InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18-/m1/s1", "name": "Capnoidine", "names": [ "(-)-Adlumidine", "Capnoidine" ] }, { "compound_id": "C09373", "inchi": "InChI=1S/C17H20O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h6-7,11-12,14,21H,1,4-5,8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1", "name": "Conchosin B", "names": [ "Conchosin B" ] }, { "compound_id": "C09374", "inchi": "InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)14-9(2)16(20)22-15(14)17(4)11(8)5-6-13(17)19/h8,11-12,14-15H,2,5-7H2,1,3-4H3/t8-,11-,12-,14+,15+,17-/m0/s1", "name": "Confertiflorin", "names": [ "(+)-Confertiflorin", "Confertiflorin" ] }, { "compound_id": "C09375", "inchi": "InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1", "name": "(+-)-Carnegine", "names": [ "(+-)-Carnegine", "Carnegine" ] }, { "compound_id": "C09376", "inchi": "InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3/t12-,15+/m0/s1", "name": "Confertifolin", "names": [ "Confertifolin" ] }, { "compound_id": "C09377", "inchi": "InChI=1S/C20H23NO4/c1-23-16-5-4-12-6-7-21-11-14-10-18(25-3)17(24-2)9-13(14)8-15(21)19(12)20(16)22/h4-5,9-10,15,22H,6-8,11H2,1-3H3/t15-/m0/s1", "name": "Caseadine", "names": [ "Caseadine" ] }, { "compound_id": "C09378", "inchi": "InChI=1S/C15H20O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11-,12+,15-/m0/s1", "name": "Confertin", "names": [ "Confertin" ] }, { "compound_id": "C09379", "inchi": "InChI=1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3/t7-,8+,9+,10+,11-,13-,14+,15-/m0/s1", "name": "Coriamyrtin", "names": [ "Coriamyrtin" ] }, { "compound_id": "C09380", "inchi": "InChI=1S/C19H19NO5/c1-22-14-7-11-9(6-13(14)21)5-12-15-10(3-4-20-12)17(23-2)19-18(16(11)15)24-8-25-19/h6-7,12,20-21H,3-5,8H2,1-2H3/t12-/m0/s1", "name": "Cassythine", "names": [ "Cassyfiline", "Cassythine" ] }, { "compound_id": "C09381", "inchi": "InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1", "name": "Coronopilin", "names": [ "Coronopilin" ] }, { "compound_id": "C09382", "inchi": "InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1", "name": "Costunolide", "names": [ "(+)-Costunolide", "Costunolide" ] }, { "compound_id": "C09383", "inchi": "InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15+/m0/s1", "name": "alpha-Cyclocostunolide", "names": [ "alpha-Cyclocostunolide" ] }, { "compound_id": "C09384", "inchi": "InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1", "name": "beta-Cyclocostunolide", "names": [ "beta-Cyclocostunolide" ] }, { "compound_id": "C09385", "inchi": "InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1", "name": "Cynaropicrin", "names": [ "Cynaropicrin" ] }, { "compound_id": "C09386", "inchi": "InChI=1S/C15H20O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1", "name": "Damsin", "names": [ "Damsin" ] }, { "compound_id": "C09387", "inchi": "InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1", "name": "Dehydrocostus lactone", "names": [ "Dehydrocostus lactone" ] }, { "compound_id": "C09388", "inchi": "InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6+/t13-,14-,15+,16+/m1/s1", "name": "Deoxyelephantopin", "names": [ "Deoxyelephantopin" ] }, { "compound_id": "C09389", "inchi": "InChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1", "name": "(+)-Cassythicine", "names": [ "(+)-Cassythicine" ] }, { "compound_id": "C09390", "inchi": "InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1", "name": "Cephaeline", "names": [ "Cephaeline" ] }, { "compound_id": "C09391", "inchi": "InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1", "name": "Cepharanthine", "names": [ "Cepharanthine" ] }, { "compound_id": "C09392", "inchi": "InChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10-,13-,14-/m0/s1", "name": "8-Deoxylactucin", "names": [ "8-Deoxylactucin" ] }, { "compound_id": "C09393", "inchi": "InChI=1S/C20H19NO6/c1-21-6-5-10-7-15(25-2)13(22)8-12(10)20(21)18(23)11-3-4-14-17(27-9-26-14)16(11)19(20)24/h3-4,7-8,19,22,24H,5-6,9H2,1-2H3/t19?,20-/m1/s1", "name": "Corpaine", "names": [ "Corpaine" ] }, { "compound_id": "C09394", "inchi": "InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10-,13-,14-/m0/s1", "name": "Desacetoxymatricarin", "names": [ "Desacetoxymatricarin", "Leucodin" ] }, { "compound_id": "C09395", "inchi": "InChI=1S/C20H26O6/c1-5-14(10-21)20(24)26-16-8-11(2)6-7-15(22)12(3)9-17-18(16)13(4)19(23)25-17/h5-6,9,15-18,21-22H,4,7-8,10H2,1-3H3/b11-6+,12-9+,14-5-/t15-,16-,17-,18-/m1/s1", "name": "Deacetyleupaserrin", "names": [ "Deacetyleupaserrin" ] }, { "compound_id": "C09396", "inchi": "InChI=1S/C15H18O4/c1-9-11-4-3-10-5-6-14(2)17-8-15(10,19-14)7-12(11)18-13(9)16/h3,11-12H,1,4-8H2,2H3/t11-,12-,14+,15+/m1/s1", "name": "Dihydrogriesenin", "names": [ "Dihydrogriesenin" ] }, { "compound_id": "C09397", "inchi": "InChI=1S/C15H16O6/c1-5-9-7-3-6(14(17)18-7)10-11(20-10)12-15(2,21-12)4-8(9)19-13(5)16/h3,5,7-12H,4H2,1-2H3/t5-,7-,8+,9+,10-,11-,12+,15+/m1/s1", "name": "Dihydromikanolide", "names": [ "Dihydromikanolide" ] }, { "compound_id": "C09398", "inchi": "InChI=1S/C18H17NO4/c1-19-5-4-10-2-3-13(20)18-17(10)12(19)6-11-7-15-16(22-9-21-15)8-14(11)23-18/h2-3,7-8,12,20H,4-6,9H2,1H3/t12-/m0/s1", "name": "Cularicine", "names": [ "Cularicine" ] }, { "compound_id": "C09399", "inchi": "InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h5,11-12H,4,6-9H2,1-3H3/t11-,12+,15-/m0/s1", "name": "Drimenin", "names": [ "Drimenin" ] }, { "compound_id": "C09400", "inchi": "InChI=1S/C19H21NO4/c1-20-7-6-11-4-5-14(21)19-18(11)13(20)8-12-9-16(22-2)17(23-3)10-15(12)24-19/h4-5,9-10,13,21H,6-8H2,1-3H3/t13-/m0/s1", "name": "Cularidine", "names": [ "Cularidine" ] }, { "compound_id": "C09401", "inchi": "InChI=1S/C22H26O9/c1-10(5-6-27-12(3)24)20(25)29-15-8-22(4)19(31-22)18-17(30-18)13(9-23)7-14-16(15)11(2)21(26)28-14/h5,7,14-19,23H,2,6,8-9H2,1,3-4H3/b10-5-,13-7-/t14-,15-,16+,17+,18+,19-,22-/m1/s1", "name": "Eleganin", "names": [ "Eleganin" ] }, { "compound_id": "C09402", "inchi": "InChI=1S/C20H22O7/c1-9(2)5-14(21)25-13-7-11-6-12(24-19(11)23)8-20(4)17(27-20)16-15(13)10(3)18(22)26-16/h5-6,12-13,15-17H,3,7-8H2,1-2,4H3/t12-,13-,15+,16-,17+,20?/m0/s1", "name": "Elephantin", "names": [ "Elephantin" ] }, { "compound_id": "C09403", "inchi": "InChI=1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7-19(4)15(26-19)14-13(12)9(3)17(21)25-14/h5,11-15H,1,3,6-7H2,2,4H3/t11-,12-,13+,14-,15+,19?/m0/s1", "name": "Elephantopin", "names": [ "Elephantopin" ] }, { "compound_id": "C09404", "inchi": "InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3/t10-,11+,13-,15-/m1/s1", "name": "Encelin", "names": [ "Encelin" ] }, { "compound_id": "C09405", "inchi": "InChI=1S/C23H28O10/c1-10-14-16(31-21(27)23(5)11(2)32-23)15(29-12(3)24)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/b13-8+/t11-,14-,15+,16+,17+,18-,22-,23-/m1/s1", "name": "Enhydrin", "names": [ "Enhydrin" ] }, { "compound_id": "C09406", "inchi": "InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h4,11-14H,2-3,5-7H2,1H3/t11-,12-,13-,14-/m0/s1", "name": "Eremanthin", "names": [ "Eremanthin" ] }, { "compound_id": "C09407", "inchi": "InChI=1S/C19H24O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,9,12-13,15,22H,8H2,1-5H3/b10-6-/t12-,13+,15+,17-,18-,19-/m1/s1", "name": "Eremantholide A", "names": [ "Eremantholide", "Eremantholide A" ] }, { "compound_id": "C09408", "inchi": "InChI=1S/C15H20O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h7,9,12-13H,2,4-6,8H2,1,3H3/t9-,12-,13-,15+/m0/s1", "name": "Eremofrullanolide", "names": [ "Eremofrullanolide" ] }, { "compound_id": "C09409", "inchi": "InChI=1S/C15H22O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h9,11,13H,4-8H2,1-3H3/t9-,11+,13-,15+/m0/s1", "name": "Eremophilenolide", "names": [ "Eremophilenolide" ] }, { "compound_id": "C09410", "inchi": "InChI=1S/C19H21NO4/c1-21-14-5-4-11-6-7-20-13-8-12-9-16(22-2)17(23-3)10-15(12)24-19(14)18(11)13/h4-5,9-10,13,20H,6-8H2,1-3H3/t13-/m0/s1", "name": "Cularimine", "names": [ "Cularimine" ] }, { "compound_id": "C09411", "inchi": "InChI=1S/C20H23NO4/c1-21-8-7-12-5-6-15(22-2)20-19(12)14(21)9-13-10-17(23-3)18(24-4)11-16(13)25-20/h5-6,10-11,14H,7-9H2,1-4H3/t14-/m0/s1", "name": "Cularine", "names": [ "Cularine" ] }, { "compound_id": "C09412", "inchi": "InChI=1S/C21H26O7/c1-10(2)19(23)27-16-9-21(6)17(28-21)8-14(25-13(5)22)11(3)7-15-18(16)12(4)20(24)26-15/h7,14-18H,1,4,8-9H2,2-3,5-6H3/b11-7-/t14-,15+,16+,17+,18-,21+/m0/s1", "name": "Erioflorin acetate", "names": [ "Erioflorin acetate" ] }, { "compound_id": "C09413", "inchi": "InChI=1S/C23H28O7/c1-11(2)20(24)27-15-9-18-23(7,30-18)10-17(29-21(25)12(3)4)19-14(6)22(26)28-16(19)8-13(15)5/h8,15-19H,1,3,6,9-10H2,2,4-5,7H3/b13-8-/t15-,16+,17+,18+,19-,23+/m0/s1", "name": "Erioflorin methacrylate", "names": [ "Erioflorin methacrylate" ] }, { "compound_id": "C09414", "inchi": "InChI=1S/C20H28O6/c1-5-11(2)19(23)26-18-16(12(3)7-6-8-21)14(10-22)9-15-17(18)13(4)20(24)25-15/h5,12,15,17-18,21-22H,4,6-10H2,1-3H3/b11-5-/t12-,15+,17+,18+/m0/s1", "name": "Eriolangin", "names": [ "Eriolangin" ] }, { "compound_id": "C09415", "inchi": "InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1", "name": "Daphnandrine", "names": [ "Daphnandrine" ] }, { "compound_id": "C09416", "inchi": "InChI=1S/C20H25ClO7/c1-5-9(2)17(23)27-13-7-19(25,8-21)15-12(22)6-10(3)20(15,26)16-14(13)11(4)18(24)28-16/h5-6,12-16,22,25-26H,4,7-8H2,1-3H3/b9-5-/t12-,13-,14-,15+,16+,19+,20-/m1/s1", "name": "Eupachlorin", "names": [ "Eupachlorin" ] }, { "compound_id": "C09417", "inchi": "InChI=1S/C22H27ClO8/c1-6-10(2)19(25)30-15-8-21(27,9-23)17-14(29-13(5)24)7-11(3)22(17,28)18-16(15)12(4)20(26)31-18/h6-7,14-18,27-28H,4,8-9H2,1-3,5H3/b10-6-/t14-,15-,16-,17+,18+,21+,22-/m1/s1", "name": "Eupachlorin acetate", "names": [ "Eupachlorin acetate" ] }, { "compound_id": "C09418", "inchi": "InChI=1S/C35H36N2O6/c1-37-13-11-23-18-32(41-3)34(39)35-33(23)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-25-19-31(43-35)30(40-2)17-22(25)10-12-36-26/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m1/s1", "name": "Daphnoline", "names": [ "Daphnoline" ] }, { "compound_id": "C09419", "inchi": "InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1", "name": "Dauricine", "names": [ "Dauricine" ] }, { "compound_id": "C09420", "inchi": "InChI=1S/C29H36N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h7,9,13-16,18,21,25H,6,8,10-12,17H2,1-5H3/t18-,21-,25-/m0/s1", "name": "Emetamine", "names": [ "Emetamine" ] }, { "compound_id": "C09421", "inchi": "InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24?,25-/m0/s1", "name": "Emetine", "names": [ "Emetine" ] }, { "compound_id": "C09422", "inchi": "InChI=1S/C17H19NO3/c1-21-16-9-14-11(8-15(16)20)4-6-18-7-5-12-2-3-13(19)10-17(12,14)18/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3/t13-,17-/m0/s1", "name": "Erysonine", "names": [ "Erysonine" ] }, { "compound_id": "C09423", "inchi": "InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1", "name": "Erysotrine", "names": [ "Erysotrine" ] }, { "compound_id": "C09424", "inchi": "InChI=1S/C19H25NO4/c1-22-16-8-12-4-6-20-7-5-13-9-15(21)18(24-3)11-19(13,20)14(12)10-17(16)23-2/h8-10,15,18,21H,4-7,11H2,1-3H3/t15-,18+,19-/m0/s1", "name": "Erythratidine", "names": [ "Erythratidine" ] }, { "compound_id": "C09425", "inchi": "InChI=1S/C20H25ClO8/c1-5-8(2)16(23)27-10-6-19(25,7-21)13-12(22)15-18(4,29-15)20(13,26)14-11(10)9(3)17(24)28-14/h5,10-15,22,25-26H,3,6-7H2,1-2,4H3/b8-5-/t10-,11-,12+,13+,14+,15-,18-,19+,20-/m1/s1", "name": "Eupachloroxin", "names": [ "Eupachloroxin" ] }, { "compound_id": "C09426", "inchi": "InChI=1S/C20H21NO4/c1-21-15-5-12-7-19-20(25-10-24-19)9-14(12)16(21)4-11-6-17(22-2)18(23-3)8-13(11)15/h6-9,15-16H,4-5,10H2,1-3H3", "name": "Eschscholtzidine", "names": [ "(5S)-5,6,11,12-Tetrahydro-8,9-dimethoxy-14-methyl-benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine", "Eschscholtzidine" ] }, { "compound_id": "C09427", "inchi": "InChI=1S/C22H28O7/c1-7-11(2)21(25)28-18-8-12(3)16(24)10-17(27-15(6)23)13(4)9-19-20(18)14(5)22(26)29-19/h7-9,16-20,24H,5,10H2,1-4,6H3/b11-7-,12-8-,13-9-/t16-,17-,18+,19+,20+/m0/s1", "name": "Eupacunin", "names": [ "Eupacunin" ] }, { "compound_id": "C09428", "inchi": "InChI=1S/C22H28O8/c1-6-11(2)21(26)29-18-7-12(3)16(25)9-17(28-14(5)24)15(10-23)8-19-20(18)13(4)22(27)30-19/h6-8,16-20,23,25H,4,9-10H2,1-3,5H3/b11-6-,12-7-,15-8-/t16-,17-,18+,19+,20+/m0/s1", "name": "Eupacunolin", "names": [ "Eupacunolin" ] }, { "compound_id": "C09429", "inchi": "InChI=1S/C22H28O8/c1-10-7-18(29-21(26)22(6)13(4)30-22)19-12(3)20(25)28-17(19)8-11(2)16(9-15(10)24)27-14(5)23/h7-8,13,15-19,24H,3,9H2,1-2,4-6H3/b10-7-,11-8-/t13-,15+,16+,17-,18-,19+,22-/m1/s1", "name": "Eupacunoxin", "names": [ "Eupacunoxin" ] }, { "compound_id": "C09430", "inchi": "InChI=1S/C20H15NO4/c1-21-9-15-12(5-6-16(23-2)20(15)22)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3/p+1", "name": "Fagaridine", "names": [ "Fagaridine" ] }, { "compound_id": "C09431", "inchi": "InChI=1S/C17H22O5/c1-9-5-6-14(21-12(4)18)10(2)8-15-16(13(19)7-9)11(3)17(20)22-15/h5,8,13-16,19H,3,6-7H2,1-2,4H3/b9-5+,10-8-/t13-,14-,15-,16-/m1/s1", "name": "Eupaformonin", "names": [ "Eupaformonin" ] }, { "compound_id": "C09432", "inchi": "InChI=1S/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7+/t17-,18-,19-,20-/m1/s1", "name": "Eupaformosanin", "names": [ "Eupaformosanin" ] }, { "compound_id": "C09433", "inchi": "InChI=1S/C20H26O7/c1-11-5-4-7-20(10-22)17(27-20)16-15(13(3)19(24)26-16)14(9-11)25-18(23)12(2)6-8-21/h5-6,14-17,21-22H,3-4,7-10H2,1-2H3/b11-5+,12-6+/t14-,15-,16+,17-,20+/m1/s1", "name": "Eupahyssopin", "names": [ "Eupahyssopin" ] }, { "compound_id": "C09434", "inchi": "InChI=1S/C20H24O7/c1-5-9(2)17(22)26-13-7-19(8-25-19)15-12(21)6-10(3)20(15,24)16-14(13)11(4)18(23)27-16/h5-6,12-16,21,24H,4,7-8H2,1-3H3/b9-5-/t12-,13-,14-,15+,16+,19+,20-/m1/s1", "name": "Euparotin", "names": [ "Euparotin" ] }, { "compound_id": "C09435", "inchi": "InChI=1S/C22H26O8/c1-6-10(2)19(24)29-15-8-21(9-27-21)17-14(28-13(5)23)7-11(3)22(17,26)18-16(15)12(4)20(25)30-18/h6-7,14-18,26H,4,8-9H2,1-3,5H3/b10-6-/t14-,15-,16-,17+,18+,21+,22-/m1/s1", "name": "Euparotin acetate", "names": [ "Euparotin acetate" ] }, { "compound_id": "C09436", "inchi": "InChI=1S/C22H28O7/c1-6-16(11-27-15(5)23)22(26)29-19-10-13(3)8-17(24)7-12(2)9-18-20(19)14(4)21(25)28-18/h6,8-9,17-20,24H,4,7,10-11H2,1-3,5H3/b12-9+,13-8+,16-6-/t17-,18+,19+,20-/m0/s1", "name": "Eupaserrin", "names": [ "Eupaserrin" ] }, { "compound_id": "C09437", "inchi": "InChI=1S/C22H28O7/c1-7-11(2)21(25)29-20-18-14(5)22(26)28-17(18)10-13(4)16(27-15(6)23)9-8-12(3)19(20)24/h7-8,10,16-20,24H,5,9H2,1-4,6H3/b11-7-,12-8+,13-10-/t16-,17+,18-,19?,20-/m0/s1", "name": "Eupatocunin", "names": [ "Eupatocunin" ] }, { "compound_id": "C09438", "inchi": "InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3/p+1", "name": "Fagaronine", "names": [ "Fagaronine" ] }, { "compound_id": "C09439", "inchi": "InChI=1S/C22H28O8/c1-10-7-8-15(27-14(5)23)11(2)9-16-17(12(3)20(25)28-16)18(24)19(10)29-21(26)22(6)13(4)30-22/h7,9,13,15-19,24H,3,8H2,1-2,4-6H3/b10-7+,11-9-/t13-,15+,16-,17+,18?,19?,22-/m1/s1", "name": "Eupatocunoxin", "names": [ "Eupatocunoxin" ] }, { "compound_id": "C09440", "inchi": "InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-5+,10-8+/t12-,13-,14-/m1/s1", "name": "Eupatolide", "names": [ "Eupatolide" ] }, { "compound_id": "C09441", "inchi": "InChI=1S/C40H46N2O8/c1-41-13-11-22-17-31(45-4)32(46-5)20-26(22)28(41)15-24-9-10-30(44-3)40(49-8)39(24)50-34-19-25-16-29-36-23(12-14-42(29)2)18-35(48-7)38(43)37(36)27(25)21-33(34)47-6/h9-10,17-21,28-29,43H,11-16H2,1-8H3/t28-,29-/m0/s1", "name": "Fetidine", "names": [ "Fetidine" ] }, { "compound_id": "C09442", "inchi": "InChI=1S/C20H26O6/c1-12-5-4-6-13(2)10-17(26-20(24)15(11-22)7-8-21)18-14(3)19(23)25-16(18)9-12/h6-7,9,16-18,21-22H,3-5,8,10-11H2,1-2H3/b12-9+,13-6+,15-7+/t16-,17-,18+/m1/s1", "name": "Eupatoriopicrin", "names": [ "Eupatoriopicrin" ] }, { "compound_id": "C09443", "inchi": "InChI=1S/C20H24O8/c1-5-8(2)16(22)26-10-6-19(7-25-19)13-12(21)15-18(4,28-15)20(13,24)14-11(10)9(3)17(23)27-14/h5,10-15,21,24H,3,6-7H2,1-2,4H3/b8-5-/t10-,11-,12+,13+,14+,15-,18-,19+,20-/m1/s1", "name": "Eupatoroxin", "names": [ "Eupatoroxin" ] }, { "compound_id": "C09444", "inchi": "InChI=1S/C21H23NO5/c1-22-7-6-12-8-16(24-2)17(25-3)9-14(12)21(22)10-13-4-5-15-19(27-11-26-15)18(13)20(21)23/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3/t20-,21+/m0/s1", "name": "Fumaricine", "names": [ "Fumaricine" ] }, { "compound_id": "C09445", "inchi": "InChI=1S/C13H19NO3/c1-8-10-7-11(16-3)13(17-4)12(15)9(10)5-6-14(8)2/h7-8,15H,5-6H2,1-4H3/t8-/m0/s1", "name": "Gigantine", "names": [ "Gigantine" ] }, { "compound_id": "C09446", "inchi": "InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1", "name": "Glaucine", "names": [ "Glaucine" ] }, { "compound_id": "C09447", "inchi": "InChI=1S/C20H24O8/c1-5-8(2)16(22)26-10-6-19(7-25-19)13-12(21)15-18(4,28-15)20(13,24)14-11(10)9(3)17(23)27-14/h5,10-15,21,24H,3,6-7H2,1-2,4H3/b8-5-/t10-,11-,12+,13+,14+,15-,18-,19-,20-/m1/s1", "name": "10-epi-Eupatoroxin", "names": [ "10-epi-Eupatoroxin" ] }, { "compound_id": "C09448", "inchi": "InChI=1S/C20H24O7/c1-6-8(2)17(22)25-11-7-9(3)13-14(21)16-19(5,27-16)20(13,24)15-12(11)10(4)18(23)26-15/h6,11-16,21,24H,3-4,7H2,1-2,5H3/b8-6-/t11-,12-,13-,14+,15+,16-,19-,20-/m1/s1", "name": "Eupatundin", "names": [ "Eupatundin" ] }, { "compound_id": "C09449", "inchi": "InChI=1S/C20H24O6/c1-5-9(2)18(22)24-13-6-11(8-21)12-7-14-20(4,26-14)16(12)17-15(13)10(3)19(23)25-17/h5,13-17,21H,3,6-8H2,1-2,4H3/b9-5-/t13-,14-,15-,16+,17+,20-/m1/s1", "name": "Euponin", "names": [ "Euponin" ] }, { "compound_id": "C09450", "inchi": "InChI=1S/C15H18O4/c1-8-9-6-10-12(19-13(17)15(10,3)18)7-14(9,2)5-4-11(8)16/h4-5,9-10,12,18H,1,6-7H2,2-3H3/t9-,10-,12+,14+,15+/m0/s1", "name": "Farinosin", "names": [ "Farinosin" ] }, { "compound_id": "C09451", "inchi": "InChI=1S/C20H26O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10-12,15-18,23H,1-5H3/t10-,11-,12-,15+,16+,17-,18-,20-/m0/s1", "name": "Fastigilin B", "names": [ "Fastigilin B" ] }, { "compound_id": "C09452", "inchi": "InChI=1S/C20H24O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10,12,15-18,23H,4H2,1-3,5H3/t10-,12-,15+,16+,17-,18-,20-/m0/s1", "name": "Fastigilin C", "names": [ "Fastigilin C" ] }, { "compound_id": "C09453", "inchi": "InChI=1S/C15H20O4/c1-7-4-12-9(8(2)14(17)19-12)5-10-13(7)11(16)6-15(10,3)18/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13-,15-/m1/s1", "name": "Florilenalin", "names": [ "Florilenalin" ] }, { "compound_id": "C09454", "inchi": "InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11,13H,2,4-8H2,1,3H3/t11-,13+,15+/m0/s1", "name": "Frullanolide", "names": [ "Frullanolide" ] }, { "compound_id": "C09455", "inchi": "InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12-,13+,14+,15-,17-/m1/s1", "name": "Gaillardin", "names": [ "Gaillardin" ] }, { "compound_id": "C09456", "inchi": "InChI=1S/C15H20O4/c1-6-4-11-13(8(3)15(18)19-11)14(17)12-7(2)10(16)5-9(6)12/h6,8-9,11,13-14,17H,4-5H2,1-3H3/t6-,8-,9+,11+,13+,14+/m0/s1", "name": "Geigerin", "names": [ "Geigerin" ] }, { "compound_id": "C09457", "inchi": "InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3/t13-/m1/s1", "name": "Glaziovine", "names": [ "Glaziovine" ] }, { "compound_id": "C09458", "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-20-32(42-4)34-21-27(24)28(38)17-23-8-11-31(41-3)33(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)19-30(40)36(43-5)37(35)45-34/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1", "name": "Gyrocarpine", "names": [ "Gyrocarpine" ] }, { "compound_id": "C09459", "inchi": "InChI=1S/C21H27NO5/c1-22-11-10-20-12-14(23)17(25-3)19(27-5)21(20,22)9-8-13-6-7-15(24-2)18(26-4)16(13)20/h6-7H,8-12H2,1-5H3/t20-,21+/m0/s1", "name": "Hasubanonine", "names": [ "Hasubanonine" ] }, { "compound_id": "C09460", "inchi": "InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3", "name": "Heliamine", "names": [ "Heliamine" ] }, { "compound_id": "C09461", "inchi": "InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1", "name": "Hernandezine", "names": [ "Hernandezine" ] }, { "compound_id": "C09462", "inchi": "InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m1/s1", "name": "(-)-alpha-Hydrastine", "names": [ "(-)-alpha-Hydrastine" ] }, { "compound_id": "C09463", "inchi": "InChI=1S/C23H28O10/c1-11(2)20(27)30-15-9-23(6,32-13(4)25)16(26)7-8-22(5)19(33-22)18-17(15)14(21(28)31-18)10-29-12(3)24/h15,18-19H,1,7-10H2,2-6H3/t15-,18-,19+,22+,23+/m0/s1", "name": "Glaucolide A", "names": [ "Glaucolide A" ] }, { "compound_id": "C09464", "inchi": "InChI=1S/C27H35NO12/c1-4-14-16(8-18-15-9-20(32)19(31)7-13(15)5-6-28(18)12(2)30)17(25(36)37-3)11-38-26(14)40-27-24(35)23(34)22(33)21(10-29)39-27/h4,7,9,11,14,16,18,21-24,26-27,29,31-35H,1,5-6,8,10H2,2-3H3/t14-,16+,18-,21-,22-,23+,24-,26+,27+/m1/s1", "name": "Ipecoside", "names": [ "Ipecoside" ] }, { "compound_id": "C09465", "inchi": "InChI=1S/C21H26O10/c1-10(22)27-9-13-16-14(28-11(2)23)8-21(5,30-12(3)24)15(25)6-7-20(4)18(31-20)17(16)29-19(13)26/h14,17-18H,6-9H2,1-5H3/t14-,17-,18+,20+,21+/m0/s1", "name": "Glaucolide B", "names": [ "Glaucolide B" ] }, { "compound_id": "C09466", "inchi": "InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,14H,4-5,8-9H2,1-3H3/b10-7+,11-6+", "name": "Glechomanolide", "names": [ "Glechomanolide" ] }, { "compound_id": "C09467", "inchi": "InChI=1S/C19H20O7/c1-9(2)17(22)24-13-5-11(8-20)12-6-15(21)19(4,26-12)7-14-16(13)10(3)18(23)25-14/h5-6,13-14,16,20H,1,3,7-8H2,2,4H3/b11-5-/t13-,14+,16+,19-/m1/s1", "name": "Goyazensolide", "names": [ "Goyazensolide" ] }, { "compound_id": "C09468", "inchi": "InChI=1S/C25H34O7/c1-8-13(3)21(26)30-17-12-24(6,29)16-11-10-15(5)18(16)20-19(17)25(7,23(28)31-20)32-22(27)14(4)9-2/h8-10,16-20,29H,11-12H2,1-7H3/b13-8-,14-9-/t16-,17-,18+,19+,20-,24-,25-/m0/s1", "name": "Gradolide", "names": [ "Gradolide" ] }, { "compound_id": "C09469", "inchi": "InChI=1S/C22H26O9/c1-9(5-6-27-11(3)23)19(25)29-12-7-22(8-28-22)14-15(21(4)18(31-21)16(14)24)17-13(12)10(2)20(26)30-17/h5,12-18,24H,2,6-8H2,1,3-4H3/b9-5-/t12-,13-,14+,15+,16+,17+,18-,21+,22+/m1/s1", "name": "Graminiliatrin", "names": [ "Graminiliatrin" ] }, { "compound_id": "C09470", "inchi": "InChI=1S/C15H20O4/c1-7-9-4-10-8(2)11(16)5-13(17)15(10,3)6-12(9)19-14(7)18/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11+,12-,13-,15-/m1/s1", "name": "Granilin", "names": [ "Granilin" ] }, { "compound_id": "C09471", "inchi": "InChI=1S/C16H16O5/c1-21-12-8-14(19)16(15(20)9-12)13(18)7-4-10-2-5-11(17)6-3-10/h2-3,5-6,8-9,17,19-20H,4,7H2,1H3", "name": "Asebogenin", "names": [ "Asebogenin", "Phloretin 4'-methyl ether" ] }, { "compound_id": "C09472", "inchi": "InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1", "name": "Grosshemin", "names": [ "Grosshemin" ] }, { "compound_id": "C09473", "inchi": "InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1", "name": "Helenalin", "names": [ "Helenalin" ] }, { "compound_id": "C09474", "inchi": "InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15+,16+,17-,20+/m0/s1", "name": "Heliangin", "names": [ "Heliangin" ] }, { "compound_id": "C09475", "inchi": "InChI=1S/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7+/t17-,18+,19+,20+/m0/s1", "name": "Hiyodorilactone A", "names": [ "Hiyodorilactone A" ] }, { "compound_id": "C09476", "inchi": "InChI=1S/C15H18O3/c1-8-6-7-15(17)10(3)14(16)18-13(15)12-9(2)4-5-11(8)12/h11-13,17H,1-7H2/t11-,12-,13+,15+/m0/s1", "name": "7alpha-Hydroxydehydrocostus lactone", "names": [ "7alpha-Hydroxydehydrocostus lactone" ] }, { "compound_id": "C09477", "inchi": "InChI=1S/C19H22O8/c1-9(7-20)16(21)26-13-6-19-14(27-19)4-3-11(8-24-18(19)23)5-12-15(13)10(2)17(22)25-12/h5,12-15,18,20,23H,1-4,6-8H2/b11-5-/t12-,13+,14-,15+,18-,19-/m1/s1", "name": "Hydroxyvernolide", "names": [ "Hydroxyvernolide" ] }, { "compound_id": "C09478", "inchi": "InChI=1S/C22H26O10/c1-29-21-13(25)6-11(14-5-3-10-2-4-12(24)8-15(10)30-14)7-16(21)31-22-20(28)19(27)18(26)17(9-23)32-22/h2,4,6-8,14,17-20,22-28H,3,5,9H2,1H3/t14-,17+,18+,19-,20+,22+/m0/s1", "name": "Auriculoside", "names": [ "7,3',5'-Trihydroxy-4'-methoxyflavan 3'-glucoside", "Auriculoside" ] }, { "compound_id": "C09479", "inchi": "InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3/t13-/m0/s1", "name": "Betagarin", "names": [ "5,2'-Dimethoxy-6,7-methylenedioxyflavanone", "Betagarin" ] }, { "compound_id": "C09480", "inchi": "InChI=1S/C15H20O5/c1-8-5-11-10(15(19,7-16)13(18)20-11)6-14(2)9(8)3-4-12(14)17/h3-4,8-11,16,19H,5-7H2,1-2H3/t8-,9+,10+,11-,14+,15?/m1/s1", "name": "Hymenoflorin", "names": [ "Hymenoflorin" ] }, { "compound_id": "C09481", "inchi": "InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-10,12,18H,4-5H2,1-3H3/t8-,9+,10-,12+,14-,15+/m0/s1", "name": "Hymenolin", "names": [ "Hymenolin" ] }, { "compound_id": "C09482", "inchi": "InChI=1S/C15H22O5/c1-7-4-11-9(8(2)13(17)19-11)6-15(3)10(7)5-12(16)20-14(15)18/h7,9-12,14,16,18H,2,4-6H2,1,3H3/t7-,9-,10+,11-,12-,14-,15+/m1/s1", "name": "Hymenoxon", "names": [ "Hymenoxon" ] }, { "compound_id": "C09483", "inchi": "InChI=1S/C17H24O5/c1-9-8-14-15(11(3)17(20)22-14)16(19)10(2)13(9)6-5-7-21-12(4)18/h10,14-16,19H,3,5-8H2,1-2,4H3/t10-,14-,15-,16-/m1/s1", "name": "Inulicin", "names": [ "Inulicin" ] }, { "compound_id": "C09484", "inchi": "InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1", "name": "Isoalantolactone", "names": [ "Isoalantolactone" ] }, { "compound_id": "C09485", "inchi": "InChI=1S/C15H18O5/c1-7-5-10-12(8(6-16)14(19)20-10)13(18)15(2)9(7)3-4-11(15)17/h3-4,7,9-10,13,16,18H,5-6H2,1-2H3/t7-,9+,10-,13+,15+/m1/s1", "name": "Isohelenol", "names": [ "Isohelenol" ] }, { "compound_id": "C09486", "inchi": "InChI=1S/C22H30O7/c1-7-11(2)19(24)27-15-10-21(5,26)14-9-8-12(3)16(14)18-17(15)22(6,20(25)28-18)29-13(4)23/h7-8,14-18,26H,9-10H2,1-6H3/b11-7-/t14-,15-,16+,17+,18-,21-,22-/m0/s1", "name": "Isomontanolide", "names": [ "Isomontanolide" ] }, { "compound_id": "C09487", "inchi": "InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9-,11+,12+,14-,15-,17+/m1/s1", "name": "Isotenulin", "names": [ "Isotenulin" ] }, { "compound_id": "C09488", "inchi": "InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13+,15+/m0/s1", "name": "Ivalin", "names": [ "Ivalin" ] }, { "compound_id": "C09489", "inchi": "InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3/t9-,12+,13-,14-/m0/s1", "name": "Lactucin", "names": [ "Lactucin" ] }, { "compound_id": "C09490", "inchi": "InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1", "name": "Lactupicrin", "names": [ "Lactupicrin" ] }, { "compound_id": "C09491", "inchi": "InChI=1S/C22H30O6/c1-7-15(4)20(24)28-22(6)19-17(26-16(5)23)11-13(2)9-8-10-14(3)12-18(19)27-21(22)25/h7,9,12,17-19H,8,10-11H2,1-6H3/b13-9+,14-12+,15-7-/t17-,18-,19+,22-/m0/s1", "name": "Laserolide", "names": [ "Laserolide" ] }, { "compound_id": "C09492", "inchi": "InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8+,11-7+/t14-,15+,16+/m1/s1", "name": "Laurenobiolide", "names": [ "Laurenobiolide" ] }, { "compound_id": "C09493", "inchi": "InChI=1S/C22H26O8/c1-6-15(11-27-14(4)23)20(25)29-17-10-21(5)7-8-22(26,30-21)12(2)9-16-18(17)13(3)19(24)28-16/h6-9,16-18,26H,3,10-11H2,1-2,4-5H3/b12-9-,15-6-/t16-,17-,18+,21+,22-/m1/s1", "name": "Liatrin", "names": [ "Liatrin" ] }, { "compound_id": "C09494", "inchi": "InChI=1S/C17H22O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9,12-13,15H,2,4-8H2,1,3H3/t9-,12-,13-,15+,17-/m0/s1", "name": "Ligulatin B", "names": [ "Incanin", "Ligulatin B" ] }, { "compound_id": "C09495", "inchi": "InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15-/m0/s1", "name": "Linderane", "names": [ "Linderane" ] }, { "compound_id": "C09496", "inchi": "InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15-,17+/m1/s1", "name": "Linifolin A", "names": [ "Linifolin A" ] }, { "compound_id": "C09497", "inchi": "InChI=1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-13(10(2)16(19)21-14)12(8-9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6+/t12-,13-,14+,15?,17-/m1/s1", "name": "Lipiferolide", "names": [ "Lipiferolide" ] }, { "compound_id": "C09498", "inchi": "InChI=1S/C15H20O4/c1-7-8-4-5-14(2)9(16)6-10-15(3,19-10)12(14)11(8)18-13(7)17/h8-12,16H,1,4-6H2,2-3H3/t8-,9-,10+,11-,12+,14-,15+/m0/s1", "name": "Ludovicin A", "names": [ "Ludovicin A" ] }, { "compound_id": "C09499", "inchi": "InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3/t9-,12-,13+,14-,15-,17+/m0/s1", "name": "Matricin", "names": [ "Matricin" ] }, { "compound_id": "C09500", "inchi": "InChI=1S/C21H24O9/c1-8-6-12-14(9(2)18(23)28-12)17(29-20(25)21(4)10(3)30-21)15(22)11(19(24)26-5)7-13-16(8)27-13/h6-7,10,12-17,22H,2H2,1,3-5H3/b8-6+,11-7+/t10-,12-,13-,14+,15+,16+,17+,21-/m1/s1", "name": "Melampodin A", "names": [ "Melampodin A" ] }, { "compound_id": "C09501", "inchi": "InChI=1S/C25H30O12/c1-10-8-16-18(11(2)22(28)36-16)21(37-24(30)25(6,31)12(3)33-13(4)26)20(34-14(5)27)15(23(29)32-7)9-17-19(10)35-17/h8-9,12,16-21,31H,2H2,1,3-7H3/b10-8+,15-9+/t12-,16+,17+,18-,19-,20-,21-,25+/m0/s1", "name": "Melampodinin", "names": [ "Melampodinin" ] }, { "compound_id": "C09502", "inchi": "InChI=1S/C15H18O7/c1-5(2)14(18)6-11(17)22-8(14)7(16)12(3)13(4-20-13)9-10(21-9)15(6,12)19/h6-10,16,18-19H,1,4H2,2-3H3/t6-,7+,8-,9+,10-,12-,13+,14+,15-/m0/s1", "name": "Mellitoxin", "names": [ "Hyenanchin", "Mellitoxin" ] }, { "compound_id": "C09503", "inchi": "InChI=1S/C14H16O3/c1-7-5-13-10(8(2)14(16)17-13)6-11-9(7)3-4-12(11)15/h3-4,7,9-11,13H,2,5-6H2,1H3/t7-,9+,10-,11-,13-/m1/s1", "name": "Mexicanin E", "names": [ "Mexicanin E" ] }, { "compound_id": "C09504", "inchi": "InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10+,12-,13-,15+/m1/s1", "name": "Mexicanin I", "names": [ "Mexicanin I" ] }, { "compound_id": "C09505", "inchi": "InChI=1S/C16H16O3/c1-18-14-7-3-11(4-8-14)15-9-5-12-2-6-13(17)10-16(12)19-15/h2-4,6-8,10,15,17H,5,9H2,1H3/t15-/m0/s1", "name": "Broussin", "names": [ "7-Hydroxy-4'-methoxyflavan", "Broussin" ] }, { "compound_id": "C09506", "inchi": "InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(18-14)5-7-15(3)12(19-15)11(9)17-13(8)16/h9-12H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14+,15+/m0/s1", "name": "Michelenolide", "names": [ "Michelenolide" ] }, { "compound_id": "C09507", "inchi": "InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15+/m0/s1", "name": "Micheliolide", "names": [ "Micheliolide" ] }, { "compound_id": "C09508", "inchi": "InChI=1S/C15H18O4/c1-7-3-10-9(8(2)14(17)19-10)5-15-6-18-11(13(7)15)4-12(15)16/h7,9-11,13H,2-6H2,1H3/t7-,9-,10-,11-,13-,15+/m1/s1", "name": "Microhelenin A", "names": [ "Microhelenin A" ] }, { "compound_id": "C09509", "inchi": "InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6+/t11-,12+,13+,14-,16-,17+,20+/m1/s1", "name": "Microhelenin C", "names": [ "Microhelenin C" ] }, { "compound_id": "C09510", "inchi": "InChI=1S/C29H34O7/c1-12-7-19-23(24(32)27(4)17(12)5-6-20(27)30)29(26(34)36-19)10-15-9-21(31)28(29)11-16-14(3)25(33)35-18(16)8-13(2)22(15)28/h5-6,12-13,15-19,22-24,32H,3,7-11H2,1-2,4H3/t12-,13-,15-,16-,17+,18-,19-,22-,23-,24+,27+,28-,29-/m1/s1", "name": "Microlenin", "names": [ "Microlenin" ] }, { "compound_id": "C09511", "inchi": "InChI=1S/C15H14O6/c1-5-9-7-3-6(14(17)18-7)10-11(20-10)12-15(2,21-12)4-8(9)19-13(5)16/h3,7-12H,1,4H2,2H3/t7-,8+,9+,10-,11-,12+,15+/m1/s1", "name": "Mikanolide", "names": [ "Mikanolide" ] }, { "compound_id": "C09512", "inchi": "InChI=1S/C19H22O6/c1-9(2)18(22)24-14-7-10(3)6-13(20)8-11(4)16(21)17-15(14)12(5)19(23)25-17/h6,8,14-17,21H,1,5,7H2,2-4H3/b10-6+,11-8-/t14-,15+,16-,17-/m0/s1", "name": "Molephantin", "names": [ "Molephantin" ] }, { "compound_id": "C09513", "inchi": "InChI=1S/C20H24O6/c1-6-11(3)19(23)25-15-8-10(2)7-14(21)9-12(4)17(22)18-16(15)13(5)20(24)26-18/h6-7,9,15-18,22H,5,8H2,1-4H3/b10-7+,11-6+,12-9-/t15-,16+,17-,18-/m0/s1", "name": "Molephantinin", "names": [ "Molephantinin" ] }, { "compound_id": "C09514", "inchi": "InChI=1S/C20H24O6/c1-6-9(2)18(23)26-17-14-11(4)19(24)25-16(14)15(22)10(3)12-7-8-13(21)20(12,17)5/h6-8,10,12,14-17,22H,4H2,1-3,5H3/b9-6-/t10-,12-,14+,15+,16-,17-,20-/m0/s1", "name": "Multigilin", "names": [ "Multigilin" ] }, { "compound_id": "C09515", "inchi": "InChI=1S/C20H22O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10,12,15,17-18H,4H2,1-3,5H3/t10-,12-,15+,17-,18-,20-/m0/s1", "name": "Multiradiatin", "names": [ "Multiradiatin" ] }, { "compound_id": "C09516", "inchi": "InChI=1S/C20H22O6/c1-6-9(2)18(23)26-17-14-11(4)19(24)25-16(14)15(22)10(3)12-7-8-13(21)20(12,17)5/h6-8,10,12,14,16-17H,4H2,1-3,5H3/b9-6+/t10-,12-,14+,16-,17-,20-/m0/s1", "name": "Multistatin", "names": [ "Multistatin" ] }, { "compound_id": "C09517", "inchi": "InChI=1S/C20H26O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h6-7,13-16,21,24H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14-,15+,16+,19-,20-/m1/s1", "name": "Niveusin C", "names": [ "Niveusin C" ] }, { "compound_id": "C09518", "inchi": "InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10-/t15-,16-,17+,18+/m0/s1", "name": "Nobilin", "names": [ "Nobilin" ] }, { "compound_id": "C09519", "inchi": "InChI=1S/C14H20O2/c1-9-3-6-12-10(7-9)4-5-11-8-16-13(15)14(11,12)2/h4-5,9-12H,3,6-8H2,1-2H3/t9-,10-,11+,12-,14-/m0/s1", "name": "Oblongolide", "names": [ "Oblongolide" ] }, { "compound_id": "C09520", "inchi": "InChI=1S/C19H24O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,15-17,20-21H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17+/m0/s1", "name": "Onopordopicrin", "names": [ "Onopordopicrin" ] }, { "compound_id": "C09521", "inchi": "InChI=1S/C19H26O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h6,9,12-15,20,23H,4,7-8H2,1-3,5H3/b10-6-/t12-,13-,14+,15+,18-,19-/m1/s1", "name": "Orizabin", "names": [ "Orizabin" ] }, { "compound_id": "C09522", "inchi": "InChI=1S/C17H22O5/c1-10-5-4-6-13(9-21-12(3)18)8-14(19)16-11(2)17(20)22-15(16)7-10/h6-7,14-16,19H,2,4-5,8-9H2,1,3H3/b10-7+,13-6-/t14-,15-,16-/m1/s1", "name": "Ovatifolin", "names": [ "Ovatifolin" ] }, { "compound_id": "C09523", "inchi": "InChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,10,12,18H,2,4-5H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1", "name": "Parthenin", "names": [ "Parthenin" ] }, { "compound_id": "C09524", "inchi": "InChI=1S/C20H24O3/c1-14(2)6-8-17-10-15(7-9-20(17)23)4-3-5-16-11-18(21)13-19(22)12-16/h6-7,9-13,21-23H,3-5,8H2,1-2H3", "name": "Broussonin C", "names": [ "Broussonin C" ] }, { "compound_id": "C09525", "inchi": "InChI=1S/C23H32O10/c1-9-5-13-12(10(2)21(29)31-13)7-23(4)16(25)6-14(17(9)23)32-22-20(28)19(27)18(26)15(33-22)8-30-11(3)24/h9,12-15,17-20,22,26-28H,2,5-8H2,1,3-4H3/t9-,12-,13-,14?,15-,17-,18-,19+,20-,22?,23-/m1/s1", "name": "Paucin", "names": [ "Paucin" ] }, { "compound_id": "C09526", "inchi": "InChI=1S/C17H22O7/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-14(13)15-17(4,23-15)6-5-11(8)24-20/h11-15,20H,1-2,5-7H2,3-4H3/t11-,12-,13-,14+,15-,17-/m1/s1", "name": "1-Peroxyferolide", "names": [ "1-Peroxyferolide" ] }, { "compound_id": "C09527", "inchi": "InChI=1S/C21H26O6/c1-7-24-21-9-12(4)8-15(25-19(22)11(2)3)16-14(6)20(23)26-18(16)17(27-21)13(5)10-21/h9-10,15-18H,2,6-8H2,1,3-5H3/t15-,16+,17-,18-,21-/m0/s1", "name": "Phantomolin", "names": [ "Phantomolin" ] }, { "compound_id": "C09528", "inchi": "InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1", "name": "Picrotin", "names": [ "Picrotin" ] }, { "compound_id": "C09529", "inchi": "InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1", "name": "Picrotoxinin", "names": [ "Picrotoxinin" ] }, { "compound_id": "C09530", "inchi": "InChI=1S/C15H20O4/c1-7-4-12-9(8(2)14(17)19-12)5-10-13(7)11(16)6-15(10,3)18/h4,9-13,16,18H,2,5-6H2,1,3H3/t9-,10-,11+,12-,13-,15-/m1/s1", "name": "Pleniradin", "names": [ "Pleniradin" ] }, { "compound_id": "C09531", "inchi": "InChI=1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7-10,12-13,17H,6H2,1-3H3/t7-,8+,9+,10-,12-,13+,15+/m1/s1", "name": "Plenolin", "names": [ "Plenolin" ] }, { "compound_id": "C09532", "inchi": "InChI=1S/C23H32O8/c1-11(2)20(26)28-16-10-22(6,30-13(4)24)15-9-8-12(3)17(15)19-18(16)23(7,21(27)29-19)31-14(5)25/h8,11,15-19H,9-10H2,1-7H3/t15-,16+,17-,18-,19+,22+,23+/m1/s1", "name": "Polhovolide", "names": [ "Polhovolide" ] }, { "compound_id": "C09533", "inchi": "InChI=1S/C27H34O10/c1-6-19(13-29)26(32)34-14-20(9-10-28)27(33)37-22-11-15(2)7-8-21(35-18(5)30)16(3)12-23-24(22)17(4)25(31)36-23/h6-7,9,12,21-24,28-29H,4,8,10-11,13-14H2,1-3,5H3/b15-7+,16-12-,19-6+,20-9+/t21-,22+,23+,24+/m0/s1", "name": "Provincialin", "names": [ "Provincialin" ] }, { "compound_id": "C09534", "inchi": "InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15-/m1/s1", "name": "Pseudoivalin", "names": [ "Pseudoivalin" ] }, { "compound_id": "C09535", "inchi": "InChI=1S/C20H28O6/c1-6-14(4)19(23)25-16(9-12(2)7-8-21)18-15(5)20(24)26-17(18)10-13(3)11-22/h6-7,10,16-18,21-22H,5,8-9,11H2,1-4H3/b12-7+,13-10+,14-6-/t16-,17-,18-/m1/s1", "name": "Pycnolide", "names": [ "Pycnolide" ] }, { "compound_id": "C09536", "inchi": "InChI=1S/C17H22O5/c1-9-5-6-14-17(4,22-14)8-13-15(10(2)16(19)21-13)12(7-9)20-11(3)18/h7,12-15H,2,5-6,8H2,1,3-4H3/b9-7+/t12-,13+,14-,15+,17-/m1/s1", "name": "Pyrethrosin", "names": [ "Pyrethrosin" ] }, { "compound_id": "C09537", "inchi": "InChI=1S/C15H20O3/c1-14(2)7-15-9-4-3-8(14)10(15)5-12(16)11(15)6-18-13(9)17/h8-11H,3-7H2,1-2H3/t8-,9+,10?,11+,15-/m0/s1", "name": "Quadrone", "names": [ "Quadrone" ] }, { "compound_id": "C09538", "inchi": "InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1", "name": "Qing Hau Sau", "names": [ "Artemisinin", "Qing Hau Sau" ] }, { "compound_id": "C09539", "inchi": "InChI=1S/C19H24O6/c1-8(2)17(22)25-16-13-10(4)18(23)24-15(13)14(21)9(3)11-6-7-12(20)19(11,16)5/h6-7,9-11,13-16,21H,1H2,2-5H3/t9-,10-,11-,13+,14+,15-,16-,19-/m0/s1", "name": "Radiatin", "names": [ "Radiatin" ] }, { "compound_id": "C09540", "inchi": "InChI=1S/C15H20O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,11-14,16-17H,1,3-5,7H2,2H3/b9-6+/t11-,12+,13-,14+/m0/s1", "name": "Ridentin", "names": [ "Ridentin" ] }, { "compound_id": "C09541", "inchi": "InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1", "name": "(S)-Isoboldine", "names": [ "(+)-Isoboldine", "(S)-Isoboldine", "2,10-Dimethoxy-6aalpha-aporphine-1,9-diol", "Isoboldine" ] }, { "compound_id": "C09542", "inchi": "InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1", "name": "Salonitenolide", "names": [ "Salonitenolide" ] }, { "compound_id": "C09543", "inchi": "InChI=1S/C36H38N2O6/c1-37-15-13-23-19-29(41-3)33(39)35-31(23)27(37)17-21-5-9-26(10-6-21)44-36-32-24(20-30(42-4)34(36)40)14-16-38(2)28(32)18-22-7-11-25(43-35)12-8-22/h5-12,19-20,27-28,39-40H,13-18H2,1-4H3/t27-,28-/m1/s1", "name": "Isochondrodendrine", "names": [ "Isochondrodendrine" ] }, { "compound_id": "C09544", "inchi": "InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1", "name": "Santamarin", "names": [ "Santamarin" ] }, { "compound_id": "C09545", "inchi": "InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10+,13+,15+/m1/s1", "name": "beta-Santonin", "names": [ "beta-Santonin" ] }, { "compound_id": "C09546", "inchi": "InChI=1S/C18H23NO2/c1-20-15-5-3-13-7-9-19-10-8-14-4-6-16(21-2)12-18(14,19)17(13)11-15/h3-6,11,14,16H,7-10,12H2,1-2H3/t14-,16-,18-/m0/s1", "name": "Isococculidine", "names": [ "Erythrinan, 1,2-didehydro-3,15-dimethoxy-, (3-beta)-", "Isococculidine" ] }, { "compound_id": "C09547", "inchi": "InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2", "name": "Saupirin", "names": [ "Saupirin" ] }, { "compound_id": "C09548", "inchi": "InChI=1S/C16H20O4/c1-10-5-4-6-12(16(18)19-3)7-8-13-11(2)15(17)20-14(13)9-10/h5,7,13-14H,2,4,6,8-9H2,1,3H3/b10-5+,12-7-/t13-,14+/m1/s1", "name": "Scorpioidin", "names": [ "Scorpioidin" ] }, { "compound_id": "C09549", "inchi": "InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1", "name": "Isocorydine", "names": [ "Isocorydine" ] }, { "compound_id": "C09550", "inchi": "InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1", "name": "Isothebaine", "names": [ "Isothebaine" ] }, { "compound_id": "C09551", "inchi": "InChI=1S/C27H32O10/c1-6-16(10-28)25(31)33-11-17(7-2)26(32)36-19-9-27(12-34-27)22-18(35-15(5)29)8-13(3)20(22)23-21(19)14(4)24(30)37-23/h6-8,18-23,28H,4,9-12H2,1-3,5H3/b16-6+,17-7+/t18-,19-,20+,21-,22-,23-,27+/m1/s1", "name": "Spicatin", "names": [ "Spicatin" ] }, { "compound_id": "C09552", "inchi": "InChI=1S/C15H18O4/c1-8-3-4-10-12(19-13(17)15(10)7-18-15)14(2)9(8)5-6-11(14)16/h5-6,8-10,12H,3-4,7H2,1-2H3/t8-,9-,10+,12+,14-,15-/m0/s1", "name": "Stramonin B", "names": [ "Stramonin B" ] }, { "compound_id": "C09553", "inchi": "InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1", "name": "Jatrorrhizine", "names": [ "Jatrorrhizine" ] }, { "compound_id": "C09554", "inchi": "InChI=1S/C19H24O6/c1-10(2)16(20)24-14-9-18(5)6-7-19(22,25-18)11(3)8-13-15(14)12(4)17(21)23-13/h6-8,10,13-15,22H,4,9H2,1-3,5H3/b11-8-/t13-,14-,15+,18+,19-/m1/s1", "name": "Tagitinin F", "names": [ "Tagitinin F" ] }, { "compound_id": "C09555", "inchi": "InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m1/s1", "name": "(-)-Laudanidine", "names": [ "(-)-Laudanidine" ] }, { "compound_id": "C09556", "inchi": "InChI=1S/C15H20O3/c1-9-4-5-13-11(3)15(17)18-14(13)8-10(2)7-12(16)6-9/h6,8,12-14,16H,3-5,7H2,1-2H3/b9-6+,10-8+/t12-,13-,14+/m1/s1", "name": "Tamaulipin A", "names": [ "Tamaulipin A" ] }, { "compound_id": "C09557", "inchi": "InChI=1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9+,10+,12-,13-,15+,16+,17?/m1/s1", "name": "Tenulin", "names": [ "Tenulin" ] }, { "compound_id": "C09558", "inchi": "InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-/m0/s1", "name": "Laudanosine", "names": [ "Laudanosine" ] }, { "compound_id": "C09559", "inchi": "InChI=1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1", "name": "Tetraneurin A", "names": [ "Tetraneurin A" ] }, { "compound_id": "C09560", "inchi": "InChI=1S/C17H24O6/c1-9-12-5-4-11(8-18)17(21)7-6-13(22-10(2)19)16(17,3)14(12)23-15(9)20/h11-14,18,21H,1,4-8H2,2-3H3/t11-,12+,13+,14-,16+,17-/m1/s1", "name": "Tetraneurin E", "names": [ "Ambrosanolide", "Tetraneurin E" ] }, { "compound_id": "C09561", "inchi": "InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1", "name": "Thapsigargin", "names": [ "Thapsigargin" ] }, { "compound_id": "C09562", "inchi": "InChI=1S/C15H20O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h6,9,13-14H,3-5,7-8H2,1-2H3/t9-,13+,14+/m0/s1", "name": "Tomentosin", "names": [ "Tomentosin" ] }, { "compound_id": "C09563", "inchi": "InChI=1S/C27H38O10/c1-9-13(3)22(29)34-18-11-17-20(15(18)5)21-27(33,26(8,32)24(31)36-21)19(35-23(30)14(4)10-2)12-25(17,7)37-16(6)28/h9,14,17-19,21,32-33H,10-12H2,1-8H3/b13-9-/t14-,17-,18+,19-,21-,25-,26+,27+/m0/s1", "name": "Trilobolide", "names": [ "Trilobolide" ] }, { "compound_id": "C09564", "inchi": "InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,14-16H,3,5,7-8H2,1-2,4H3/b10-6+,11-9+/t14-,15+,16+/m0/s1", "name": "Tulipinolide", "names": [ "Tulipinolide" ] }, { "compound_id": "C09565", "inchi": "InChI=1S/C19H23NO3/c1-21-15-5-4-13-6-8-20-9-7-14-10-18(22-2)19(23-3)12-17(14)16(13)11-15/h4-5,10-12,20H,6-9H2,1-3H3", "name": "Laurifine", "names": [ "Laurifine" ] }, { "compound_id": "C09566", "inchi": "InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,14-16H,3,5,7-8H2,1-2,4H3/b10-6+,11-9+/t14-,15-,16-/m1/s1", "name": "epi-Tulipinolide", "names": [ "epi-Tulipinolide" ] }, { "compound_id": "C09567", "inchi": "InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2", "name": "Liriodenine", "names": [ "Liriodenine", "Oxoushinsunine" ] }, { "compound_id": "C09568", "inchi": "InChI=1S/C17H22O6/c1-8-12-10(20-9(2)18)7-17(4)11(22-17)5-6-16(3)14(23-16)13(12)21-15(8)19/h10-14H,1,5-7H2,2-4H3/t10-,11-,12-,13+,14-,16-,17-/m1/s1", "name": "epi-Tulipinolide diepoxide", "names": [ "epi-Tulipinolide diepoxide" ] }, { "compound_id": "C09569", "inchi": "InChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-5,8-9,19-20H,6-7H2,1H3", "name": "Longifolonine", "names": [ "Longifolonine" ] }, { "compound_id": "C09570", "inchi": "InChI=1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1", "name": "Tutin", "names": [ "Tutin" ] }, { "compound_id": "C09571", "inchi": "InChI=1S/C15H23NO2/c1-10(2)7-13-12-9-14(17)15(18-4)8-11(12)5-6-16(13)3/h8-10,13,17H,5-7H2,1-4H3", "name": "Lophocerine", "names": [ "Lophocerine" ] }, { "compound_id": "C09572", "inchi": "InChI=1S/C22H28O7/c1-11-7-8-16(26-15(5)23)12(2)10-18-19(13(3)20(24)27-18)17(9-11)28-21(25)22(6)14(4)29-22/h7,10,14,16-19H,3,8-9H2,1-2,4-6H3/b11-7+,12-10+/t14-,16+,17-,18+,19-,22-/m1/s1", "name": "Ursiniolide A", "names": [ "Ursiniolide A" ] }, { "compound_id": "C09573", "inchi": "InChI=1S/C13H17NO3/c1-8-11-9(4-5-14(8)2)6-10(15-3)12-13(11)17-7-16-12/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1", "name": "Lophophorine", "names": [ "Lophophorine" ] }, { "compound_id": "C09574", "inchi": "InChI=1S/C15H20O4/c1-8-4-12-10(9(2)14(17)19-12)6-15(3)7-18-13(16)5-11(8)15/h8,10-12H,2,4-7H2,1,3H3/t8-,10-,11+,12+,15-/m1/s1", "name": "Vermeerin", "names": [ "Vermeerin" ] }, { "compound_id": "C09575", "inchi": "InChI=1S/C19H13NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-6,13,21H,3,7-8H2/t13-/m1/s1", "name": "(+)-Luguine", "names": [ "(+)-Luguine" ] }, { "compound_id": "C09576", "inchi": "InChI=1S/C19H20O7/c1-5-19-6-12(25-16(21)9(2)7-20)13-10(3)18(23)26-15(13)14(19)11(4)17(22)24-8-19/h5,12-15,20H,1-4,6-8H2/t12-,13+,14+,15-,19+/m0/s1", "name": "Vernodalin", "names": [ "Vernodalin" ] }, { "compound_id": "C09577", "inchi": "InChI=1S/C20H24O8/c1-6-20-7-13(28-17(23)10(2)8-21)14(11(3)18(24)26-5)16(22)15(20)12(4)19(25)27-9-20/h6,13-16,21-22H,1-4,7-9H2,5H3/t13-,14+,15+,16-,20+/m0/s1", "name": "Vernodalol", "names": [ "Vernodalol" ] }, { "compound_id": "C09578", "inchi": "InChI=1S/C20H24O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h8,14-16,18-19H,3-7,9H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1", "name": "Vernoflexin", "names": [ "Vernoflexin" ] }, { "compound_id": "C09579", "inchi": "InChI=1S/C21H28O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h11-19,21-25H,1-7H2/t11-,12-,13-,14+,15-,16+,17-,18+,19-,21+/m0/s1", "name": "Vernoflexuoside", "names": [ "Vernoflexuoside" ] }, { "compound_id": "C09580", "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)17-29-35-25(13-15-39(29,2)3)20-34(43-5)36(41)37(35)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1", "name": "Macoline", "names": [ "Macoline" ] }, { "compound_id": "C09581", "inchi": "InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1", "name": "Magnoflorine", "names": [ "Magnoflorine" ] }, { "compound_id": "C09582", "inchi": "InChI=1S/C15H16O5/c1-4-15-5-9(16)10-7(2)14(18)20-12(10)11(15)8(3)13(17)19-6-15/h4,9-12,16H,1-3,5-6H2/t9-,10+,11+,12-,15+/m0/s1", "name": "Vernolepin", "names": [ "Vernolepin" ] }, { "compound_id": "C09583", "inchi": "InChI=1S/C19H22O7/c1-9(2)16(20)25-13-7-19-14(26-19)5-4-11(8-23-18(19)22)6-12-15(13)10(3)17(21)24-12/h6,12-15,18,22H,1,3-5,7-8H2,2H3/b11-6-/t12-,13+,14-,15+,18-,19-/m1/s1", "name": "Vernolide", "names": [ "Vernolide" ] }, { "compound_id": "C09584", "inchi": "InChI=1S/C15H16O5/c1-4-15-5-9-10(7(2)14(18)20-9)12(16)11(15)8(3)13(17)19-6-15/h4,9-12,16H,1-3,5-6H2/t9-,10+,11+,12-,15+/m0/s1", "name": "Vernomenin", "names": [ "Vernomenin" ] }, { "compound_id": "C09585", "inchi": "InChI=1S/C19H24O7/c1-9(2)16(20)25-13-7-19-14(26-19)5-4-11(8-23-18(19)22)6-12-15(13)10(3)17(21)24-12/h6,9,12-15,18,22H,3-5,7-8H2,1-2H3/b11-6-/t12-,13+,14-,15+,18-,19-/m1/s1", "name": "Vernomygdin", "names": [ "Vernomygdin" ] }, { "compound_id": "C09586", "inchi": "InChI=1S/C21H28O7/c1-10(2)19(23)27-16-9-21(6)17(28-21)8-14(25-13(5)22)11(3)7-15-18(16)12(4)20(24)26-15/h7,10,14-18H,4,8-9H2,1-3,5-6H3/b11-7-/t14-,15+,16+,17+,18-,21+/m0/s1", "name": "Viguiestenin", "names": [ "Viguiestenin" ] }, { "compound_id": "C09587", "inchi": "InChI=1S/C17H22O5/c1-7-5-11(20-9(3)18)13-8(2)16(19)21-15(13)14-10(7)6-12-17(14,4)22-12/h8,10-15H,1,5-6H2,2-4H3/t8-,10-,11-,12?,13+,14-,15-,17?/m0/s1", "name": "Viscidulin B", "names": [ "Viscidulin B" ] }, { "compound_id": "C09588", "inchi": "InChI=1S/C18H17NO3/c1-19-7-4-11-8-14-17(22-10-21-14)16-15(11)13(19)9-18(16)5-2-12(20)3-6-18/h2-3,5-6,8,13H,4,7,9-10H2,1H3/t13-/m0/s1", "name": "Mecambrine", "names": [ "Mecambrine" ] }, { "compound_id": "C09589", "inchi": "InChI=1S/C18H17NO3/c1-19-5-4-11-7-15-18(22-9-21-15)17-13-8-12(20)3-2-10(13)6-14(19)16(11)17/h2-3,7-8,14,20H,4-6,9H2,1H3/t14-/m0/s1", "name": "(+)-Mecambroline", "names": [ "(+)-Mecambroline" ] }, { "compound_id": "C09590", "inchi": "InChI=1/C38H42N2O6/c1-39-15-13-25-20-34-32(42-4)22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1", "name": "Thalmidine", "names": [ "Thalmidine" ] }, { "compound_id": "C09591", "inchi": "InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)", "name": "Narceine", "names": [ "Narceine" ] }, { "compound_id": "C09592", "inchi": "InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1", "name": "alpha-Narcotine", "names": [ "Noscapine", "alpha-Narcotine" ] }, { "compound_id": "C09593", "inchi": "InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1", "name": "Narcotoline", "names": [ "Narcotoline" ] }, { "compound_id": "C09594", "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17+,18+/m1/s1", "name": "Neopine", "names": [ "Neopine" ] }, { "compound_id": "C09595", "inchi": "InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1", "name": "Nitidine", "names": [ "Nitidine" ] }, { "compound_id": "C09596", "inchi": "InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1", "name": "Obaberine", "names": [ "Obaberine" ] }, { "compound_id": "C09597", "inchi": "InChI=1S/C21H21NO4/c1-12-14-4-5-18-20(26-11-25-18)15(14)10-21(12)16-9-19(24-3)17(23)8-13(16)6-7-22(21)2/h4-5,8-9,23H,1,6-7,10-11H2,2-3H3/t21-/m0/s1", "name": "Ochotensine", "names": [ "Ochotensine" ] }, { "compound_id": "C09598", "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1", "name": "Oxyacanthine", "names": [ "Oxyacanthine" ] }, { "compound_id": "C09599", "inchi": "InChI=1S/C20H19NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,22H,5-6,9-10H2,1-2H3/t20-/m0/s1", "name": "Parfumine", "names": [ "Parfumine" ] }, { "compound_id": "C09600", "inchi": "InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1", "name": "Vulgarin", "names": [ "Vulgarin" ] }, { "compound_id": "C09601", "inchi": "InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1", "name": "Xanthatin", "names": [ "Xanthatin" ] }, { "compound_id": "C09602", "inchi": "InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15-,16?/m0/s1", "name": "Xanthinin", "names": [ "Xanthinin" ] }, { "compound_id": "C09603", "inchi": "InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15+,16+/m0/s1", "name": "Xanthumin", "names": [ "Xanthumin" ] }, { "compound_id": "C09604", "inchi": "InChI=1S/C13H19NO3/c1-8-11-9(5-6-14(8)2)7-10(16-3)13(17-4)12(11)15/h7-8,15H,5-6H2,1-4H3/t8-/m1/s1", "name": "(-)-Pellotine", "names": [ "(-)-Pellotine", "Pellotine" ] }, { "compound_id": "C09605", "inchi": "InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14-/m0/s1", "name": "Xerantholide", "names": [ "Xerantholide" ] }, { "compound_id": "C09606", "inchi": "InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1", "name": "Zaluzanin C", "names": [ "Zaluzanin C" ] }, { "compound_id": "C09607", "inchi": "InChI=1S/C19H24O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h6,12-15,20,23H,1,4,7-8H2,2-3,5H3/b10-6-/t12-,13-,14+,15+,18-,19-/m1/s1", "name": "Zexbrevin B", "names": [ "Zexbrevin B" ] }, { "compound_id": "C09608", "inchi": "InChI=1S/C39H40N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-17,20-24H,18-19H2,1-7H3/q+2", "name": "Phaeantharine", "names": [ "Phaeantharine" ] }, { "compound_id": "C09609", "inchi": "InChI=1S/C45H65N3O6/c1-26(2)19-33-32-25-37(36(50-10)22-29(32)13-16-46(33)7)53-45-41-31(15-18-48(9)35(41)21-28(5)6)24-39(52-12)43(45)54-44-40-30(23-38(51-11)42(44)49)14-17-47(8)34(40)20-27(3)4/h22-28,33-35,49H,13-21H2,1-12H3", "name": "Pilocereine", "names": [ "Pilocereine" ] }, { "compound_id": "C09610", "inchi": "InChI=1S/C21H23NO6/c1-25-17-6-5-14(20(24)21(17)28-4)9-16-15-11-19(27-3)18(26-2)10-13(15)7-8-22(16)12-23/h5-6,9-12,24H,7-8H2,1-4H3/b16-9-", "name": "Polycarpine", "names": [ "Polycarpine" ] }, { "compound_id": "C09611", "inchi": "InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3/t14-/m1/s1", "name": "(+)-Pronuciferine", "names": [ "(+)-Pronuciferine" ] }, { "compound_id": "C09612", "inchi": "InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3/t17-,20-,24-/m0/s1", "name": "Psychotrine", "names": [ "Psychotrine" ] }, { "compound_id": "C09613", "inchi": "InChI=1S/C18H17NO3/c1-19-6-5-11-8-14-18(22-9-21-14)17-15(11)12(19)7-10-3-2-4-13(20)16(10)17/h2-4,8,12,20H,5-7,9H2,1H3/t12-/m1/s1", "name": "Pukateine", "names": [ "Pukateine" ] }, { "compound_id": "C09614", "inchi": "InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1", "name": "Butin", "names": [ "(-)-Butin", "7,3',4'-Trihydroxyflavanone", "Butin" ] }, { "compound_id": "C09615", "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m1/s1", "name": "Pycnamine", "names": [ "Pycnamine" ] }, { "compound_id": "C09616", "inchi": "InChI=1S/C27H32O15/c28-8-18-20(32)22(34)24(36)26(41-18)38-11-2-3-12-14(31)7-15(39-16(12)6-11)10-1-4-13(30)17(5-10)40-27-25(37)23(35)21(33)19(9-29)42-27/h1-6,15,18-30,32-37H,7-9H2/t15-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1", "name": "Butrin", "names": [ "Butin 7,3'-di-O-glucoside", "Butrin" ] }, { "compound_id": "C09617", "inchi": "InChI=1S/C20H22O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-5,14-15,17-27H,6-7H2/t14-,15+,17-,18+,19+,20-/m0/s1", "name": "Catechin 7-O-beta-D-xyloside", "names": [ "Catechin 7-O-beta-D-xyloside" ] }, { "compound_id": "C09618", "inchi": "InChI=1S/C15H14O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-2,4-7,9,16-17,19H,3,8H2", "name": "Davidigenin", "names": [ "2',4,4'-trihydroxychalcone", "4,2',4'-Trihydroxydihydrochalcone", "Davidigenin" ] }, { "compound_id": "C09619", "inchi": "InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1", "name": "Rhoeadine", "names": [ "Rhoeadine" ] }, { "compound_id": "C09621", "inchi": "InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1", "name": "(-)-alpha-Bisabolol", "names": [ "(-)-alpha-Bisabolol", "Levomenol" ] }, { "compound_id": "C09622", "inchi": "InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1", "name": "Botrydial", "names": [ "Botrydial" ] }, { "compound_id": "C09623", "inchi": "InChI=1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/b11-8+/t13-,14+,16-/m1/s1", "name": "Buddledin A", "names": [ "Buddledin A" ] }, { "compound_id": "C09624", "inchi": "InChI=1S/C38H42N2O6/c1-39-13-11-24-19-33(43-4)34-21-26(24)29(39)17-22-7-9-31(41)27(15-22)28-16-23(8-10-32(28)42-3)18-30-36-25(12-14-40(30)2)20-35(44-5)37(45-6)38(36)46-34/h7-10,15-16,19-21,29-30,41H,11-14,17-18H2,1-6H3/t29-,30+/m1/s1", "name": "Rodiasine", "names": [ "Rodiasine" ] }, { "compound_id": "C09625", "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1", "name": "beta-Cadinene", "names": [ "beta-Cadinene" ] }, { "compound_id": "C09626", "inchi": "InChI=1S/C15H20O3/c1-10-6-7-14(3)13(11(10)2)5-4-12(8-16)15(14,18)9-17/h4,8-10,13,18H,2,5-7H2,1,3H3/t10-,13-,14-,15+/m0/s1", "name": "Canellal", "names": [ "Canellal", "Muzigadial" ] }, { "compound_id": "C09627", "inchi": "InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1", "name": "Capsidiol", "names": [ "Capsidiol" ] }, { "compound_id": "C09628", "inchi": "InChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3/t13-,14+,15+/m1/s1", "name": "Carotol", "names": [ "Carotol" ] }, { "compound_id": "C09629", "inchi": "InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1", "name": "beta-Caryophyllene", "names": [ "Caryophyllene", "beta-Caryophyllene" ] }, { "compound_id": "C09630", "inchi": "InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1", "name": "alpha-Cedrene", "names": [ "alpha-Cedrene" ] }, { "compound_id": "C09631", "inchi": "InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1", "name": "alpha-Cedrol", "names": [ "Cedrol", "alpha-Cedrol" ] }, { "compound_id": "C09632", "inchi": "InChI=1S/C15H26O2/c1-10-6-7-11-12(13(10)16)14(2,3)8-5-9-15(11,4)17/h6,11-13,16-17H,5,7-9H2,1-4H3/t11-,12-,13+,15+/m1/s1", "name": "Centarol", "names": [ "Centarol" ] }, { "compound_id": "C09633", "inchi": "InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3", "name": "Chamazulene", "names": [ "Chamazulene" ] }, { "compound_id": "C09634", "inchi": "InChI=1S/C19H15NO6/c1-23-13-4-3-11(18(22)19(13)24-2)17(21)16-12-8-15-14(25-9-26-15)7-10(12)5-6-20-16/h3-8,22H,9H2,1-2H3", "name": "Rugosinone", "names": [ "1,3-Dioxolo[4,5-g]isoquinolin-5-yl(2-hydroxy-3,4-dimethoxyphenyl)methanone", "Rugosinone" ] }, { "compound_id": "C09635", "inchi": "InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h6-7H,5,8-11H2,1-4H3/t15-/m1/s1", "name": "alpha-Chamigrene", "names": [ "alpha-Chamigrene" ] }, { "compound_id": "C09636", "inchi": "InChI=1S/C23H28O10/c1-29-15-5-3-11(7-18(15)30-2)14-6-4-13-16(31-14)8-12(25)9-17(13)32-23-22(28)21(27)20(26)19(10-24)33-23/h3,5,7-9,14,19-28H,4,6,10H2,1-2H3/t14-,19+,20+,21-,22+,23+/m0/s1", "name": "Diffutin", "names": [ "Diffutin" ] }, { "compound_id": "C09637", "inchi": "InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m1/s1", "name": "beta-Chamigrene", "names": [ "beta-Chamigrene" ] }, { "compound_id": "C09638", "inchi": "InChI=1S/C17H24O5/c1-11(20)22-13-8-12(9-18)17(21,10-19)16(4)7-5-6-15(2,3)14(13)16/h8-10,13-14,21H,5-7H2,1-4H3/t13-,14+,16+,17-/m1/s1", "name": "Cinnamodial", "names": [ "Cinnamodial" ] }, { "compound_id": "C09639", "inchi": "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12?,13?,14?,15-/m1/s1", "name": "alpha-Copaene", "names": [ "Copaene", "alpha-Copaene" ] }, { "compound_id": "C09640", "inchi": "InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/t7-/m0/s1", "name": "(-)-Salsoline", "names": [ "(-)-Salsoline" ] }, { "compound_id": "C09641", "inchi": "InChI=1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2/t14-/m0/s1", "name": "7,4'-Dihydroxyflavan", "names": [ "7,4'-Dihydroxyflavan" ] }, { "compound_id": "C09642", "inchi": "InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1", "name": "(-)-Salsolinol", "names": [ "(-)-Salsolinol", "6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, (S)-", "Salsolinol" ] }, { "compound_id": "C09643", "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1", "name": "Sinomenine", "names": [ "Sinomenine" ] }, { "compound_id": "C09644", "inchi": "InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3", "name": "2',6'-Dihydroxy-4'-methoxydihydrochalcone", "names": [ "2',6'-Dihydroxy-4'-methoxydihydrochalcone" ] }, { "compound_id": "C09645", "inchi": "InChI=1S/C15H24O3/c1-9(2)10-7-12-14(3,8-11(10)16)6-5-13(17)15(12,4)18/h12-13,17-18H,5-8H2,1-4H3/t12-,13-,14-,15+/m1/s1", "name": "Cuauhtemone", "names": [ "Cuauhtemone" ] }, { "compound_id": "C09646", "inchi": "InChI=1S/C17H18O4/c1-10-13(18)6-3-11-4-7-15(21-17(10)11)12-5-8-16(20-2)14(19)9-12/h3,5-6,8-9,15,18-19H,4,7H2,1-2H3/t15-/m0/s1", "name": "7,3'-Dihydroxy-4'-methoxy-8-methylflavan", "names": [ "7,3'-Dihydroxy-4'-methoxy-8-methylflavan" ] }, { "compound_id": "C09647", "inchi": "InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1", "name": "alpha-Cubebene", "names": [ "alpha-Cubebene" ] }, { "compound_id": "C09648", "inchi": "InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1", "name": "beta-Cubebene", "names": [ "beta-Cubebene" ] }, { "compound_id": "C09649", "inchi": "InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1", "name": "alpha-Curcumene", "names": [ "Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (R)-", "alpha-Curcumene", "l-alpha-Curcumene" ] }, { "compound_id": "C09650", "inchi": "InChI=1S/C16H16O3/c1-10-14(18)8-4-12-5-9-15(19-16(10)12)11-2-6-13(17)7-3-11/h2-4,6-8,15,17-18H,5,9H2,1H3/t15-/m0/s1", "name": "7,4'-Dihydroxy-8-methylflavan", "names": [ "7,4'-Dihydroxy-8-methylflavan" ] }, { "compound_id": "C09651", "inchi": "InChI=1S/C15H26O/c1-11-6-5-7-13(4)8-9-14(12(2,3)16)10-15(11,13)14/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15+/m0/s1", "name": "Cycloeudesmol", "names": [ "Cycloeudesmol" ] }, { "compound_id": "C09652", "inchi": "InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3/t11-,12+,13-,14+,15+/m1/s1", "name": "Daucol", "names": [ "Daucol" ] }, { "compound_id": "C09653", "inchi": "InChI=1S/C15H26O2/c1-11-5-4-6-12-7-8-13(9-14(11,12)2)15(3,17)10-16/h7,11,13,16-17H,4-6,8-10H2,1-3H3/t11-,13-,14-,15-/m1/s1", "name": "Debneyol", "names": [ "Debneyol" ] }, { "compound_id": "C09654", "inchi": "InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1", "name": "(+)-Tetrandrine", "names": [ "(+)-Tetrandrine", "Tetrandrine" ] }, { "compound_id": "C09655", "inchi": "InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1", "name": "Thalicarpine", "names": [ "Thalicarpine" ] }, { "compound_id": "C09656", "inchi": "InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1", "name": "Thalidasine", "names": [ "Thalidasine" ] }, { "compound_id": "C09657", "inchi": "InChI=1S/C16H24O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,9,12-13H,5-6,8,10H2,1-4H3/t12-,13+/m1/s1", "name": "Dehydrojuvabione", "names": [ "(4R)-4-[(1R)-1,5-Dimethyl-3-oxo-4-hexenyl]-1-cyclohexene-1-carboxylic acid methyl ester", "Dehydrojuvabione" ] }, { "compound_id": "C09658", "inchi": "InChI=1S/C15H18O2/c1-10(2)8-14(16)15-11(3)4-5-13(15)12-6-7-17-9-12/h6-9,11H,4-5H2,1-3H3/t11-/m0/s1", "name": "Dehydromyodesmone", "names": [ "Dehydromyodesmone" ] }, { "compound_id": "C09659", "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)17-23-8-11-31(41-3)33(18-23)44-25-9-6-22(7-10-25)16-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3/t29-,30-/m0/s1", "name": "Thalmine", "names": [ "Thalmine" ] }, { "compound_id": "C09660", "inchi": "InChI=1S/C15H20O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7-8,10,14H,4,6,9H2,1-3H3/t14-,15+/m0/s1", "name": "Dehydrongaione", "names": [ "Dehydrongaione" ] }, { "compound_id": "C09661", "inchi": "InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m0/s1", "name": "Thalsimine", "names": [ "Thalsimine" ] }, { "compound_id": "C09662", "inchi": "InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19+/m1/s1", "name": "Diacetoxyscirpenol", "names": [ "Diacetoxyscirpenol" ] }, { "compound_id": "C09663", "inchi": "InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1", "name": "alpha-Eudesmol", "names": [ "alpha-Eudesmol" ] }, { "compound_id": "C09664", "inchi": "InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1", "name": "beta-Eudesmol", "names": [ "beta-Eudesmol" ] }, { "compound_id": "C09665", "inchi": "InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+", "name": "alpha-Farnesene", "names": [ "(3E,6E)-alpha-Farnesene", "alpha-Farnesene" ] }, { "compound_id": "C09666", "inchi": "InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+", "name": "beta-Farnesene", "names": [ "(E)-beta-Farnesene", "beta-Farnesene" ] }, { "compound_id": "C09667", "inchi": "InChI=1S/C36H36N2O5/c1-37-11-9-22-17-31-32-19-24(22)27(37)15-20-5-7-29(39)25(13-20)26-14-21(6-8-30(26)40-3)16-28-34-23(10-12-38(28)2)18-33(41-4)35(42-31)36(34)43-32/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3/t27-,28-/m0/s1", "name": "Tiliacorine", "names": [ "Tiliacorine" ] }, { "compound_id": "C09668", "inchi": "InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1", "name": "Fumagillin", "names": [ "Fumagillin" ] }, { "compound_id": "C09669", "inchi": "InChI=1S/C35H34N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,36H,10-15H2,1-3H3/t26-,27-/m0/s1", "name": "Trilobine", "names": [ "Trilobine" ] }, { "compound_id": "C09670", "inchi": "InChI=1S/C18H17NO3/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15/h2-3,6,8,14,19H,4-5,7,9H2,1H3/t14-/m1/s1", "name": "Xylopine", "names": [ "Xylopine" ] }, { "compound_id": "C09671", "inchi": "InChI=1S/C21H25NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h8-11,17H,5-7,12H2,1-4H3/t17-/m0/s1", "name": "Xylopinine", "names": [ "Norcoralydine", "Xylopinine" ] }, { "compound_id": "C09672", "inchi": "InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+", "name": "Germacrene B", "names": [ "(E,E)-germacrene B", "1,5-Cyclodecadiene, 1,5-dimethyl-8-(1-methylethylidene)-, (E,E)-", "Germacrene B" ] }, { "compound_id": "C09673", "inchi": "InChI=1S/C14H20O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h7,9-10,12,14,16H,1,4-6H2,2-3H3/t9-,10+,12-,14+/m0/s1", "name": "Glutinosone", "names": [ "Glutinosone" ] }, { "compound_id": "C09674", "inchi": "InChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1", "name": "Graphinone", "names": [ "Graphinone", "Ovalicin" ] }, { "compound_id": "C09675", "inchi": "InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3", "name": "Guaiazulene", "names": [ "1,4-Dimethyl-7-isopropylazulene", "Guaiazulene" ] }, { "compound_id": "C09676", "inchi": "InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1", "name": "Guaiol", "names": [ "Guaiol" ] }, { "compound_id": "C09677", "inchi": "InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)10(3)12(7-16)14(11)13(15)8-17/h7-9,11,13-14H,5-6H2,1-4H3", "name": "Helminthosporal", "names": [ "Helminthosporal" ] }, { "compound_id": "C09678", "inchi": "InChI=1S/C15H24O2/c1-9(2)11-5-6-15(4)10(3)12(7-16)14(11)13(15)8-17/h7,9,11,13-14,17H,5-6,8H2,1-4H3", "name": "Helminthosporol", "names": [ "Helminthosporol" ] }, { "compound_id": "C09679", "inchi": "InChI=1S/C39H64O22/c1-14-6-17(55-36-30(53)26(49)34(61-36)22(12-43)57-38-29(52)24(47)32(59-38)20(45)10-41)8-39(3)5-4-16(7-18(14)39)15(2)13-54-35-27(50)25(48)33(60-35)21(11-42)56-37-28(51)23(46)31(58-37)19(44)9-40/h16-17,19-38,40-53H,2,4-13H2,1,3H3/t16?,17-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-/m1/s1", "name": "Helminthosporoside A", "names": [ "Helminthosporoside A" ] }, { "compound_id": "C09680", "inchi": "InChI=1S/C15H16O4/c1-7(2)12-9-4-8(3)5-11(17)13(9)10(6-16)14(18)15(12)19/h4-7,17-19H,1-3H3", "name": "Hemigossypol", "names": [ "Hemigossypol" ] }, { "compound_id": "C09681", "inchi": "InChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3/t13-,15+/m1/s1", "name": "Hernandulcin", "names": [ "Hernandulcin" ] }, { "compound_id": "C09682", "inchi": "InChI=1S/C15H26O/c1-11-6-7-12-13(10-11)14(2,3)8-5-9-15(12,4)16/h10,12-13,16H,5-9H2,1-4H3/t12-,13+,15-/m1/s1", "name": "Himachalol", "names": [ "Himachalol" ] }, { "compound_id": "C09683", "inchi": "InChI=1S/C15H20O4/c1-7-10(16)11-15(19-11)5-8-4-13(2,12(17)18)6-9(8)14(7,15)3/h8-11,16H,1,4-6H2,2-3H3,(H,17,18)/t8-,9-,10-,11-,13+,14+,15-/m1/s1", "name": "Hirsutic acid C", "names": [ "Hirsutic acid C" ] }, { "compound_id": "C09684", "inchi": "InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+", "name": "Humulene", "names": [ "Humulene" ] }, { "compound_id": "C09685", "inchi": "InChI=1S/C19H28O4/c1-11(2)17(20)23-16-15-12(3)10-22-14(15)9-19(21)8-6-7-13(4)18(16,19)5/h10-11,13,16,21H,6-9H2,1-5H3/t13-,16+,18-,19-/m0/s1", "name": "10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane", "names": [ "10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane" ] }, { "compound_id": "C09686", "inchi": "InChI=1S/C15H22O2/c1-8(2)11-6-5-9(3)12-7-13(16)10(4)14(12)15(11)17/h9,11-12,15,17H,1,5-7H2,2-4H3/t9-,11-,12+,15+/m0/s1", "name": "Hydroxyisopatchoulenone", "names": [ "Hydroxyisopatchoulenone" ] }, { "compound_id": "C09687", "inchi": "InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3/t12-,14+/m1/s1", "name": "Illudin M", "names": [ "Illudin M" ] }, { "compound_id": "C09688", "inchi": "InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1", "name": "Illudin S", "names": [ "Illudin S" ] }, { "compound_id": "C09689", "inchi": "InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3/t14-,15+/m1/s1", "name": "Ipomeamarone", "names": [ "(+)-Ngaione", "Ipomeamarone" ] }, { "compound_id": "C09690", "inchi": "InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13+/m1/s1", "name": "alpha-Irone", "names": [ "alpha-Irone" ] }, { "compound_id": "C09691", "inchi": "InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1", "name": "Isocaryophyllene", "names": [ "Isocaryophyllene" ] }, { "compound_id": "C09692", "inchi": "InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1", "name": "Isovelleral", "names": [ "Isovelleral" ] }, { "compound_id": "C09693", "inchi": "InChI=1S/C16H26O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13H,5-6,8-10H2,1-4H3/t12-,13+/m1/s1", "name": "Juvabione", "names": [ "Juvabione" ] }, { "compound_id": "C09694", "inchi": "InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m1/s1", "name": "Juvenile hormone III", "names": [ "Juvenile hormone III" ] }, { "compound_id": "C09695", "inchi": "InChI=1S/C16H20O3/c1-9(2)11-7-15(17)16(4,18)13-8-14(19-5)10(3)6-12(11)13/h6-9,18H,1-5H3/t16-/m1/s1", "name": "Lacinilene C 7-methyl ether", "names": [ "Lacinilene C 7-methyl ether" ] }, { "compound_id": "C09696", "inchi": "InChI=1S/C15H14O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-9H,1H2,2-3H3", "name": "Lactaroviolin", "names": [ "Lactaroviolin" ] }, { "compound_id": "C09697", "inchi": "InChI=1S/C25H38O7/c1-9-15(5)21(27)31-17-13-24(8,29)19(26)20(32-22(28)16(6)10-2)23(7)11-12-25(30,14(3)4)18(17)23/h9-10,14,17-18,20,29-30H,11-13H2,1-8H3/b15-9-,16-10-/t17-,18+,20+,23-,24+,25+/m0/s1", "name": "Laserpitin", "names": [ "Laserpitin" ] }, { "compound_id": "C09698", "inchi": "InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m1/s1", "name": "Ledol", "names": [ "Ledol" ] }, { "compound_id": "C09699", "inchi": "InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3", "name": "Longifolene", "names": [ "Longifolene" ] }, { "compound_id": "C09700", "inchi": "InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1", "name": "Lubimin", "names": [ "Lubimin" ] }, { "compound_id": "C09701", "inchi": "InChI=1S/C15H18O4/c1-13(2)4-8-3-9(6-16)14-7-15(14,10(8)5-13)12(18)19-11(14)17/h3,6,8,10-11,17H,4-5,7H2,1-2H3/t8-,10+,11?,14+,15-/m1/s1", "name": "Marasmic acid", "names": [ "Marasmic acid" ] }, { "compound_id": "C09702", "inchi": "InChI=1S/C15H22O4/c1-13(2)5-4-6-14(3)12(13)11(18)7-10(8-16)15(14,19)9-17/h7-9,11-12,18-19H,4-6H2,1-3H3/t11-,12-,14-,15+/m0/s1", "name": "Mukaadial", "names": [ "Mukaadial" ] }, { "compound_id": "C09704", "inchi": "InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1", "name": "Nerolidol", "names": [ "(3S,6E)-Nerolidol", "Nerolidol" ] }, { "compound_id": "C09705", "inchi": "InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11?,12?,14-,15?/m0/s1", "name": "Patchouli alcohol", "names": [ "Patchouli alcohol" ] }, { "compound_id": "C09706", "inchi": "InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7-/t14-,16-,18+,20+/m0/s1", "name": "Petasin", "names": [ "Petasin" ] }, { "compound_id": "C09707", "inchi": "InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t13-,14-,15+/m1/s1", "name": "Phaseic acid", "names": [ "Phaseic acid" ] }, { "compound_id": "C09708", "inchi": "InChI=1S/C15H20O4/c1-8(7-16)15-12(18)6-10-4-5-11(17)9(2)14(10,3)13(15)19-15/h6,9,11,13,16-17H,1,4-5,7H2,2-3H3/t9-,11+,13+,14+,15-/m0/s1", "name": "Phomenone", "names": [ "Phomenone" ] }, { "compound_id": "C09709", "inchi": "InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1", "name": "Phytuberin", "names": [ "Phytuberin" ] }, { "compound_id": "C09710", "inchi": "InChI=1S/C15H20O2/c1-9-7-13(16)15(4)10(2)11-5-6-17-12(11)8-14(9,15)3/h5-6,9-10H,7-8H2,1-4H3/t9-,10-,14+,15-/m1/s1", "name": "Pinguisone", "names": [ "Pinguisone" ] }, { "compound_id": "C09711", "inchi": "InChI=1S/C15H22O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7-9,11-14,18H,5-6H2,1-3H3/t9-,11+,12+,13-,14-/m0/s1", "name": "Piperdial", "names": [ "Piperdial" ] }, { "compound_id": "C09712", "inchi": "InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1", "name": "Polygodial", "names": [ "Polygodial" ] }, { "compound_id": "C09714", "inchi": "InChI=1S/C21H28O6/c1-15(2)8-7-9-16(3)10-11-21(27-19(6)24)20(14-26-18(5)23)12-13-25-17(4)22/h7-10,12-14,21H,11H2,1-6H3/b9-7+,13-12+,16-10+,20-14-", "name": "Rhipocephalin", "names": [ "Rhipocephalin" ] }, { "compound_id": "C09715", "inchi": "InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1", "name": "Rishitin", "names": [ "Rishitin" ] }, { "compound_id": "C09716", "inchi": "InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1", "name": "Roridin A", "names": [ "Roridin A" ] }, { "compound_id": "C09717", "inchi": "InChI=1S/C15H22O4/c1-9(2)11-4-5-14(3)7-12-10(8-16)6-13(17)15(11,14)19-18-12/h6,8-9,11-13,17H,4-5,7H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1", "name": "Rugosal A", "names": [ "Rugosal", "Rugosal A" ] }, { "compound_id": "C09718", "inchi": "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3", "name": "beta-Santalene", "names": [ "beta-Santalene" ] }, { "compound_id": "C09719", "inchi": "InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11?,12?,13?,14?,15-", "name": "alpha-Santalol", "names": [ "alpha-Santalol" ] }, { "compound_id": "C09720", "inchi": "InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-", "name": "beta-Santalol", "names": [ "beta-Santalol" ] }, { "compound_id": "C09721", "inchi": "InChI=1S/C15H22O2/c1-9(2)11-6-7-13(15(16)17)12-5-4-10(3)8-14(11)12/h7-9,11-12,14H,4-6H2,1-3H3,(H,16,17)/t11-,12+,14-/m1/s1", "name": "Sclerosporin", "names": [ "Sclerosporin" ] }, { "compound_id": "C09722", "inchi": "InChI=1S/C15H26O2/c1-9(2)13-11-6-7-15(5,17)10(3)14(11,4)8-12(13)16/h10-13,16-17H,1,6-8H2,2-5H3/t10-,11-,12+,13+,14+,15+/m1/s1", "name": "Seiricardine A", "names": [ "Seiricardine A" ] }, { "compound_id": "C09723", "inchi": "InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1", "name": "beta-Selinene", "names": [ "beta-Selinene" ] }, { "compound_id": "C09724", "inchi": "InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1", "name": "Lonchocarpol A", "names": [ "6,8-Diprenylnaringenin", "Lonchocarpol A", "Senegalensin" ] }, { "compound_id": "C09725", "inchi": "InChI=1S/C19H30O5/c1-11(2)16-15(22-13(4)20)10-12(3)8-7-9-19(6)18(24-19)17(16)23-14(5)21/h8,11,15-18H,7,9-10H2,1-6H3/b12-8+/t15-,16+,17+,18-,19-/m0/s1", "name": "Shiromodiol diacetate", "names": [ "Shiromodiol diacetate" ] }, { "compound_id": "C09726", "inchi": "InChI=1S/C32H24O5/c1-18-23(33)16-27-29-22(15-25(35-27)20-11-7-4-8-12-20)30-28(37-31(18)29)17-26(34-2)21-13-14-24(36-32(21)30)19-9-5-3-6-10-19/h3-12,15-17,24H,13-14H2,1-2H3/t24-/m0/s1", "name": "Dracorubin", "names": [ "Dracorubin" ] }, { "compound_id": "C09727", "inchi": "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1", "name": "(-)-Epicatechin", "names": [ "(-)-Epicatechin" ] }, { "compound_id": "C09728", "inchi": "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1", "name": "(+)-Epicatechin", "names": [ "(+)-Epicatechin", "ent-Epicatechin" ] }, { "compound_id": "C09729", "inchi": "InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+", "name": "alpha-Sinensal", "names": [ "alpha-Sinensal" ] }, { "compound_id": "C09730", "inchi": "InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+", "name": "beta-Sinensal", "names": [ "2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal", "beta-Sinensal" ] }, { "compound_id": "C09731", "inchi": "InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1", "name": "Epigallocatechin 3-gallate", "names": [ "Epigallocatechin 3-gallate" ] }, { "compound_id": "C09732", "inchi": "InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1", "name": "Eriocitrin", "names": [ "Eriocitrin", "Eriodictyol 7-O-rutinoside" ] }, { "compound_id": "C09733", "inchi": "InChI=1S/C15H24O2/c1-11(9-16)4-3-7-15(2)13-6-5-12(10-17)8-14(13)15/h4,8,13-14,16-17H,3,5-7,9-10H2,1-2H3/b11-4+/t13-,14+,15+/m0/s1", "name": "Sirenin", "names": [ "Sirenin" ] }, { "compound_id": "C09734", "inchi": "InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3/t13-/m0/s1", "name": "Farrerol", "names": [ "Farrerol" ] }, { "compound_id": "C09735", "inchi": "InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2/t13-,15+/m0/s1", "name": "Fisetinidol", "names": [ "3,7,3',4'-Tetrahydroxyflavan", "Fisetinidol" ] }, { "compound_id": "C09736", "inchi": "InChI=1S/C15H14O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,13-20H/t13-,14-,15+/m0/s1", "name": "Fisetinidol-4beta-ol", "names": [ "(-)-Mollisacacidin", "5-Deoxyleucocyanidin", "Fisetinidol-4beta-ol", "Fisetinin-3,4-diol" ] }, { "compound_id": "C09737", "inchi": "InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1", "name": "Solavetivone", "names": [ "Solavetivone" ] }, { "compound_id": "C09738", "inchi": "InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24+/m0/s1", "name": "T-2 Toxin", "names": [ "T-2 Toxin" ] }, { "compound_id": "C09739", "inchi": "InChI=1S/C15H22O2/c1-10-9-17-13-8-15(16)6-4-5-11(2)14(15,3)7-12(10)13/h9,11,16H,4-8H2,1-3H3/t11-,14+,15-/m0/s1", "name": "Tetradymol", "names": [ "Tetradymol" ] }, { "compound_id": "C09740", "inchi": "InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1", "name": "Thujopsene", "names": [ "Thujopsene" ] }, { "compound_id": "C09741", "inchi": "InChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16-,17-/m1/s1", "name": "Trichodermin", "names": [ "Trichodermin" ] }, { "compound_id": "C09742", "inchi": "InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19-/m1/s1", "name": "Trichothecin", "names": [ "Trichothecin" ] }, { "compound_id": "C09743", "inchi": "InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8-/t9-,12+,13-/m1/s1", "name": "Valerenic acid", "names": [ "Valerenic acid" ] }, { "compound_id": "C09744", "inchi": "InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1", "name": "alpha-Vetivone", "names": [ "alpha-Vetivone" ] }, { "compound_id": "C09745", "inchi": "InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m1/s1", "name": "beta-Vetivone", "names": [ "beta-Vetivone" ] }, { "compound_id": "C09746", "inchi": "InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1", "name": "Verrucarin A", "names": [ "Muconomycin A", "Verrucarin A" ] }, { "compound_id": "C09747", "inchi": "InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15-/m1/s1", "name": "Vomitoxin", "names": [ "Deoxynivalenol", "Vomitoxin" ] }, { "compound_id": "C09748", "inchi": "InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)12(13)6-5-11(9-16)15(14,18)10-17/h5,9-10,12,18H,4,6-8H2,1-3H3/t12-,14-,15+/m0/s1", "name": "Warburganal", "names": [ "Warburganal" ] }, { "compound_id": "C09749", "inchi": "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12?,13?,14?,15-/m0/s1", "name": "alpha-Ylangene", "names": [ "alpha-Ylangene" ] }, { "compound_id": "C09750", "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15+/m0/s1", "name": "Zingiberene", "names": [ "Zingiberene", "alpha-Zingiberene" ] }, { "compound_id": "C09751", "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15+/m0/s1", "name": "Garbanzol", "names": [ "3,7,4'-Trihydroxyflavanone", "Garbanzol" ] }, { "compound_id": "C09752", "inchi": "InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1", "name": "Glabranin", "names": [ "Glabranin" ] }, { "compound_id": "C09753", "inchi": "InChI=1S/C20H20O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,18-19,21-22,24H,9H2,1-2H3/t18-,19+/m0/s1", "name": "Glepidotin B", "names": [ "Glepidotin B" ] }, { "compound_id": "C09754", "inchi": "InChI=1S/C21H24O9/c1-10-18(26)19(27)20(28)21(29-10)30-16-9-13(23)8-15(25)17(16)14(24)7-4-11-2-5-12(22)6-3-11/h2-3,5-6,8-10,18-23,25-28H,4,7H2,1H3/t10-,18-,19+,20+,21-/m0/s1", "name": "Glycyphyllin", "names": [ "Glycyphyllin", "Phloretin 2'-O-rhamnoside" ] }, { "compound_id": "C09755", "inchi": "InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1", "name": "Hesperidin", "names": [ "Ciratin", "Hesperetin 7-O-rutinoside", "Hesperidin" ] }, { "compound_id": "C09756", "inchi": "InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1", "name": "Homoeriodictyol", "names": [ "Eriodictyol 3'-methyl ether", "Homoeriodictyol" ] }, { "compound_id": "C09757", "inchi": "InChI=1S/C15H14O2/c16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11/h1-6,8,10,14,16H,7,9H2/t14-/m0/s1", "name": "7-Hydroxyflavan", "names": [ "7-Hydroxyflavan" ] }, { "compound_id": "C09758", "inchi": "InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H/t25-,26+,29+,30-", "name": "Isochamaejasmin", "names": [ "3,3''-Binaringenin", "Isochamaejasmin" ] }, { "compound_id": "C09759", "inchi": "InChI=1S/C23H22O5/c1-28-23-17(13-16-9-5-6-10-18(16)24)20(26)14-21(27)22(23)19(25)12-11-15-7-3-2-4-8-15/h2-10,14,24,26-27H,11-13H2,1H3", "name": "Isouvaretin", "names": [ "1-(4,6-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone", "Isouvaretin" ] }, { "compound_id": "C09760", "inchi": "InChI=1S/C25H30O4/c1-15(2)5-7-18-13-21(20(11-6-16(3)4)25(28)24(18)27)22-12-9-17-8-10-19(26)14-23(17)29-22/h5-6,8,10,13-14,22,26-28H,7,9,11-12H2,1-4H3/t22-/m0/s1", "name": "Kazinol A", "names": [ "Kazinol A" ] }, { "compound_id": "C09761", "inchi": "InChI=1S/C31H24O12/c1-41-20-7-4-13(8-16(20)34)30-28(40)27(39)24-19(37)11-18(36)23(31(24)43-30)25-26(38)22-17(35)9-15(33)10-21(22)42-29(25)12-2-5-14(32)6-3-12/h2-11,25,28-30,32-37,40H,1H3/t25-,28-,29+,30+/m0/s1", "name": "Kolaflavanone", "names": [ "Kolaflavanone" ] }, { "compound_id": "C09762", "inchi": "InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1", "name": "Liquiritigenin", "names": [ "7,4'-Dihydroxyflavanone", "Liquiritigenin" ] }, { "compound_id": "C09763", "inchi": "InChI=1S/C30H22O13/c31-12-7-17(36)21-20(8-12)42-28(10-1-3-13(32)15(34)5-10)24(25(21)39)22-18(37)9-19(38)23-26(40)27(41)29(43-30(22)23)11-2-4-14(33)16(35)6-11/h1-9,24,27-29,31-38,41H/t24-,27-,28+,29+/m0/s1", "name": "Manniflavanone", "names": [ "Manniflavanone" ] }, { "compound_id": "C09764", "inchi": "InChI=1S/C18H16O8/c1-8(19)25-18-15(23)13-12(7-11(21)17(24-2)14(13)22)26-16(18)9-3-5-10(20)6-4-9/h3-7,16,18,20-22H,1-2H3/t16-,18+/m1/s1", "name": "6-Methoxyaromadendrin 3-O-acetate", "names": [ "6-Methoxyaromadendrin 3-O-acetate" ] }, { "compound_id": "C09765", "inchi": "InChI=1/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1", "name": "Agnuside", "names": [ "Agnuside" ] }, { "compound_id": "C09766", "inchi": "InChI=1S/C15H16O7/c1-3-6-10-15(22-11(6)16)5-4-7-8(12(17)19-2)13(18)21-14(20-10)9(7)15/h3-5,7-10,13-14,18H,1-2H3/b6-3+/t7-,8-,9-,10+,13+,14+,15+/m1/s1", "name": "Allamandin", "names": [ "Allamandin" ] }, { "compound_id": "C09767", "inchi": "InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1", "name": "Amarogentin", "names": [ "Amarogentin" ] }, { "compound_id": "C09768", "inchi": "InChI=1S/C15H22O10/c1-14-9-13(22-3-2-15(9,21)10(20)11(14)25-14)24-12-8(19)7(18)6(17)5(4-16)23-12/h2-3,5-13,16-21H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11+,12+,13+,14-,15+/m1/s1", "name": "Antirrhinoside", "names": [ "Antirrhinoside" ] }, { "compound_id": "C09769", "inchi": "InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1", "name": "Asperuloside", "names": [ "Asperuloside" ] }, { "compound_id": "C09770", "inchi": "InChI=1S/C16H14O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,14-15,17-19,21-22H,1H3/t14-,15+/m0/s1", "name": "6-Methoxytaxifolin", "names": [ "6-Methoxytaxifolin" ] }, { "compound_id": "C09771", "inchi": "InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1", "name": "Aucubin", "names": [ "Aucubin" ] }, { "compound_id": "C09772", "inchi": "InChI=1S/C9H14O2/c1-6-2-3-7-4-9(10)11-5-8(6)7/h6-8H,2-5H2,1H3/t6-,7-,8-/m1/s1", "name": "Boschnialactone", "names": [ "Boschnialactone" ] }, { "compound_id": "C09773", "inchi": "InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m0/s1", "name": "Catalpol", "names": [ "Catalpol" ] }, { "compound_id": "C09774", "inchi": "InChI=1S/C18H20O5/c1-21-13-6-4-12(5-7-13)10-16(19)18(20)15-9-8-14(22-2)11-17(15)23-3/h4-9,11,16,19H,10H2,1-3H3", "name": "2'-O-Methylodoratol", "names": [ "2'-O-Methylodoratol", "Methylodoratol" ] }, { "compound_id": "C09775", "inchi": "InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20?,21+,22-/m1/s1", "name": "Catalposide", "names": [ "Catalposide" ] }, { "compound_id": "C09776", "inchi": "InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1", "name": "Didrovaltratum", "names": [ "Didrovaltrate", "Didrovaltratum" ] }, { "compound_id": "C09777", "inchi": "InChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3/t7-,9+,10+/m0/s1", "name": "Dolichodial", "names": [ "Dolichodial", "Iridial" ] }, { "compound_id": "C09778", "inchi": "InChI=1S/C14H12O4/c1-3-4-5-9-6-7-10-11(13(15)17-2)8-18-14(16)12(9)10/h3-8H,1-2H3/b4-3+,9-5+", "name": "Fulvoplumierin", "names": [ "Fulvoplumierin" ] }, { "compound_id": "C09779", "inchi": "InChI=1S/C17H24O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h2-3,5,7,9-13,15-16,18-22,24H,4,6H2,1H3/t7-,9+,10-,11+,12-,13+,15+,16-,17-/m0/s1", "name": "Gardenoside", "names": [ "Gardenoside" ] }, { "compound_id": "C09780", "inchi": "InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1", "name": "Genipin", "names": [ "Genipin" ] }, { "compound_id": "C09781", "inchi": "InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1", "name": "Geniposide", "names": [ "Geniposide" ] }, { "compound_id": "C09782", "inchi": "InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1", "name": "Gentiopicrin", "names": [ "Gentiopicrin", "Gentiopicroside" ] }, { "compound_id": "C09783", "inchi": "InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1", "name": "Harpagoside", "names": [ "Harpagoside" ] }, { "compound_id": "C09784", "inchi": "InChI=1S/C17H26O11/c1-16(23)3-4-17(24)7(13(22)25-2)6-26-15(12(16)17)28-14-11(21)10(20)9(19)8(5-18)27-14/h6,8-12,14-15,18-21,23-24H,3-5H2,1-2H3/t8-,9-,10+,11-,12-,14+,15+,16+,17+/m1/s1", "name": "Ipolamiide", "names": [ "Ipolamiide" ] }, { "compound_id": "C09785", "inchi": "InChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8-,9+,10+/m0/s1", "name": "(+)-Iridodial", "names": [ "(+)-Iridodial" ] }, { "compound_id": "C09786", "inchi": "InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m0/s1", "name": "Iridomyrmecin", "names": [ "Iridomyrmecin" ] }, { "compound_id": "C09787", "inchi": "InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3-/t8-,10-,11+,14-,15+/m1/s1", "name": "Isoplumericin", "names": [ "Isoplumericin" ] }, { "compound_id": "C09788", "inchi": "InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1", "name": "Monotropein", "names": [ "Monotropein" ] }, { "compound_id": "C09789", "inchi": "InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", "name": "Naringin", "names": [ "Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]", "Naringenin 7-O-neohesperidoside", "Naringin" ] }, { "compound_id": "C09790", "inchi": "InChI=1S/C10H18O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-11H,3-5H2,1-2H3/t6-,7+,8+,9+,10-/m0/s1", "name": "(+)-Neomatatabiol", "names": [ "(+)-Neomatatabiol" ] }, { "compound_id": "C09791", "inchi": "InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m0/s1", "name": "Nepetalactone cis-trans-form", "names": [ "Nepetalactone cis-trans-form" ] }, { "compound_id": "C09792", "inchi": "InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9-/m0/s1", "name": "Nepetalactone trans-cis-form", "names": [ "Nepetalactone trans-cis-form" ] }, { "compound_id": "C09793", "inchi": "InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1", "name": "Narirutin", "names": [ "Naringenin 7-O-rutinoside", "Narirutin" ] }, { "compound_id": "C09794", "inchi": "InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3-/t14-,18+,20+,21-,22+,24+,25-/m0/s1", "name": "Oleuropein", "names": [ "Oleuropein" ] }, { "compound_id": "C09795", "inchi": "InChI=1S/C18H22O11S/c1-30-18(24)26-4-6-2-8-11-7(15(23)27-8)5-25-16(10(6)11)29-17-14(22)13(21)12(20)9(3-19)28-17/h2,5,8-14,16-17,19-22H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1", "name": "Paederoside", "names": [ "Paederoside" ] }, { "compound_id": "C09796", "inchi": "InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3+/t8-,10-,11+,14-,15+/m1/s1", "name": "Plumericin", "names": [ "Plumericin" ] }, { "compound_id": "C09797", "inchi": "InChI=1S/C21H26O12/c1-8(23)10-5-21(33-18(10)28)4-3-9-11(17(27)29-2)7-30-19(13(9)21)32-20-16(26)15(25)14(24)12(6-22)31-20/h3-5,7-9,12-16,19-20,22-26H,6H2,1-2H3/t8-,9+,12+,13+,14+,15-,16+,19-,20-,21+/m0/s1", "name": "Plumieride", "names": [ "Plumieride" ] }, { "compound_id": "C09798", "inchi": "InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9-,10-,11+,12-,13+,14-,16+,17+/m1/s1", "name": "Scandoside methyl ester", "names": [ "Scandoside methyl ester" ] }, { "compound_id": "C09799", "inchi": "InChI=1S/C20H26O8/c1-3-24-14-9-13-15(19(26-14)25-4-2)20(10-21)17(28-20)16(13)27-18(23)11-5-7-12(22)8-6-11/h5-8,13-17,19,21-22H,3-4,9-10H2,1-2H3/t13-,14+,15-,16+,17+,19+,20-/m1/s1", "name": "Specionin", "names": [ "Specionin" ] }, { "compound_id": "C09800", "inchi": "InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1", "name": "Swertiamarin", "names": [ "Swertiamarin" ] }, { "compound_id": "C09801", "inchi": "InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1", "name": "Valtratum", "names": [ "Valtrate", "Valtratum" ] }, { "compound_id": "C09802", "inchi": "InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1", "name": "Verbenalin", "names": [ "Cornin (glycoside)", "Verbenalin" ] }, { "compound_id": "C09803", "inchi": "InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19-,20?,21?/m0/s1", "name": "Neoastilbin", "names": [ "(2S,3S)-Taxifolin 3-rhamnoside", "Neoastilbin" ] }, { "compound_id": "C09804", "inchi": "InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-11H,3-4H2,1-2H3/t6-,8+,9+,10+/m0/s1", "name": "(+)-Iridodial", "names": [ "(+)-Iridodial" ] }, { "compound_id": "C09805", "inchi": "InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", "name": "Neoeriocitrin", "names": [ "Eriodictyol 7-O-neohesperidoside", "Neoeriocitrin" ] }, { "compound_id": "C09806", "inchi": "InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26?,27?,28+/m0/s1", "name": "Neohesperidin", "names": [ "Hesperetin 7-O-neohesperidoside", "Neohesperidin" ] }, { "compound_id": "C09807", "inchi": "InChI=1S/C17H18O5/c1-21-12-5-3-11(4-6-12)9-16(19)17(20)14-8-7-13(22-2)10-15(14)18/h3-8,10,16,18-19H,9H2,1-2H3", "name": "Odoratol", "names": [ "Odoratol" ] }, { "compound_id": "C09808", "inchi": "InChI=1S/C26H30O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21-24,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,22+,23-,24-,26-/m1/s1", "name": "Phellamurin", "names": [ "8-Prenyldihydrokaempferol 7-glucoside", "Phellamurin" ] }, { "compound_id": "C09809", "inchi": "InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4-7,14-17,20-22,26,37-38H,3,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", "name": "Cyclohex-2,5-diene-1-carboxyl-CoA", "names": [ "Cyclohex-2,5-diene-1-carboxyl-CoA" ] }, { "compound_id": "C09810", "inchi": "InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-4,7,14-15,17,20-22,26,37-38H,5-6,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", "name": "Cyclohex-1,4-diene-1-carboxyl-CoA", "names": [ "Cyclohex-1,4-diene-1-carboxyl-CoA" ] }, { "compound_id": "C09811", "inchi": "InChI=1S/C28H44N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", "name": "Cyclohex-1-ene-1-carboxyl-CoA", "names": [ "Cyclohex-1-ene-1-carboxyl-CoA" ] }, { "compound_id": "C09812", "inchi": "InChI=1S/C28H46N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h13-17,20-22,26,36,38-39H,3-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,16?,17-,20-,21-,22?,26-/m1/s1", "name": "2-Hydroxycyclohexane-1-carboxyl-CoA", "names": [ "2-Hydroxycyclohexane-1-carboxyl-CoA" ] }, { "compound_id": "C09813", "inchi": "InChI=1S/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h13-15,17,20-22,26,38-39H,3-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,17-,20-,21-,22?,26-/m1/s1", "name": "2-Ketocyclohexane-1-carboxyl-CoA", "names": [ "2-Ketocyclohexane-1-carboxyl-CoA", "2-Oxocyclohexane-1-carbonyl-CoA" ] }, { "compound_id": "C09814", "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H", "name": "Benzonitrile", "names": [ "Benzonitrile", "Cyanobenzene", "Phenyl cyanide" ] }, { "compound_id": "C09815", "inchi": "InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)", "name": "Benzamide", "names": [ "Benzamide" ] }, { "compound_id": "C09816", "inchi": "InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1", "name": "Benzylsuccinate", "names": [ "(R)-2-Benzylsuccinate", "Benzylsuccinate" ] }, { "compound_id": "C09817", "inchi": "InChI=1S/C32H46N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,16-17,19-20,24-26,30,43-44H,8-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20-,24-,25-,26?,30-/m1/s1", "name": "Benzylsuccinyl-CoA", "names": [ "(R)-2-Benzylsuccinyl-CoA", "Benzylsuccinyl-CoA" ] }, { "compound_id": "C09818", "inchi": "InChI=1S/C32H44N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,12,16-17,20,24-26,30,43-44H,8-11,13-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b19-12+/t20-,24-,25-,26?,30-/m1/s1", "name": "E-Phenylitaconyl-CoA", "names": [ "(E)-2-Benzylidenesuccinyl-CoA", "E-Phenylitaconyl-CoA" ] }, { "compound_id": "C09819", "inchi": "InChI=1S/C32H46N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,23-26,30,43-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18-,19-,23+,24-,25-,26?,30-/m1/s1", "name": "(Hydroxymethylphenyl)succinyl-CoA", "names": [ "(Hydroxymethylphenyl)succinyl-CoA" ] }, { "compound_id": "C09820", "inchi": "InChI=1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,24-26,30,44-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18-,19-,24-,25-,26?,30-/m1/s1", "name": "Benzoylsuccinyl-CoA", "names": [ "2-Benzoylsuccinyl-CoA", "Benzoylsuccinyl-CoA" ] }, { "compound_id": "C09821", "inchi": "InChI=1S/C28H42N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,17,20-22,26,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", "name": "6-Ketoxycyclohex-1-ene-1-carboxyl-CoA", "names": [ "6-Ketoxycyclohex-1-ene-1-carboxyl-CoA" ] }, { "compound_id": "C09822", "inchi": "InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)", "name": "Cyclohexane-1-carboxylate", "names": [ "Cyclohexane-1-carboxylate", "Cyclohexanecarboxylic acid", "Hexahydrobenzoic acid" ] }, { "compound_id": "C09823", "inchi": "InChI=1S/C28H46N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,3-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", "name": "Cyclohexane-1-carboxyl-CoA", "names": [ "Cyclohexane-1-carboxyl-CoA" ] }, { "compound_id": "C09824", "inchi": "InChI=1S/C28H46N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(38)30-8-9-58-27(42)18-14(36)4-3-5-15(18)37)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-19-23(29)32-12-33-24(19)35/h12-16,18,20-22,26,36-37,39-40H,3-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t14?,15?,16-,18?,20-,21-,22?,26-/m1/s1", "name": "2,6-Dihydroxycyclohexane-1-carboxyl-CoA", "names": [ "2,6-Dihydroxycyclohexane-1-carboxyl-CoA" ] }, { "compound_id": "C09825", "inchi": "InChI=1S/C28H44N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(38)30-8-9-58-27(42)18-14(36)4-3-5-15(18)37)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-19-23(29)32-12-33-24(19)35/h12-14,16,18,20-22,26,36,39-40H,3-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t14?,16-,18?,20-,21-,22?,26-/m1/s1", "name": "6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA", "names": [ "6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA" ] }, { "compound_id": "C09826", "inchi": "InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15+/m0/s1", "name": "Pinobanksin", "names": [ "3,5,7-Trihydroxyflavanone", "Pinobanksin" ] }, { "compound_id": "C09827", "inchi": "InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1", "name": "Pinocembrin", "names": [ "(2s)-4',7-dihydroxyflavanone", "5,7-Dihydroxyflavanone", "Pinocembrin" ] }, { "compound_id": "C09828", "inchi": "InChI=1S/C27H32O13/c1-11-20(31)22(33)24(35)26(36-11)40-25-23(34)21(32)18(10-28)39-27(25)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-29,31-35H,9-10H2,1H3/t11-,16-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", "name": "Pinocembrin 7-rhamnosylglucoside", "names": [ "Pinocembrin 7-rhamnosylglucoside" ] }, { "compound_id": "C09829", "inchi": "InChI=1S/C29H30O8/c1-29(2,34)27-23(18-14-17(28(33)36-4)11-13-19(18)30)25-22(35-3)15-21(32)24(26(25)37-27)20(31)12-10-16-8-6-5-7-9-16/h5-9,11,13-15,23,27,30,32,34H,10,12H2,1-4H3/t23-,27-/m0/s1", "name": "Piperaduncin B", "names": [ "Piperaduncin B" ] }, { "compound_id": "C09830", "inchi": "InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26?,27?,28+/m0/s1", "name": "Poncirin", "names": [ "Isosakuranetin 7-O-neohesperidoside", "Poncirin" ] }, { "compound_id": "C09831", "inchi": "InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-19(26-3)21(12)25)17-10-16(24)20-15(23)8-14(22)9-18(20)27-17/h4,6-9,17,22-23,25H,5,10H2,1-3H3/t17-/m0/s1", "name": "5'-Prenylhomoeriodictyol", "names": [ "5'-Prenylhomoeriodictyol", "Sigmoidin B 3'-methyl ether" ] }, { "compound_id": "C09832", "inchi": "InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1", "name": "6-Prenylnaringenin", "names": [ "5,7,4'-Trihydroxy-6-prenylflavanone", "6-Prenylnaringenin" ] }, { "compound_id": "C09833", "inchi": "InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1", "name": "Sakuranetin", "names": [ "Naringenin 7-methyl ether", "Sakuranetin" ] }, { "compound_id": "C09834", "inchi": "InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39?,40?/m1/s1", "name": "Sanggenon C", "names": [ "Sanggenon C" ] }, { "compound_id": "C09835", "inchi": "InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26-,33-,39?,40?/m1/s1", "name": "Sanggenon D", "names": [ "Sanggenon D" ] }, { "compound_id": "C09836", "inchi": "InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3", "name": "Ascaridole", "names": [ "Ascaridole" ] }, { "compound_id": "C09837", "inchi": "InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m1/s1", "name": "(1S,2R,4S)-(-)-Bornyl acetate", "names": [ "(1S,2R,4S)-(-)-Bornyl acetate" ] }, { "compound_id": "C09839", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1", "name": "Car-3-ene", "names": [ "(-)-3-Carene", "Car-3-ene" ] }, { "compound_id": "C09840", "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3", "name": "Carvacrol", "names": [ "Carvacrol" ] }, { "compound_id": "C09841", "inchi": "InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9+,10-/m0/s1", "name": "Carvone oxide", "names": [ "Carvone oxide" ] }, { "compound_id": "C09842", "inchi": "InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1", "name": "Chrysanthemic acid", "names": [ "Chrysanthemic acid" ] }, { "compound_id": "C09843", "inchi": "InChI=1S/C10H14O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-8H,5H2,1-3H3", "name": "Chrysanthenone", "names": [ "Chrysanthenone" ] }, { "compound_id": "C09844", "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3", "name": "1,8-Cineole", "names": [ "1,8-Cineol", "1,8-Cineole" ] }, { "compound_id": "C09845", "inchi": "InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1", "name": "Cinerin I", "names": [ "Cinerin I" ] }, { "compound_id": "C09846", "inchi": "InChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1", "name": "Cinerin II", "names": [ "Cinerin II" ] }, { "compound_id": "C09847", "inchi": "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-", "name": "cis-Citral", "names": [ "Neral", "cis-Citral" ] }, { "compound_id": "C09848", "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1", "name": "(R)-(+)-Citronellal", "names": [ "(R)-(+)-Citronellal" ] }, { "compound_id": "C09849", "inchi": "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1", "name": "beta-Citronellol", "names": [ "(R)-(+)-Citronellol", "beta-Citronellol" ] }, { "compound_id": "C09850", "inchi": "InChI=1S/C16H23NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h4,10-11,13-14,18H,2-3,5-9H2,1H3/t10-,11+,13-,14-,16-/m1/s1", "name": "Acrifoline", "names": [ "Acrifoline" ] }, { "compound_id": "C09851", "inchi": "InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11+,12-,13-,14-,16-/m1/s1", "name": "Annofoline", "names": [ "(15R)-5beta-Hydroxy-15-methyllycopodan-8-one", "Annofoline" ] }, { "compound_id": "C09852", "inchi": "InChI=1S/C16H21NO3/c1-14-9-15-10-4-2-6-17(15)7-3-5-16(15,19)12(14)8-11(10)20-13(14)18/h3,5,10-12,19H,2,4,6-9H2,1H3/t10-,11-,12-,14-,15+,16+/m1/s1", "name": "Annotine", "names": [ "Annotine" ] }, { "compound_id": "C09853", "inchi": "InChI=1S/C10H14O4/c1-5-6-3-4-10(2,13)8(11)7(6)14-9(5)12/h7-8,11,13H,3-4H2,1-2H3/t7-,8+,10-/m1/s1", "name": "1,2-Dihydroxymint lactone", "names": [ "1,2-Dihydroxymint lactone" ] }, { "compound_id": "C09854", "inchi": "InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3", "name": "Diosphenol", "names": [ "Diosphenol" ] }, { "compound_id": "C09855", "inchi": "InChI=1S/C16H21NO3/c1-8-6-15-9-3-2-4-17(15)7-12-13(19-12)16(8,15)10-5-11(9)20-14(10)18/h8-13H,2-7H2,1H3/t8-,9-,10?,11-,12-,13?,15+,16+/m1/s1", "name": "Annotinine", "names": [ "Annotinine" ] }, { "compound_id": "C09856", "inchi": "InChI=1S/C16H24N2O2/c1-10-7-12-9-11-3-2-4-16(20)18(11)15-6-5-14(19)13(8-10)17(12)15/h8,11-15,19H,2-7,9H2,1H3/t11-,12+,13+,14+,15-/m0/s1", "name": "Carolinianine", "names": [ "Carolinianine" ] }, { "compound_id": "C09858", "inchi": "InChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1", "name": "Evodone", "names": [ "Evodone" ] }, { "compound_id": "C09859", "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3", "name": "Fenchone", "names": [ "(1R,4S)-(+)-Fenchone", "Fenchone" ] }, { "compound_id": "C09860", "inchi": "InChI=1S/C16H26N2O/c1-11-8-12-4-2-6-15-17(12)14(9-11)10-13-5-3-7-16(19)18(13)15/h11-15H,2-10H2,1H3/t11-,12-,13-,14+,15-/m0/s1", "name": "Cernuine", "names": [ "Cernuine" ] }, { "compound_id": "C09861", "inchi": "InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+", "name": "Geranyl acetate", "names": [ "Geranyl acetate" ] }, { "compound_id": "C09862", "inchi": "InChI=1S/C16H23NO/c1-11-8-12-10-14(18)13-4-2-6-17-7-3-5-16(12,13)15(17)9-11/h9,11-13H,2-8,10H2,1H3/t11-,12+,13-,16+/m1/s1", "name": "Fawcettidine", "names": [ "Fawcettidine" ] }, { "compound_id": "C09863", "inchi": "InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1", "name": "Linalyl acetate", "names": [ "Linalyl acetate" ] }, { "compound_id": "C09864", "inchi": "InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-15(12,13)16(17,19)10-11/h11-13,19H,2-10H2,1H3/t11?,12-,13+,15-,16-/m0/s1", "name": "Fawcettimine", "names": [ "Fawcettimine" ] }, { "compound_id": "C09865", "inchi": "InChI=1S/C18H28N2O/c1-12-9-14-10-17-16(6-4-8-20(17)13(2)21)18(11-12)15(14)5-3-7-19-18/h12,14-15,19H,3-11H2,1-2H3/t12-,14-,15+,18+/m0/s1", "name": "Flabellidine", "names": [ "Flabellidine" ] }, { "compound_id": "C09866", "inchi": "InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1", "name": "Huperzine B", "names": [ "Huperzine B" ] }, { "compound_id": "C09867", "inchi": "InChI=1S/C16H23NO2/c1-9-2-10-3-14(19)15-6-12(18)8-17-7-11(15)4-13(10)16(15,17)5-9/h9-13,18H,2-8H2,1H3/t9-,10-,11+,12+,13+,15+,16+/m0/s1", "name": "Inundatine", "names": [ "Inundatine" ] }, { "compound_id": "C09868", "inchi": "InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3", "name": "Menthofuran", "names": [ "Menthofuran" ] }, { "compound_id": "C09869", "inchi": "InChI=1S/C30H49N3O/c1-18-11-22-16-28-25(23-15-27(22)29(12-18)32(4)17-23)8-7-24(31-28)14-21-10-19(2)13-30-26(21)6-5-9-33(30)20(3)34/h18-19,21-27,29-30H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24+,25?,26+,27-,29+,30-/m1/s1", "name": "Lucidine B", "names": [ "Lucidine B", "Serratanine" ] }, { "compound_id": "C09870", "inchi": "InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1", "name": "(-)-Menthyl acetate", "names": [ "(-)-Menthyl acetate", "Menthyl acetate", "l-Menthyl acetate" ] }, { "compound_id": "C09871", "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-", "name": "Nerol", "names": [ "(Z)-3,7-Dimethylocta-2,6-dien-1-ol", "Nerol" ] }, { "compound_id": "C09872", "inchi": "InChI=1S/C13H21NO/c1-8-3-9-6-13(15)10-5-11(9)12(4-8)14(2)7-10/h8-12H,3-7H2,1-2H3/t8-,9+,10-,11-,12+/m1/s1", "name": "Luciduline", "names": [ "Luciduline" ] }, { "compound_id": "C09873", "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+", "name": "beta-Ocimene", "names": [ "beta-Ocimene" ] }, { "compound_id": "C09874", "inchi": "InChI=1S/C16H26N2O2/c1-10-7-12-9-11-3-2-4-16(20)18(11)15-6-5-14(19)13(8-10)17(12)15/h10-15,19H,2-9H2,1H3/t10-,11+,12-,13-,14-,15+/m1/s1", "name": "Lycocernuine", "names": [ "Lycocernuine" ] }, { "compound_id": "C09875", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1", "name": "(R)-(-)-alpha-Phellandrene", "names": [ "(R)-(-)-alpha-Phellandrene" ] }, { "compound_id": "C09876", "inchi": "InChI=1S/C16H22N2/c1-11-8-12-9-15-14(5-2-6-17-15)16(10-11)13(12)4-3-7-18-16/h2,5-6,11-13,18H,3-4,7-10H2,1H3/t11-,12-,13+,16+/m0/s1", "name": "Lycodine", "names": [ "Lycodine" ] }, { "compound_id": "C09877", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m0/s1", "name": "(+)-beta-Phellandrene", "names": [ "(+)-beta-Phellandrene" ] }, { "compound_id": "C09878", "inchi": "InChI=1S/C18H29NO4/c1-11-10-17-13-5-3-7-19(17)8-4-6-18(17,22)14(16(11)21)9-15(13)23-12(2)20/h11,13-16,21-22H,3-10H2,1-2H3/t11-,13+,14+,15+,16+,17-,18-/m0/s1", "name": "Lycofawcine", "names": [ "Lycofawcine" ] }, { "compound_id": "C09879", "inchi": "InChI=1S/C17H25NO2/c1-12-8-13-10-14(19)16-4-2-6-18(11-16)7-3-5-17(13,16)15(20)9-12/h12-13H,2-11H2,1H3/t12?,13-,16-,17+/m0/s1", "name": "Lycoflexine", "names": [ "Lycoflexine" ] }, { "compound_id": "C09880", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3", "name": "alpha-Pinene", "names": [ "alpha-Pinene" ] }, { "compound_id": "C09881", "inchi": "InChI=1S/C17H25NO3/c1-12(16(20)21-2)11-17-13-5-3-9-18(17)10-4-6-14(17)15(19)8-7-13/h3,5,7,12,14-15,19H,4,6,8-11H2,1-2H3/t12-,14-,15-,17-/m1/s1", "name": "Lyconnotine", "names": [ "Lyconnotine" ] }, { "compound_id": "C09882", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3", "name": "beta-Pinene", "names": [ "beta-Pinene" ] }, { "compound_id": "C09883", "inchi": "InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12-,13+,14+,16+/m0/s1", "name": "Lycopodine", "names": [ "Lycopodine" ] }, { "compound_id": "C09884", "inchi": "InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3", "name": "Pinocarvone", "names": [ "Pinocarvone" ] }, { "compound_id": "C09885", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1", "name": "(+)-Piperitone", "names": [ "(+)-Piperitone", "d-Piperitone" ] }, { "compound_id": "C09886", "inchi": "InChI=1S/C17H25NO2/c1-10-5-12-7-14(19)16-13-3-4-18(2)9-11(13)8-17(12,16)15(20)6-10/h6,11-14,16,19H,3-5,7-9H2,1-2H3/t11-,12+,13+,14+,16+,17-/m1/s1", "name": "Magellanine", "names": [ "Magellanine" ] }, { "compound_id": "C09887", "inchi": "InChI=1S/C10H14O2/c1-6(2)10-7(3)8(11)4-5-9(10)12/h4-5,8-12H,1,3H2,2H3/t8-,9+,10-/m0/s1", "name": "Piquerol A", "names": [ "Piquerol A" ] }, { "compound_id": "C09888", "inchi": "InChI=1S/C20H29NO3/c1-11-9-14-18-17(16(12(2)22)19(23)24-18)13-5-3-7-21-8-4-6-20(13,14)15(21)10-11/h10-14,16-18,22H,3-9H2,1-2H3/t11?,12-,13-,14+,16+,17+,18+,20-/m1/s1", "name": "Megastachine", "names": [ "Megastachine" ] }, { "compound_id": "C09889", "inchi": "InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12-,13+,17+/m0/s1", "name": "alpha-Obscurine", "names": [ "alpha-Obscurine" ] }, { "compound_id": "C09890", "inchi": "InChI=1S/C17H24N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20)/t11-,12-,13+,17+/m0/s1", "name": "beta-Obscurine", "names": [ "beta-Obscurine" ] }, { "compound_id": "C09891", "inchi": "InChI=1S/C30H49N3O2/c1-18-11-22-15-29-30(35,23-16-26(22)27(12-18)32(4)17-23)8-7-24(31-29)14-21-10-19(2)13-28-25(21)6-5-9-33(28)20(3)34/h18-19,21-28,35H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,30+/m1/s1", "name": "Oxolucidine B", "names": [ "Oxolucidine B", "Serratanine B" ] }, { "compound_id": "C09892", "inchi": "InChI=1S/C16H30N2/c1-12-9-13(11-14-5-2-3-7-17-14)15-6-4-8-18-16(15)10-12/h12-18H,2-11H2,1H3/t12-,13+,14+,15-,16-/m1/s1", "name": "Phlegmarine", "names": [ "Phlegmarine" ] }, { "compound_id": "C09893", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1", "name": "Pulegone", "names": [ "(+)-Pulegone", "Pulegone" ] }, { "compound_id": "C09894", "inchi": "InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1", "name": "Pyrethrin II", "names": [ "Pyrethrin II" ] }, { "compound_id": "C09895", "inchi": "InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12-,13-,17+/m0/s1", "name": "Sauroxine", "names": [ "Sauroxine" ] }, { "compound_id": "C09896", "inchi": "InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3/t9-,10+/m1/s1", "name": "Rotundifolone", "names": [ "Lippione", "Rotundifolone" ] }, { "compound_id": "C09897", "inchi": "InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-5,8,10H,6-7,16H2,1-2H3,(H,17,18)/b11-3-/t10-,15+/m0/s1", "name": "Selagine", "names": [ "Selagine" ] }, { "compound_id": "C09898", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3", "name": "alpha-Terpinene", "names": [ "alpha-Terpinene" ] }, { "compound_id": "C09899", "inchi": "InChI=1S/C16H25NO4/c1-14(21)9-12(19)15-4-2-6-17-7-3-5-16(15,17)11(18)8-10(15)13(14)20/h10,12-13,19-21H,2-9H2,1H3/t10-,12+,13-,14-,15-,16+/m1/s1", "name": "Serratanidine", "names": [ "Serratanidine" ] }, { "compound_id": "C09900", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3", "name": "gamma-Terpinene", "names": [ "gamma-Terpinene" ] }, { "compound_id": "C09901", "inchi": "InChI=1S/C16H25NO3/c1-14(20)9-11-8-12(18)16-5-3-7-17(16)6-2-4-15(11,16)13(19)10-14/h11,13,19-20H,2-10H2,1H3/t11-,13+,14+,15-,16+/m1/s1", "name": "Serratine", "names": [ "Serratine" ] }, { "compound_id": "C09902", "inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1", "name": "(R)-(+)-alpha-Terpineol", "names": [ "(R)-(+)-alpha-Terpineol" ] }, { "compound_id": "C09903", "inchi": "InChI=1S/C30H49N3O2/c1-18-10-21(25-6-5-9-33(20(3)34)28(25)13-18)14-24-7-8-29(35)30(31-24)16-22-11-19(2)12-27-26(22)15-23(30)17-32(27)4/h18-19,21-28,31H,5-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26+,27-,28-,30-/m0/s1", "name": "Spirolucidine", "names": [ "Spirolucidine" ] }, { "compound_id": "C09904", "inchi": "InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)", "name": "beta-Thujaplicin", "names": [ "4-Isopropyltropolone", "Hinokitiol", "beta-Thujaplicin" ] }, { "compound_id": "C09905", "inchi": "InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)", "name": "gamma-Thujaplicin", "names": [ "5-Isopropyltropolone", "gamma-Thujaplicin" ] }, { "compound_id": "C09906", "inchi": "InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8?,10?/m1/s1", "name": "Thujone", "names": [ "Thujone" ] }, { "compound_id": "C09907", "inchi": "InChI=1S/C10H12N2O2/c1-6-8-4-11-5-9(14-2)7(8)3-10(13)12-6/h4-6H,3H2,1-2H3,(H,12,13)", "name": "Acanthicifoline", "names": [ "Acanthicifoline" ] }, { "compound_id": "C09908", "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3", "name": "Thymol", "names": [ "Thymol" ] }, { "compound_id": "C09909", "inchi": "InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3", "name": "Thymyl acetate", "names": [ "Thymyl acetate" ] }, { "compound_id": "C09910", "inchi": "InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3/t7-/m0/s1", "name": "Actinidine", "names": [ "Actinidine" ] }, { "compound_id": "C09911", "inchi": "InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3", "name": "Umbellulone", "names": [ "(-)-Umbellulone", "Umbellulone" ] }, { "compound_id": "C09912", "inchi": "InChI=1S/C11H17N3O/c1-4-11(3)6-5-8-7(2)9(15)13-10(12)14(8)11/h4,7-8H,1,5-6H2,2-3H3,(H2,12,13,15)/t7-,8-,11?/m0/s1", "name": "Arenaine", "names": [ "Arenaine" ] }, { "compound_id": "C09913", "inchi": "InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3", "name": "Verbenone", "names": [ "Verbenone" ] }, { "compound_id": "C09914", "inchi": "InChI=1S/C16H23NO8/c1-2-7-8-3-4-17-14(22)9(8)6-23-15(7)25-16-13(21)12(20)11(19)10(5-18)24-16/h2,6-8,10-13,15-16,18-21H,1,3-5H2,(H,17,22)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1", "name": "Bakankoside", "names": [ "Bakankoside" ] }, { "compound_id": "C09915", "inchi": "InChI=1S/C10H11NO/c1-7-2-3-9-8(6-12)4-11-5-10(7)9/h4-7H,2-3H2,1H3/t7-/m1/s1", "name": "Boschniakine", "names": [ "(R)-6,7-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde", "Boschniakine" ] }, { "compound_id": "C09916", "inchi": "InChI=1S/C32H42O8/c1-15(2)10-12-20-27(35)23(18(7)33)30(38)25(28(20)36)22(14-17(5)6)26-29(37)21(13-11-16(3)4)32(40-9)24(19(8)34)31(26)39/h10-11,17,22,35-39H,12-14H2,1-9H3", "name": "Acrovestone", "names": [ "Acrovestone" ] }, { "compound_id": "C09917", "inchi": "InChI=1S/C16H20O2/c1-12-4-3-5-13(2)11-18-15-8-9-16(17)14(10-15)7-6-12/h5-6,8-10,17H,3-4,7,11H2,1-2H3/b12-6+,13-5+", "name": "Arnebinol", "names": [ "Arnebinol" ] }, { "compound_id": "C09918", "inchi": "InChI=1S/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3", "name": "Aucuparin", "names": [ "3,5-Dimethoxy-(1,1'-biphenyl)-4-ol", "Aucuparin" ] }, { "compound_id": "C09919", "inchi": "InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1", "name": "Bergenin", "names": [ "Bergenin" ] }, { "compound_id": "C09920", "inchi": "InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1", "name": "Brazilin", "names": [ "Brazilin" ] }, { "compound_id": "C09921", "inchi": "InChI=1S/C12H12O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-7,13H,2-3H2,1H3/b10-7-", "name": "3-Butylidene-7-hydroxyphthalide", "names": [ "3-Butylidene-7-hydroxyphthalide" ] }, { "compound_id": "C09922", "inchi": "InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1", "name": "Cleomiscosin A", "names": [ "Cleomiscosin A" ] }, { "compound_id": "C09923", "inchi": "InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3", "name": "Cyperine", "names": [ "Cyperine" ] }, { "compound_id": "C09924", "inchi": "InChI=1S/C20H18O8/c1-24-13-7-11(8-14(25-2)17(13)23)18-15(9-21)27-20-12(26-18)5-3-10-4-6-16(22)28-19(10)20/h3-8,15,18,21,23H,9H2,1-2H3/t15-,18-/m1/s1", "name": "Daphneticin", "names": [ "Daphneticin" ] }, { "compound_id": "C09925", "inchi": "InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+", "name": "5,6-Dehydrokawain", "names": [ "5,6-Dehydrokawain" ] }, { "compound_id": "C09926", "inchi": "InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3/t11-/m0/s1", "name": "Dihydromethysticin", "names": [ "Dihydromethysticin" ] }, { "compound_id": "C09927", "inchi": "InChI=1S/C23H30O5/c1-12(2)8-15-18-9-14(13(3)4)6-7-23(18,5)28-22-17(11-25)20(26)16(10-24)21(27)19(15)22/h6-7,10-15,18,26-27H,8-9H2,1-5H3/t14?,15-,18-,23-/m1/s1", "name": "Euglobal-Ia1", "names": [ "Euglobal-Ia1" ] }, { "compound_id": "C09928", "inchi": "InChI=1S/C13H16O3/c1-7-4-10-9(6-12(7)16-3)11(14)5-8(2)13(10)15/h4,6,8,11,14H,5H2,1-3H3/t8-,11+/m1/s1", "name": "Flossonol", "names": [ "Flossonol" ] }, { "compound_id": "C09929", "inchi": "InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-40,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m0/s1", "name": "Garcinol", "names": [ "Garcinol" ] }, { "compound_id": "C09930", "inchi": "InChI=1S/C13H12O4/c14-10-7-6-9-13(17-10)11(15)12(16-9)8-4-2-1-3-5-8/h1-7,9,11-13,15H/t9-,11+,12+,13+/m0/s1", "name": "Goniothalenol", "names": [ "Altholactone", "Goniothalenol" ] }, { "compound_id": "C09931", "inchi": "InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1", "name": "Haematoxylin", "names": [ "Haematoxylin" ] }, { "compound_id": "C09932", "inchi": "InChI=1S/C32H34O14/c1-42-17-9-14-10-18(24(36)22-15(13-5-3-2-4-6-13)7-8-16(21(14)22)23(17)35)43-31-29(41)27(39)30(20(12-34)45-31)46-32-28(40)26(38)25(37)19(11-33)44-32/h2-10,19-20,25-35,37-41H,11-12H2,1H3/t19-,20-,25-,26+,27-,28-,29-,30?,31-,32?/m1/s1", "name": "Haemocorin", "names": [ "Haemocorin" ] }, { "compound_id": "C09933", "inchi": "InChI=1S/C11H13NO3/c1-6-8-4-12-5-9(11(14)15-2)7(8)3-10(6)13/h4-6,10,13H,3H2,1-2H3/t6-,10+/m1/s1", "name": "Cantleyine", "names": [ "Cantleyine" ] }, { "compound_id": "C09934", "inchi": "InChI=1S/C44H51NO17/c1-9-28-17-18-31(51)60-34-22(2)44-37(61-40(52)29-14-11-10-12-15-29)32(42(8,62-44)20-55-41(53)30-16-13-19-45-33(28)30)35(56-24(4)47)38(58-26(6)49)43(44,21-54-23(3)46)39(59-27(7)50)36(34)57-25(5)48/h10-16,19,22,28,32,34-39H,9,17-18,20-21H2,1-8H3/t22-,28-,32-,34-,35-,36+,37+,38-,39+,42+,43-,44-/m1/s1", "name": "Cassinine", "names": [ "Cassinine" ] }, { "compound_id": "C09935", "inchi": "InChI=1S/C38H40N2O11/c1-22-17-29(47-23(2)41)31(48-24(3)42)37(21-46-33(43)26-13-9-15-39-19-26)32(50-34(44)25-11-7-6-8-12-25)30(28-18-38(22,37)51-36(28,4)5)49-35(45)27-14-10-16-40-20-27/h6-16,19-20,22,28-32H,17-18,21H2,1-5H3/t22-,28+,29+,30-,31+,32+,37+,38+/m1/s1", "name": "Catheduline E2", "names": [ "Catheduline E2" ] }, { "compound_id": "C09936", "inchi": "InChI=1S/C16H18O3/c1-8-6-14-15(10(3)16(17)19-14)12-5-9(2)13(18-4)7-11(8)12/h5,7-8,14H,6H2,1-4H3/t8-,14+/m1/s1", "name": "Heritonin", "names": [ "Heritonin" ] }, { "compound_id": "C09937", "inchi": "InChI=1S/C30H35NO10/c1-16-9-10-21(37-17(2)32)29(6)25(40-26(34)19-8-7-12-31-14-19)23(38-18(3)33)22-24(30(16,29)41-28(22,4)5)39-27(35)20-11-13-36-15-20/h7-8,11-16,21-25H,9-10H2,1-6H3/t16?,21-,22+,23+,24-,25-,29-,30+/m0/s1", "name": "Celapanine", "names": [ "Celapanine" ] }, { "compound_id": "C09938", "inchi": "InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m0/s1", "name": "(+)-8-Hydroxycalamenene", "names": [ "(+)-8-Hydroxycalamenene" ] }, { "compound_id": "C09939", "inchi": "InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1", "name": "Strobopinin", "names": [ "Strobopinin" ] }, { "compound_id": "C09940", "inchi": "InChI=1S/C22H38N6O4/c1-13-5-3-7-15(17-9-25-21(23)27-17)20(30)32-12-14(2)6-4-8-16(19(29)31-11-13)18-10-26-22(24)28-18/h13-18H,3-12H2,1-2H3,(H3,23,25,27)(H3,24,26,28)/t13-,14-,15-,16-,17+,18+/m1/s1", "name": "Chaksine", "names": [ "Chaksine" ] }, { "compound_id": "C09941", "inchi": "InChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)25(19-26-24(22(5)6)15-16-32(26,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24,26,35-36,38H,5,15-19H2,1-4,6-7H3/t24-,26-,32+/m1/s1", "name": "Hypercalin B", "names": [ "Hypercalin B" ] }, { "compound_id": "C09942", "inchi": "InChI=1S/C17H20O4/c1-9-5-11-6-12-7-13(19-3)8-14(20-4)16(12)17(18)15(11)10(2)21-9/h6-10,18H,5H2,1-4H3/t9-,10+/m0/s1", "name": "Karwinaphthol B", "names": [ "Karwinaphthol B" ] }, { "compound_id": "C09943", "inchi": "InChI=1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/t9-,10+,11+,12-,13-,14-,16+/m1/s1", "name": "Dendrobine", "names": [ "Dendrobine" ] }, { "compound_id": "C09944", "inchi": "InChI=1S/C32H32O7/c1-15-8-23-21(16(2)39-15)12-22-24(10-19(37-4)11-26(22)38-5)29(23)20-7-6-17-9-18-13-32(3,36)14-25(33)27(18)31(35)28(17)30(20)34/h6-7,9-12,15-16,34-36H,8,13-14H2,1-5H3", "name": "Karwinskione", "names": [ "Karwinskione" ] }, { "compound_id": "C09945", "inchi": "InChI=1S/C15H23NO/c1-11-3-5-14-12(2)4-6-15(16(14)9-11)13-7-8-17-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12+,14-,15-/m0/s1", "name": "Deoxynupharidine", "names": [ "Deoxynupharidine" ] }, { "compound_id": "C09946", "inchi": "InChI=1S/C10H13NO4/c1-2-7(6-12)10(14)3-4-15-9(13)8(10)5-11/h2,5-7,14H,1,3-4,11H2/b8-5-", "name": "Enicoflavine", "names": [ "3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde", "Enicoflavine" ] }, { "compound_id": "C09947", "inchi": "InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1", "name": "Kawain", "names": [ "Kawain" ] }, { "compound_id": "C09948", "inchi": "InChI=1S/C33H42O4/c1-22(2)12-11-13-25(7)19-21-33(20-18-24(5)6)31(36)27(17-16-23(3)4)30(35)28(32(33)37)29(34)26-14-9-8-10-15-26/h8-10,12,14-16,18-19,35-36H,11,13,17,20-21H2,1-7H3/b25-19+/t33-/m1/s1", "name": "Kolanone", "names": [ "Kolanone" ] }, { "compound_id": "C09949", "inchi": "InChI=1S/C14H21NO/c1-9-5-8-12(14(3,4)16)13-11(9)7-6-10(2)15-13/h6-7,9,12,16H,5,8H2,1-4H3/t9-,12+/m0/s1", "name": "Fabianine", "names": [ "Fabianine" ] }, { "compound_id": "C09950", "inchi": "InChI=1S/C16H16O2/c1-16(2)9-8-11-10-14(17-3)12-6-4-5-7-13(12)15(11)18-16/h4-10H,1-3H3", "name": "Lapachenole", "names": [ "Lapachenole" ] }, { "compound_id": "C09951", "inchi": "InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H", "name": "Maclurin", "names": [ "Maclurin" ] }, { "compound_id": "C09952", "inchi": "InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h2-6,8,11H,7,9H2,1H3/b4-2+/t11-/m0/s1", "name": "Methysticin", "names": [ "Methysticin" ] }, { "compound_id": "C09953", "inchi": "InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1", "name": "Monocerin", "names": [ "Monocerin" ] }, { "compound_id": "C09954", "inchi": "InChI=1S/C13H12O3/c1-7-6-9-4-3-5-10(15)12(9)13(16)11(7)8(2)14/h3-6,15-16H,1-2H3", "name": "Nepodin", "names": [ "1-(1,8-Dihydroxy-3-methylnaphthalen-2-yl)ethanone", "Musizin", "Nepodin" ] }, { "compound_id": "C09955", "inchi": "InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1", "name": "Ochratoxin A", "names": [ "Ochratoxin A" ] }, { "compound_id": "C09956", "inchi": "InChI=1S/C23H16O5/c24-10-5-6-12-14(7-10)23-20-13(11-3-1-2-4-18(11)28-23)8-15(25)21-17(27)9-16(26)19(12)22(20)21/h1-7,9,13,20,23-24,26-27H,8H2/t13-,20+,23+/m1/s1", "name": "Ohioensin-A", "names": [ "Ohioensin-A" ] }, { "compound_id": "C09957", "inchi": "InChI=1S/C8H7NO2/c10-8-7-5-9-3-1-6(7)2-4-11-8/h1,3,5H,2,4H2", "name": "Gentianadine", "names": [ "Gentianadine" ] }, { "compound_id": "C09958", "inchi": "InChI=1S/C12H12O5/c1-6(13)2-9-4-7-3-8(14)5-10(15)11(7)12(16)17-9/h3-6,13-15H,2H2,1H3/t6-/m0/s1", "name": "Orthosporin", "names": [ "Orthosporin" ] }, { "compound_id": "C09959", "inchi": "InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1", "name": "Paeoniflorin", "names": [ "Paeoniflorin" ] }, { "compound_id": "C09960", "inchi": "InChI=1S/C6H7NO3/c7-3-4-5(8)1-2-10-6(4)9/h3H,1-2,7H2/b4-3+", "name": "Gentianaine", "names": [ "Gentianaine" ] }, { "compound_id": "C09961", "inchi": "InChI=1S/C11H11NO3/c1-2-7-3-12-4-9-10(7)8(5-13)6-15-11(9)14/h2-4,8,13H,1,5-6H2", "name": "Gentianamine", "names": [ "Gentianamine" ] }, { "compound_id": "C09962", "inchi": "InChI=1S/C10H11NO3/c1-6-9(5-12)7-2-3-14-10(13)8(7)4-11-6/h4-6,11H,2-3H2,1H3", "name": "Gentioflavine", "names": [ "Gentioflavine" ] }, { "compound_id": "C09963", "inchi": "InChI=1S/C12H12O4/c1-6-7(2)16-12(14)11-9(6)4-8(15-3)5-10(11)13/h4-5,13H,1-3H3", "name": "Polygonolide", "names": [ "Polygonolide" ] }, { "compound_id": "C09964", "inchi": "InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)", "name": "Purpurogallin", "names": [ "Purpurogallin" ] }, { "compound_id": "C09965", "inchi": "InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9?,12-,13-,14+,15-,16?/m1/s1", "name": "Rhododendrin", "names": [ "Rhododendrin" ] }, { "compound_id": "C09966", "inchi": "InChI=1S/C23H30O5/c1-12(2)7-13-9-23(6-5-14-8-17(23)22(14,3)4)28-21-16(11-25)19(26)15(10-24)20(27)18(13)21/h10-14,17,26-27H,5-9H2,1-4H3/t13-,14-,17+,23+/m0/s1", "name": "Robustadial A", "names": [ "Robustadial A" ] }, { "compound_id": "C09967", "inchi": "InChI=1S/C17H14O8/c1-7(18)24-17-15(23)14-12(22)5-9(19)6-13(14)25-16(17)8-2-3-10(20)11(21)4-8/h2-6,16-17,19-22H,1H3/t16-,17+/m1/s1", "name": "Taxifolin 3-O-acetate", "names": [ "Taxifolin 3-O-acetate" ] }, { "compound_id": "C09968", "inchi": "InChI=1S/C25H30O9/c1-10(2)7-16(27)17-22(31)14(21(30)15(9-26)24(17)33)8-13-20(29)12(5)25(34-6)18(23(13)32)19(28)11(3)4/h9-11,29-33H,7-8H2,1-6H3", "name": "Robustaol A", "names": [ "Robustaol A" ] }, { "compound_id": "C09969", "inchi": "InChI=1S/C31H34O8/c1-16(2)12-13-39-22-15-21(32)19(27(35)23(22)26(34)18-10-8-7-9-11-18)14-20-28(36)24(25(33)17(3)4)30(38)31(5,6)29(20)37/h7-12,15,17,32,35,37-38H,13-14H2,1-6H3", "name": "Sarothralin", "names": [ "Sarothralin" ] }, { "compound_id": "C09970", "inchi": "InChI=1S/C22H26O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,17-18,23H,11-12H2,1-4H3/t17-,18+/m1/s1", "name": "Tephrowatsin A", "names": [ "Tephrowatsin A" ] }, { "compound_id": "C09971", "inchi": "InChI=1S/C26H22O6/c1-11-9-15-5-7-17(23(29)21(15)25(31)19(11)13(3)27)18-8-6-16-10-12(2)20(14(4)28)26(32)22(16)24(18)30/h5-10,29-32H,1-4H3", "name": "Stypandrol", "names": [ "Stypandrol" ] }, { "compound_id": "C09972", "inchi": "InChI=1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2/t31-,32-,41-,42-/m1/s1", "name": "Theasinensin A", "names": [ "Theasinensin A" ] }, { "compound_id": "C09973", "inchi": "InChI=1S/C27H28O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19,21-23,25,28,30-31,34H,6,12,14-15H2/t19-,21-,22+,23-,25-,27?/m1/s1", "name": "Tremulacin", "names": [ "Tremulacin" ] }, { "compound_id": "C09974", "inchi": "InChI=1S/C10H10O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-3,7-8,11-13H,4H2", "name": "2,4,8-Trihydroxy-1-tetralone", "names": [ "2,4,8-Trihydroxy-1-tetralone" ] }, { "compound_id": "C09975", "inchi": "InChI=1S/C16H14O5/c17-9-11-13(19)8-14(20)15(16(11)21)12(18)7-6-10-4-2-1-3-5-10/h1-5,8-9,19-21H,6-7H2", "name": "2',4',6'-Trihydroxy-3'-formyldihydrochalcone", "names": [ "2',4',6'-Trihydroxy-3'-formyldihydrochalcone" ] }, { "compound_id": "C09976", "inchi": "InChI=1S/C20H22O4/c1-9-5-6-20(4)13(11(9)3)8-14(21)15-16(20)18(23)19-12(17(15)22)7-10(2)24-19/h8,10,22-23H,5-7H2,1-4H3/t10-,20-/m0/s1", "name": "Uncinatone", "names": [ "Uncinatone" ] }, { "compound_id": "C09977", "inchi": "InChI=1S/C25H30O5/c1-15(2)6-5-7-16(3)8-9-30-19-11-17-10-18-13-25(4,29)14-21(27)23(18)24(28)22(17)20(26)12-19/h6,8,10-12,26,28-29H,5,7,9,13-14H2,1-4H3/b16-8+", "name": "Vismione D", "names": [ "Vismione D" ] }, { "compound_id": "C09978", "inchi": "InChI=1S/C23H22O5/c1-28-21-14-20(26)17(13-16-9-5-6-10-18(16)24)23(27)22(21)19(25)12-11-15-7-3-2-4-8-15/h2-10,14,24,26-27H,11-13H2,1H3", "name": "Uvaretin", "names": [ "Uvaretin" ] }, { "compound_id": "C09979", "inchi": "InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h12,14,16-17,19,27-28,39-40,42H,1,7,11,13,15,18,20-21H2,2-6,8-10H3/t27-,28+,37+,38-/m1/s1", "name": "Xanthochymol", "names": [ "Xanthochymol" ] }, { "compound_id": "C09980", "inchi": "InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+", "name": "Yangonin", "names": [ "4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one", "Yangonin" ] }, { "compound_id": "C09981", "inchi": "InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1", "name": "Zearalenone", "names": [ "Zearalenone" ] }, { "compound_id": "C09982", "inchi": "InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)12-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-12/h4-7,19,21-22H,1-3H3", "name": "Acerosin", "names": [ "Acerosin" ] }, { "compound_id": "C09983", "inchi": "InChI=1S/C15H18O5/c1-8(2)5-6-19-11-7-10-12(13(18-4)9(11)3)15(17)20-14(10)16/h5,7,15,17H,6H2,1-4H3", "name": "Zinnolide", "names": [ "Zinnolide" ] }, { "compound_id": "C09984", "inchi": "InChI=1S/C18H21NO/c1-13-3-8-17-14(2)11-19(12-18(13)17)10-9-15-4-6-16(20)7-5-15/h4-7,11-13H,3,8-10H2,1-2H3/p+1/t13-/m0/s1", "name": "N-(p-Hydroxyphenethyl)actinidine", "names": [ "N-(p-Hydroxyphenethyl)actinidine" ] }, { "compound_id": "C09985", "inchi": "InChI=1S/C11H12N2O3/c1-6-8-4-12-5-9(11(15)16-2)7(8)3-10(14)13-6/h4-6H,3H2,1-2H3,(H,13,14)/t6-/m0/s1", "name": "Jasminine", "names": [ "Jasminine" ] }, { "compound_id": "C09986", "inchi": "InChI=1S/C11H13NO3/c1-6-3-9(13)10-7(6)4-12-5-8(10)11(14)15-2/h4-6,9,13H,3H2,1-2H3/t6-,9-/m1/s1", "name": "Rhexifoline", "names": [ "Rhexifoline" ] }, { "compound_id": "C09987", "inchi": "InChI=1S/C11H21N/c1-8-4-5-10-9(2)6-12(3)7-11(8)10/h8-11H,4-7H2,1-3H3/t8-,9+,10+,11-/m0/s1", "name": "beta-Skytanthine", "names": [ "beta-Skytanthine" ] }, { "compound_id": "C09988", "inchi": "InChI=1S/C11H17NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h4,7-8,10H,5-6H2,1-3H3/t7-,8-,10-/m0/s1", "name": "Tecomine", "names": [ "Tecomanine", "Tecomine" ] }, { "compound_id": "C09989", "inchi": "InChI=1S/C11H21NO/c1-8-3-4-10-9(7-13)5-12(2)6-11(8)10/h8-11,13H,3-7H2,1-2H3", "name": "Tecostanine", "names": [ "Tecostanine" ] }, { "compound_id": "C09990", "inchi": "InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/t21-,22-,25+,26+,27+,28+,29+,30+/m1/s1", "name": "Thiobinupharidine", "names": [ "Thiobinupharidine" ] }, { "compound_id": "C09991", "inchi": "InChI=1S/C11H15NO/c1-8-3-4-10-9(7-13-2)5-12-6-11(8)10/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1", "name": "Valerianine", "names": [ "Valerianine" ] }, { "compound_id": "C09992", "inchi": "InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32+,33+,34-,35+,39?,40+,41+,42-,43+/m1/s1", "name": "Wilfordine", "names": [ "Wilfordine" ] }, { "compound_id": "C09993", "inchi": "InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19-,22-,23-,24-,25-/m0/s1", "name": "Adouetine X", "names": [ "Adouetine X" ] }, { "compound_id": "C09994", "inchi": "InChI=1S/C34H40N4O4/c1-5-23(2)29-33(40)35-21-20-24-16-18-27(19-17-24)42-31(26-14-10-7-11-15-26)30(34(41)36-29)37-32(39)28(38(3)4)22-25-12-8-6-9-13-25/h6-21,23,28-31H,5,22H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/b21-20-/t23-,28-,29-,30-,31+/m0/s1", "name": "Adouetine Y", "names": [ "Adouetine Y" ] }, { "compound_id": "C09995", "inchi": "InChI=1S/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)42(51)47-26-12-19-35(47)40(49)45-37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-41(37)50)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)/b25-24-/t34-,35-,36-,37-,38+/m0/s1", "name": "Adouetine Z", "names": [ "Adouetine Z" ] }, { "compound_id": "C09996", "inchi": "InChI=1S/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)/b15-14-/t25-,26-,27-,28-/m0/s1", "name": "Americine", "names": [ "Americine" ] }, { "compound_id": "C09997", "inchi": "InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16-/t21-,27-,28-,29-,30-/m0/s1", "name": "Amphibine A", "names": [ "Amphibine A" ] }, { "compound_id": "C09998", "inchi": "InChI=1S/C39H47N5O5/c1-5-26(2)34(42-37(46)32(43(3)4)25-29-14-10-7-11-15-29)39(48)44-23-21-33-35(44)38(47)41-31(24-28-12-8-6-9-13-28)36(45)40-22-20-27-16-18-30(49-33)19-17-27/h6-20,22,26,31-35H,5,21,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b22-20-/t26-,31-,32-,33-,34-,35-/m0/s1", "name": "Amphibine B", "names": [ "Amphibine B" ] }, { "compound_id": "C09999", "inchi": "InChI=1S/C34H38N4O5/c1-5-22(2)29(38(3)4)34(42)37-28-31(25-14-10-7-11-15-25)43-26-18-16-23(17-19-26)20-21-35-32(40)27(36-33(28)41)30(39)24-12-8-6-9-13-24/h6-22,27-29,31H,5H2,1-4H3,(H,35,40)(H,36,41)(H,37,42)/b21-20-/t22?,27-,28-,29-,31+/m0/s1", "name": "Aralionine A", "names": [ "Aralionine A" ] }, { "compound_id": "C10000", "inchi": "InChI=1S/C33H36N4O4/c1-36(2)28(22-24-10-5-3-6-11-24)32(39)35-29-30(25-12-7-4-8-13-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27-14-9-21-37(27)33(29)40/h3-8,10-13,15-20,27-30H,9,14,21-22H2,1-2H3,(H,34,38)(H,35,39)/b20-19-/t27-,28-,29-,30+/m0/s1", "name": "Canthiumine", "names": [ "Canthiumine" ] }, { "compound_id": "C10001", "inchi": "InChI=1S/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-/t23-,24-,25-,26-/m0/s1", "name": "Ceanothine B", "names": [ "Ceanothine B" ] }, { "compound_id": "C10002", "inchi": "InChI=1S/C34H40N4O4/c1-23(2)21-29(38(3)4)33(40)37-30-31(26-13-9-6-10-14-26)42-27-17-15-24(16-18-27)19-20-35-32(39)28(36-34(30)41)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29-,30-,31+/m0/s1", "name": "Crenatine A", "names": [ "Crenatine A" ] }, { "compound_id": "C10003", "inchi": "InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-/t19?,22-,23-,24-,25-/m0/s1", "name": "Frangulanine", "names": [ "Frangulanine" ] }, { "compound_id": "C10004", "inchi": "InChI=1S/C37H50N6O6/c1-9-22(4)31(43(7)8)35(47)41-30(21(2)3)34(46)42-32-36(48)40-28(18-24-19-38-27-13-11-10-12-26(24)27)33(45)39-20-29(44)23-14-16-25(17-15-23)49-37(32,5)6/h10-17,19,21-22,28,30-32,38H,9,18,20H2,1-8H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46)/t22-,28-,30-,31-,32+/m0/s1", "name": "Hymenocardine", "names": [ "Hymenocardine" ] }, { "compound_id": "C10005", "inchi": "InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25+,26+,27+,28-/m1/s1", "name": "Integerrenine", "names": [ "Integerrenine" ] }, { "compound_id": "C10006", "inchi": "InChI=1S/C33H38N4O4/c1-22(2)29(37(3)4)33(40)36-28-30(25-13-9-6-10-14-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27(35-32(28)39)21-24-11-7-5-8-12-24/h5-20,22,27-30H,21H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)/b20-19-/t27-,28-,29-,30+/m0/s1", "name": "Integerressine", "names": [ "Integerressine" ] }, { "compound_id": "C10007", "inchi": "InChI=1S/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/b19-18-/t29-,30-,31-,32+/m0/s1", "name": "Integerrine", "names": [ "Integerrine" ] }, { "compound_id": "C10008", "inchi": "InChI=1S/C39H49N5O7/c1-24(2)30(42-38(49)33(44(6)7)34(46)27-14-10-8-11-15-27)37(48)43-32(36(47)41-23-22-26-18-20-29(45)21-19-26)35(28-16-12-9-13-17-28)51-39(50)31(40-5)25(3)4/h8-23,25,31-35,40,45-46H,1-7H3,(H,41,47)(H,42,49)(H,43,48)/b23-22-/t31-,32+,33+,34?,35-/m0/s1", "name": "Lasiodine A", "names": [ "Lasiodine A" ] }, { "compound_id": "C10009", "inchi": "InChI=1S/C29H38N4O4/c1-6-19(2)26-29(36)31-23(17-20-10-8-7-9-11-20)27(34)30-15-14-21-12-13-25(37-5)22(16-21)18-24(33(3)4)28(35)32-26/h7-16,19,23-24,26H,6,17-18H2,1-5H3,(H,30,34)(H,31,36)(H,32,35)/b15-14-/t19-,23-,24-,26-/m0/s1", "name": "Mucronine A", "names": [ "Mucronine A" ] }, { "compound_id": "C10010", "inchi": "InChI=1S/C28H36N4O4/c1-5-18(2)25-28(35)31-23(16-19-9-7-6-8-10-19)26(33)30-14-13-20-11-12-24(36-4)21(15-20)17-22(29-3)27(34)32-25/h6-15,18,22-23,25,29H,5,16-17H2,1-4H3,(H,30,33)(H,31,35)(H,32,34)/b14-13-/t18-,22-,23-,25-/m0/s1", "name": "Mucronine B", "names": [ "Mucronine B" ] }, { "compound_id": "C10011", "inchi": "InChI=1S/C23H32N4O4/c1-5-15(2)20-22(29)24-12-10-16-6-8-17(9-7-16)31-18-11-13-27(19(28)14-26(3)4)21(18)23(30)25-20/h6-10,12,15,18,20-21H,5,11,13-14H2,1-4H3,(H,24,29)(H,25,30)/b12-10-/t15-,18-,20-,21-/m0/s1", "name": "Nummularine F", "names": [ "Nummularine F" ] }, { "compound_id": "C10012", "inchi": "InChI=1S/C31H44N4O5/c1-7-20(4)27(35(5)6)31(39)34-26-28(19(2)3)40-23-15-13-22(14-16-23)25(36)18-32-29(37)24(33-30(26)38)17-21-11-9-8-10-12-21/h8-16,19-20,24-28,36H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)/t20?,24-,25?,26-,27-,28-/m0/s1", "name": "Pandamine", "names": [ "Pandamine" ] }, { "compound_id": "C10013", "inchi": "InChI=1S/C30H38N4O4/c1-5-6-12-24-30(37)34(19-33(24)4)26-27(22-10-8-7-9-11-22)38-23-15-13-21(14-16-23)17-18-31-28(35)25(20(2)3)32-29(26)36/h7-11,13-18,20,24-27H,5-6,12,19H2,1-4H3,(H,31,35)(H,32,36)/b18-17-/t24?,25-,26-,27+/m0/s1", "name": "Sativanine B", "names": [ "Sativanine B" ] }, { "compound_id": "C10014", "inchi": "InChI=1S/C38H45N5O5/c1-25(2)34-33(42-36(45)32-15-10-22-43(32)38(47)31(39-3)24-28-13-8-5-9-14-28)37(46)41-30(23-27-11-6-4-7-12-27)35(44)40-21-20-26-16-18-29(48-34)19-17-26/h4-9,11-14,16-21,25,30-34,39H,10,15,22-24H2,1-3H3,(H,40,44)(H,41,46)(H,42,45)/b21-20-/t30-,31-,32-,33-,34-/m0/s1", "name": "Scutianine F", "names": [ "Scutianine F" ] }, { "compound_id": "C10015", "inchi": "InChI=1S/C33H49N5O6/c1-8-20(3)27(35-31(40)28(36(5)6)21(4)9-2)32(41)38-18-15-25-29(38)33(42)37-17-10-11-24(37)30(39)34-16-14-22-12-13-23(44-25)19-26(22)43-7/h12-14,16,19-21,24-25,27-29H,8-11,15,17-18H2,1-7H3,(H,34,39)(H,35,40)/b16-14-/t20-,21-,24-,25-,27-,28-,29-/m0/s1", "name": "Zizyphine A", "names": [ "Zizyphine A" ] }, { "compound_id": "C10016", "inchi": "InChI=1S/C32H47N5O6/c1-7-19(3)26(34-30(40)27(35(5)6)20(4)8-2)31(41)37-17-14-25-28(37)32(42)36-16-9-10-23(36)29(39)33-15-13-21-11-12-22(43-25)18-24(21)38/h11-13,15,18-20,23,25-28,38H,7-10,14,16-17H2,1-6H3,(H,33,39)(H,34,40)/b15-13-/t19-,20-,23-,25-,26-,27-,28-/m0/s1", "name": "Zizyphine F", "names": [ "Zizyphine F" ] }, { "compound_id": "C10017", "inchi": "InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14/h1-12,31-34,37-38H", "name": "Agathisflavone", "names": [ "6,8''-Biapigenin", "Agathisflavone" ] }, { "compound_id": "C10018", "inchi": "InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H", "name": "Amentoflavone", "names": [ "3',8''-Biapigenin", "Amentoflavone" ] }, { "compound_id": "C10019", "inchi": "InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3", "name": "Apigenin 7,4'-dimethyl ether", "names": [ "Apigenin 7,4'-dimethyl ether", "Apigenin dimethylether" ] }, { "compound_id": "C10020", "inchi": "InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17-,21-,22+,23-,24-/m1/s1", "name": "Apigenin 7-(6''-malonylglucoside)", "names": [ "Apigenin 7-(6''-malonylglucoside)", "Apigenin 7-O-(6-malonyl-beta-D-glucoside)" ] }, { "compound_id": "C10021", "inchi": "InChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3", "name": "Axillarin", "names": [ "Axillarin", "Quercetagetin 3,6-dimethyl ether" ] }, { "compound_id": "C10022", "inchi": "InChI=1S/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16(23-12)7-2-3-9(18)10(19)4-7/h2-6,17-19,21H,1H3", "name": "Azaleatin", "names": [ "Azaleatin", "Quercetin 5-methyl ether" ] }, { "compound_id": "C10023", "inchi": "InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H", "name": "Baicalein", "names": [ "5,6,7-Trihydroxyflavone", "Baicalein" ] }, { "compound_id": "C10024", "inchi": "InChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3", "name": "Baicalein 5,6,7-trimethyl ether", "names": [ "Baicalein 5,6,7-trimethyl ether" ] }, { "compound_id": "C10025", "inchi": "InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1", "name": "Baicalin", "names": [ "Baicalein 7-O-glucuronide", "Baicalin" ] }, { "compound_id": "C10026", "inchi": "InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1", "name": "Carlinoside", "names": [ "Carlinoside" ] }, { "compound_id": "C10027", "inchi": "InChI=1S/C18H15ClO7/c1-23-11-7-10(20)12-14(22)18(25-3)15(26-17(12)16(11)24-2)8-5-4-6-9(19)13(8)21/h4-7,20-21H,1-3H3", "name": "Chlorflavonin", "names": [ "Chlorflavonin" ] }, { "compound_id": "C10028", "inchi": "InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H", "name": "Chrysin", "names": [ "5,7-Dihydroxyflavone", "Chrysin" ] }, { "compound_id": "C10029", "inchi": "InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3", "name": "5,7-Dimethoxyflavone", "names": [ "5,7-Dimethoxyflavone", "Chrysin 5,7-dimethyl ether" ] }, { "compound_id": "C10030", "inchi": "InChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3", "name": "Chrysosplenetin", "names": [ "Chrysosplenetin", "Chrysosplenetin B", "Quercetagetin 3,6,7,3'-tetramethyl ether" ] }, { "compound_id": "C10031", "inchi": "InChI=1S/C18H16O8/c1-23-10-6-8(4-5-9(10)19)17-18(25-3)16(22)13-11(26-17)7-12(24-2)14(20)15(13)21/h4-7,19-21H,1-3H3", "name": "Chrysosplenol C", "names": [ "Chrysosplenol C", "Quercetagetin 3,7,3'-trimethyl ether" ] }, { "compound_id": "C10032", "inchi": "InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3", "name": "Cirsilineol", "names": [ "Cirsilineol" ] }, { "compound_id": "C10033", "inchi": "InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3", "name": "Cirsiliol", "names": [ "Cirsiliol" ] }, { "compound_id": "C10034", "inchi": "InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H", "name": "Cupressuflavone", "names": [ "8,8''-Biapigenin", "Cupressuflavone" ] }, { "compound_id": "C10035", "inchi": "InChI=1S/C18H16O4/c1-10-15(20)14-12(19)9-13(11-7-5-4-6-8-11)22-17(14)18(2,3)16(10)21/h4-9,20H,1-3H3", "name": "Dasytrichone", "names": [ "Dasytrichone" ] }, { "compound_id": "C10036", "inchi": "InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H", "name": "Datiscetin", "names": [ "3,5,7,2'-Tetrahydroxyflavone", "Datiscetin" ] }, { "compound_id": "C10037", "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H", "name": "3,7,4'-Trihydroxyflavone", "names": [ "3,7,4'-Trihydroxyflavone", "5-Deoxykaempferol" ] }, { "compound_id": "C10038", "inchi": "InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3", "name": "Diosmetin", "names": [ "Diosmetin", "Luteolin 4'-methyl ether" ] }, { "compound_id": "C10039", "inchi": "InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1", "name": "Diosmin", "names": [ "Diosmetin 7-O-rutinoside", "Diosmin" ] }, { "compound_id": "C10040", "inchi": "InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3", "name": "Eupatilin", "names": [ "Eupatilin" ] }, { "compound_id": "C10041", "inchi": "InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H", "name": "Fisetin", "names": [ "7,3',4'-Trihydroxyflavonol", "Fisetin" ] }, { "compound_id": "C10042", "inchi": "InChI=1S/C21H20O11/c22-6-12-15(27)16(28)18(30)21(31-12)13-10(24)4-2-8-14(26)17(29)19(32-20(8)13)7-1-3-9(23)11(25)5-7/h1-5,12,15-16,18,21-25,27-30H,6H2/t12-,15-,16+,18-,21+/m1/s1", "name": "Fisetin 8-C-glucoside", "names": [ "Fisetin 8-C-glucoside" ] }, { "compound_id": "C10043", "inchi": "InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H", "name": "2-Phenyl-4-benzopyron", "names": [ "2-Phenyl-4-benzopyron", "2-Phenyl-4-chromone", "Flavone" ] }, { "compound_id": "C10044", "inchi": "InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H", "name": "Galangin", "names": [ "3,5,7-Trihydroxyflavone", "Galangin" ] }, { "compound_id": "C10045", "inchi": "InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3", "name": "3,5,7-Trimethoxyflavone", "names": [ "3,5,7-Trimethoxyflavone", "Chromen-4-one, 3,5,7-trimethoxy-2-phenyl-", "Galangin 3,5,7-trimethyl ether" ] }, { "compound_id": "C10046", "inchi": "InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3", "name": "Genkwanin", "names": [ "Apigenin 7-methyl ether", "Genkwanin" ] }, { "compound_id": "C10047", "inchi": "InChI=1S/C16H12O5/c1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14/h2-8,17-18H,1H3", "name": "Geraldone", "names": [ "5-Deoxychrysoeriol", "Geraldone" ] }, { "compound_id": "C10048", "inchi": "InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3", "name": "Ginkgetin", "names": [ "Amentoflavone 7,4'-dimethyl ether", "Ginkgetin" ] }, { "compound_id": "C10049", "inchi": "InChI=1S/C20H18O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,21-22,24H,9H2,1-2H3", "name": "Glepidotin A", "names": [ "8-(3,3-DMA)galangin", "8-(3,3-Dimethylallyl)galangin", "8-Prenylgalangin", "Glepidotin A" ] }, { "compound_id": "C10050", "inchi": "InChI=1S/C21H20O12/c1-6-13(26)15(28)17(30)21(31-6)33-19-11(25)5-10(24)12-14(27)16(29)18(32-20(12)19)7-2-3-8(22)9(23)4-7/h2-6,13,15,17,21-26,28-30H,1H3/t6-,13-,15+,17+,21-/m0/s1", "name": "Gossypetin 8-rhamnoside", "names": [ "Gossypetin 8-rhamnoside" ] }, { "compound_id": "C10051", "inchi": "InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21+/m1/s1", "name": "Gossypin", "names": [ "Gossypetin 8-O-glucoside", "Gossypin" ] }, { "compound_id": "C10052", "inchi": "InChI=1S/C14H10O6/c1-19-6-2-10(17)13-12(3-6)20-11-5-9(16)8(15)4-7(11)14(13)18/h2-5,15-17H,1H3", "name": "Athyriol", "names": [ "3-Methoxy-1,6,7-trihydroxyxanthone", "Athyriol" ] }, { "compound_id": "C10053", "inchi": "InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3", "name": "Bellidifolin", "names": [ "3-Methoxy-1,5,8-trihydroxyxanthone", "Bellidifolin" ] }, { "compound_id": "C10054", "inchi": "InChI=1S/C18H16O4/c1-10(2)6-7-11-8-9-12-17(21)15-13(19)4-3-5-14(15)22-18(12)16(11)20/h3-6,8-9,19-20H,7H2,1-2H3", "name": "Calophyllin B", "names": [ "6-(3,3-Dimethylallyl)-1,5-dihydroxyxanthone", "Calophyllin B" ] }, { "compound_id": "C10055", "inchi": "InChI=1S/C18H14O4/c1-18(2)9-8-10-6-7-11-15(20)14-12(19)4-3-5-13(14)21-17(11)16(10)22-18/h3-9,19H,1-2H3", "name": "Dehydrocycloguanandin", "names": [ "Dehydrocycloguanandin" ] }, { "compound_id": "C10056", "inchi": "InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H", "name": "Demethylbellidifolin", "names": [ "1,3,5,8-Tetrahydroxyxanthone", "Demethylbellidifolin" ] }, { "compound_id": "C10057", "inchi": "InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H", "name": "Hinokiflavone", "names": [ "Hinokiflavone" ] }, { "compound_id": "C10058", "inchi": "InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3", "name": "Hispidulin", "names": [ "Dinatin", "Hispidulin", "Scutellarein 6-methyl ether" ] }, { "compound_id": "C10059", "inchi": "InChI=1S/C18H14O5/c1-18(2)7-6-9-12(23-18)8-13-14(15(9)20)16(21)10-4-3-5-11(19)17(10)22-13/h3-8,19-20H,1-2H3", "name": "6-Deoxyjacareubin", "names": [ "6-Deoxyjacareubin" ] }, { "compound_id": "C10060", "inchi": "InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3", "name": "3,5-Dimethoxy-1,6-dihydroxyxanthone", "names": [ "3,5-Dimethoxy-1,6-dihydroxyxanthone" ] }, { "compound_id": "C10061", "inchi": "InChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1-6,14-15H", "name": "Euxanthone", "names": [ "1,7-Dihydroxyxanthone", "Euxanthone" ] }, { "compound_id": "C10062", "inchi": "InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27?,36-,37-,38-/m1/s1", "name": "Gambogic acid", "names": [ "Gambogic acid" ] }, { "compound_id": "C10063", "inchi": "InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3", "name": "Gartanin", "names": [ "1,3,5,8-Tetrahydroxy-2,4-diprenylxanthone", "Gartanin" ] }, { "compound_id": "C10064", "inchi": "InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3", "name": "Gentiacaulein", "names": [ "2,8-Dihydroxy-1,6-dimethoxyxanthone", "Gentiacaulein" ] }, { "compound_id": "C10065", "inchi": "InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H", "name": "Gentisein", "names": [ "1,3,7-Trihydroxyxanthone", "Gentisein" ] }, { "compound_id": "C10066", "inchi": "InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3", "name": "Gentisin", "names": [ "1,7-Dihydroxy-3-methoxyxanthone", "Gentisin" ] }, { "compound_id": "C10067", "inchi": "InChI=1S/C20H20O11/c1-29-19-7(22)3-2-6-13(24)12-9(30-18(6)19)4-8(23)11(15(12)26)20-17(28)16(27)14(25)10(5-21)31-20/h2-4,10,14,16-17,20-23,25-28H,5H2,1H3/t10-,14-,16+,17-,20+/m1/s1", "name": "Irisxanthone", "names": [ "Irisxanthone" ] }, { "compound_id": "C10068", "inchi": "InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)15-14(21)13(20)10-9(22-15)5-8(17)11(18)12(10)19/h1-5,16-19,21H", "name": "6-Hydroxykaempferol", "names": [ "6-Hydroxykaempferol" ] }, { "compound_id": "C10069", "inchi": "InChI=1S/C14H10O6/c1-19-11-5-10-7(4-8(11)16)14(18)13-9(17)2-6(15)3-12(13)20-10/h2-5,15-17H,1H3", "name": "Isoathyriol", "names": [ "6-Methoxy-1,3,7-trihydroxyxanthone", "Isoathyriol" ] }, { "compound_id": "C10070", "inchi": "InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3", "name": "Isogentisin", "names": [ "1,3-Dihydroxy--7-methoxyxanthone", "Isogentisin" ] }, { "compound_id": "C10071", "inchi": "InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(11-16(26)22(14)28-5)29-18-10-15(25)13-8-9-24(3,4)30-23(13)20(18)21(19)27/h6,10-11,25-26H,7-9H2,1-5H3", "name": "1-Isomangostin", "names": [ "1-Isomangostin" ] }, { "compound_id": "C10072", "inchi": "InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H", "name": "6-Hydroxyluteolin", "names": [ "5,6,7,3',4'-Pentahydroxyflavone", "6-Hydroxyluteolin" ] }, { "compound_id": "C10073", "inchi": "InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1", "name": "Hyperin", "names": [ "Hyperin", "Quercetin 3-galactoside" ] }, { "compound_id": "C10074", "inchi": "InChI=1S/C18H14O6/c1-18(2)6-5-8-11(24-18)7-12-13(14(8)20)15(21)9-3-4-10(19)16(22)17(9)23-12/h3-7,19-20,22H,1-2H3", "name": "Jacareubin", "names": [ "Jacareubin" ] }, { "compound_id": "C10075", "inchi": "InChI=1S/C19H18O10/c20-5-11-15(25)16(26)17(27)19(29-11)13-9(23)4-8(22)12-14(24)7-3-6(21)1-2-10(7)28-18(12)13/h1-4,11,15-17,19-23,25-27H,5H2/t11-,15-,16+,17-,19+/m1/s1", "name": "Lancerin", "names": [ "4-C-Glucosyl-1,3,7-trihydroxyxanthone", "Lancerin" ] }, { "compound_id": "C10076", "inchi": "InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3", "name": "Macluraxanthone", "names": [ "3-Hydroxyblancoxanthone", "Macluraxanthone" ] }, { "compound_id": "C10077", "inchi": "InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1", "name": "Mangiferin", "names": [ "Chinomin", "Mangiferin" ] }, { "compound_id": "C10078", "inchi": "InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(21)15(13)22-12/h1-5,16-18,20-21H", "name": "Hypolaetin", "names": [ "8-Hydroxyluteolin", "Hypolaetin" ] }, { "compound_id": "C10079", "inchi": "InChI=1S/C15H10O7/c16-6-1-11(20)15-12(21)5-13(22-14(15)2-6)7-3-9(18)10(19)4-8(7)17/h1-5,16-20H", "name": "Isoetin", "names": [ "5,7,2',4',5'-Pentahydroxyflavone", "Isoetin" ] }, { "compound_id": "C10080", "inchi": "InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3", "name": "Mangostin", "names": [ "Mangostin" ] }, { "compound_id": "C10081", "inchi": "InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3", "name": "Mesuaxanthone A", "names": [ "1,5-Dihydroxy-3-methoxyxanthone", "Mesuaxanthone A" ] }, { "compound_id": "C10082", "inchi": "InChI=1S/C13H8O5/c14-7-2-1-3-9-10(7)11(16)6-4-5-8(15)12(17)13(6)18-9/h1-5,14-15,17H", "name": "Mesuaxanthone B", "names": [ "1,5,6-Trihydroxyxanthone", "Mesuaxanthone B" ] }, { "compound_id": "C10083", "inchi": "InChI=1S/C15H12O6/c1-19-7-5-8(16)12-11(6-7)21-9-3-4-10(20-2)14(17)13(9)15(12)18/h3-6,16-17H,1-2H3", "name": "2-O-Methylswertianin", "names": [ "1,8-Dihydroxy-2,6-dimethoxyxanthone", "2-O-Methylswertianin" ] }, { "compound_id": "C10084", "inchi": "InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3", "name": "Isorhamnetin", "names": [ "3-Methylquercetin", "Isorhamnetin", "Quercetin 3'-methyl ether" ] }, { "compound_id": "C10085", "inchi": "InChI=1S/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3/b18-10-/t19-,23?,32-,33-/m1/s1", "name": "Morellin", "names": [ "Morellin" ] }, { "compound_id": "C10086", "inchi": "InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H", "name": "Norathyriol", "names": [ "1,3,6,7-Tetrahydroxyxanthone", "Norathyriol" ] }, { "compound_id": "C10087", "inchi": "InChI=1S/C14H10O5/c1-6-2-7(15)4-10-12(6)14(18)13-9(17)3-8(16)5-11(13)19-10/h2-5,15-17H,1H3", "name": "Norlichexanthone", "names": [ "1,3,6-Trihydroxy-8-methyl-9H-xanthen-9-one", "Norlichexanthone" ] }, { "compound_id": "C10088", "inchi": "InChI=1S/C13H8O6/c14-5-3-7(16)10-9(4-5)19-8-2-1-6(15)12(17)11(8)13(10)18/h1-4,14-17H", "name": "Norswertianin", "names": [ "1,2,6,8-Tetrahydroxyxanthone", "Norswertianin" ] }, { "compound_id": "C10089", "inchi": "InChI=1S/C19H18O11/c20-5-11-14(24)16(26)17(27)19(30-11)29-9-2-1-7(22)18-13(9)15(25)12-8(23)3-6(21)4-10(12)28-18/h1-4,11,14,16-17,19-24,26-27H,5H2/t11-,14-,16+,17-,19-/m1/s1", "name": "Norswertianolin", "names": [ "Norswertianolin" ] }, { "compound_id": "C10090", "inchi": "InChI=1S/C19H16O6/c1-19(8-23-19)14-6-10-12(24-14)7-13(22-2)15-16(21)9-4-3-5-11(20)17(9)25-18(10)15/h3-5,7,14,20H,6,8H2,1-2H3/t14-,19-/m1/s1", "name": "Psorospermin", "names": [ "Psorospermin" ] }, { "compound_id": "C10091", "inchi": "InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-15-10(20-2)4-3-8(16)13(15)14(12)18/h3-6,16-17H,1-2H3", "name": "Swerchirin", "names": [ "3,5-Dimethoxy-1,8-dihydroxyxanthone", "5-O-Methylbellidifolin", "Swerchirin" ] }, { "compound_id": "C10092", "inchi": "InChI=1S/C14H10O6/c1-19-6-4-8(16)11-10(5-6)20-9-3-2-7(15)13(17)12(9)14(11)18/h2-5,15-17H,1H3", "name": "Swertianin", "names": [ "1,2,8-Trihydroxy-6-methoxyxanthone", "Swertianin" ] }, { "compound_id": "C10093", "inchi": "InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1", "name": "Swertianolin", "names": [ "Bellidifolin-8-O-glucoside", "Swertianolin" ] }, { "compound_id": "C10094", "inchi": "InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H", "name": "1,3,5-Trihydroxyxanthone", "names": [ "1,3,5-Trihydroxyxanthone" ] }, { "compound_id": "C10095", "inchi": "InChI=1S/C19H18O11/c20-5-13-16(25)17(26)18(27)19(30-13)29-11-4-10-7(3-8(11)22)15(24)14-9(23)1-6(21)2-12(14)28-10/h1-4,13,16-23,25-27H,5H2/t13-,16-,17+,18-,19-/m1/s1", "name": "Tripteroside", "names": [ "Norathyriol-6-O-beta-D-glucoside", "Tripteroside" ] }, { "compound_id": "C10097", "inchi": "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-6,16-17,19-20H", "name": "Isoscutellarein", "names": [ "8-Hydroxyapigenin", "Isoscutellarein" ] }, { "compound_id": "C10098", "inchi": "InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3", "name": "Kaempferide", "names": [ "Kaempferide", "Kaempferol 4'-methyl ether", "Kempferide" ] }, { "compound_id": "C10099", "inchi": "InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m0/s1", "name": "Kuwanone G", "names": [ "Kuwanone G" ] }, { "compound_id": "C10100", "inchi": "InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m0/s1", "name": "Kuwanone H", "names": [ "Kuwanone H" ] }, { "compound_id": "C10101", "inchi": "InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1", "name": "(-)-Usnic acid", "names": [ "(-)-Usnic acid", "(S)-Usnate", "(S)-Usnic acid" ] }, { "compound_id": "C10102", "inchi": "InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1", "name": "Lucenin-2", "names": [ "Lucenin-2", "Luteolin 6,8-di-C-glucoside" ] }, { "compound_id": "C10103", "inchi": "InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1", "name": "Luteolin 7-O-(6''-malonylglucoside)", "names": [ "Luteolin 7-O-(6''-malonylglucoside)" ] }, { "compound_id": "C10104", "inchi": "InChI=1S/C22H22O11/c1-8-17(26)19(28)20(29)22(31-8)33-15-7-14-16(18(27)21(15)30-2)12(25)6-13(32-14)9-3-4-10(23)11(24)5-9/h3-8,17,19-20,22-24,26-29H,1-2H3/t8-,17-,19+,20+,22-/m0/s1", "name": "6-Methoxyluteolin 7-rhamnoside", "names": [ "6-Methoxyluteolin 7-rhamnoside" ] }, { "compound_id": "C10105", "inchi": "InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H", "name": "Morin", "names": [ "3,5,7,2',4'-Pentahydroxyflavone", "C.I.Natural Yellow 8", "Morin" ] }, { "compound_id": "C10106", "inchi": "InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3", "name": "Morusin", "names": [ "Morusin" ] }, { "compound_id": "C10107", "inchi": "InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H", "name": "Myricetin", "names": [ "3,5,7,3',4',5'-Hexahydroxyflavone", "Myricetin" ] }, { "compound_id": "C10108", "inchi": "InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1", "name": "Myricitrin", "names": [ "Myricetin 3-O-rhamnoside", "Myricitrin" ] }, { "compound_id": "C10109", "inchi": "InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2/t11-,13+,17-,18+,21-,22+,23+,25+,26-/m0/s1", "name": "Neocarlinoside", "names": [ "Neocarlinoside" ] }, { "compound_id": "C10110", "inchi": "InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25+,26-/m0/s1", "name": "Neoschaftoside", "names": [ "Neoschaftoside" ] }, { "compound_id": "C10111", "inchi": "InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3", "name": "Nevadensin", "names": [ "Nevadensin" ] }, { "compound_id": "C10112", "inchi": "InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3", "name": "Nobiletin", "names": [ "5,6,7,8,3',4'-Hexamethoxyflavone", "Hexamethoxyflavone", "Nobiletin" ] }, { "compound_id": "C10113", "inchi": "InChI=1S/C15H10O5/c16-9-6-11(18)14(19)15-13(9)10(17)7-12(20-15)8-4-2-1-3-5-8/h1-7,16,18-19H", "name": "Norwogonin", "names": [ "5,7,8-Trihydroxyflavone", "Norwogonin" ] }, { "compound_id": "C10114", "inchi": "InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1", "name": "Orientin", "names": [ "Luteolin 8-C-glucoside", "Orientin" ] }, { "compound_id": "C10115", "inchi": "InChI=1S/C18H16O8/c1-23-8-4-12(21)15-14(5-8)26-17(18(25-3)16(15)22)9-6-11(20)13(24-2)7-10(9)19/h4-7,19-21H,1-3H3", "name": "Oxyanin A", "names": [ "Oxyanin A", "Oxyayanin A" ] }, { "compound_id": "C10116", "inchi": "InChI=1S/C18H16O8/c1-23-10-5-4-8(6-9(10)19)17-18(25-3)16(22)13-11(26-17)7-12(24-2)14(20)15(13)21/h4-7,19-21H,1-3H3", "name": "Oxyanin B", "names": [ "Oxyanin B", "Oxyayanin B" ] }, { "compound_id": "C10117", "inchi": "InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3", "name": "Pachypodol", "names": [ "Pachypodol", "Quercetin 3,7,3'-trimethyl ether" ] }, { "compound_id": "C10118", "inchi": "InChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3", "name": "Patuletin", "names": [ "Patuletin", "Quercetagetin 6-methyl ether" ] }, { "compound_id": "C10119", "inchi": "InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3", "name": "Pedalitin", "names": [ "3',4',5,6-Tetrahydroxy-7-methoxyflavone", "Pedalitin" ] }, { "compound_id": "C10120", "inchi": "InChI=1S/C16H12O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,17-20,22H,1H3", "name": "Pinoquercetin", "names": [ "6-C-Methylquercetin", "Pinoquercetin" ] }, { "compound_id": "C10121", "inchi": "InChI=1S/C15H10O4/c16-10-6-7-11(17)15-14(10)12(18)8-13(19-15)9-4-2-1-3-5-9/h1-8,16-17H", "name": "Primetin", "names": [ "5,8-Dihydroxyflavone", "Primetin" ] }, { "compound_id": "C10122", "inchi": "InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H", "name": "Quercetagetin", "names": [ "6-Hydroxyquercetin", "Quercetagetin" ] }, { "compound_id": "C10123", "inchi": "InChI=1S/C19H24N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,15,18,20H,4-6,9-10,13-14H2/b12-11+/t18-/m0/s1", "name": "Adenocarpine", "names": [ "Adenocarpine" ] }, { "compound_id": "C10124", "inchi": "InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2/t4-,5+,6+,7-,8-/m1/s1", "name": "Alexine", "names": [ "Alexine" ] }, { "compound_id": "C10125", "inchi": "InChI=1S/C12H20N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h9,12-13H,2-8H2,1H3/t12-/m1/s1", "name": "Ammodendrine", "names": [ "Ammodendrine", "Spherocarpine" ] }, { "compound_id": "C10126", "inchi": "InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1", "name": "Anatabine", "names": [ "(-)-Anatabine", "Anatabine" ] }, { "compound_id": "C10127", "inchi": "InChI=1S/C11H9NO3/c1-14-9-5-10(15-11(13)6-9)8-3-2-4-12-7-8/h2-7H,1H3", "name": "Anibine", "names": [ "Anibine" ] }, { "compound_id": "C10128", "inchi": "InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)", "name": "Arecaidine", "names": [ "Arecaidine" ] }, { "compound_id": "C10129", "inchi": "InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3", "name": "Arecoline", "names": [ "Arecoline" ] }, { "compound_id": "C10130", "inchi": "InChI=1S/C20H26N2O/c1-21-13-5-4-8-18(21)16-9-11-19-17-7-3-2-6-15(17)10-12-20(23)22(19)14-16/h2-3,6-7,10,12,16,18-19H,4-5,8-9,11,13-14H2,1H3/t16-,18+,19+/m0/s1", "name": "Astrocasine", "names": [ "Astrocasine" ] }, { "compound_id": "C10131", "inchi": "InChI=1S/C19H26N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,17-18,20H,4-6,9-10,13-15H2/b12-11-/t17-,18+/m1/s1", "name": "Astrophylline", "names": [ "Astrophylline" ] }, { "compound_id": "C10132", "inchi": "InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2/t4-,5+,6-,7-,8-/m1/s1", "name": "Australine", "names": [ "Australine" ] }, { "compound_id": "C10133", "inchi": "InChI=1S/C5H7N3/c6-5(7)4-1-2-8-3-4/h1-3,8H,(H3,6,7)", "name": "Brunfelsamidine", "names": [ "Brunfelsamidine" ] }, { "compound_id": "C10134", "inchi": "InChI=1S/C12H15NO7/c14-8-7(20-12(18)10(16)9(8)15)5-19-11(17)6-2-1-3-13-4-6/h1-4,7-10,12,14-16,18H,5H2/t7-,8-,9+,10-,12+/m1/s1", "name": "Buchananine", "names": [ "Buchananine" ] }, { "compound_id": "C10135", "inchi": "InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1", "name": "Carpaine", "names": [ "Carpaine" ] }, { "compound_id": "C10136", "inchi": "InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1", "name": "Cassine", "names": [ "Cassine" ] }, { "compound_id": "C10137", "inchi": "InChI=1S/C14H21NO4/c1-8-13(16)14(17)12(15(8)2)9-5-6-10(18-3)11(7-9)19-4/h5-8,12-14,16-17H,1-4H3/t8-,12-,13-,14-/m1/s1", "name": "Codonopsine", "names": [ "Codonopsine" ] }, { "compound_id": "C10138", "inchi": "InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3", "name": "gamma-Coniceine", "names": [ "gamma-Coniceine" ] }, { "compound_id": "C10139", "inchi": "InChI=1S/C17H27NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h5-12,15-17,19H,4,13-14H2,1-3H3/b6-5+,8-7+,10-9+,12-11+/t15-,16+,17-/m0/s1", "name": "Cryptophorine", "names": [ "Cryptophorine" ] }, { "compound_id": "C10140", "inchi": "InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/m1/s1", "name": "Cucurbitine", "names": [ "Cucurbitine" ] }, { "compound_id": "C10141", "inchi": "InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1", "name": "Deoxymannojirimycin", "names": [ "DMJ", "Deoxymannojirimycin" ] }, { "compound_id": "C10142", "inchi": "InChI=1S/C13H19NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11-,13+/m1/s1", "name": "Dioscorine", "names": [ "Dioscorine" ] }, { "compound_id": "C10143", "inchi": "InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1", "name": "DMDP", "names": [ "2,5-Dihydroxymethyl-3,4-dihydroxypyrrolidine", "DMDP" ] }, { "compound_id": "C10144", "inchi": "InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1", "name": "Fagomine", "names": [ "Fagomine" ] }, { "compound_id": "C10145", "inchi": "InChI=1S/C18H24N2O5/c1-9-11(3)24-17(22)15(9)19-7-13-5-6-14(8-21)20(13)16-10(2)12(4)25-18(16)23/h5-7,9-12,15-16,21H,8H2,1-4H3/b19-7+/t9-,10?,11-,12-,15+,16-/m1/s1", "name": "Funebrine", "names": [ "Funebrine" ] }, { "compound_id": "C10146", "inchi": "InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)", "name": "Fusaric acid", "names": [ "Fusaric acid" ] }, { "compound_id": "C10147", "inchi": "InChI=1S/C11H19NO2S4/c1-12-6(10-8(13)4-15-17-10)2-3-7(12)11-9(14)5-16-18-11/h6-11,13-14H,2-5H2,1H3/t6-,7-,8+,9+,10+,11+/m1/s1", "name": "Gerrardine", "names": [ "Gerrardine" ] }, { "compound_id": "C10148", "inchi": "InChI=1S/C13H16N2O/c14-10-13(15-8-2-1-3-9-15)11-4-6-12(16)7-5-11/h4-7,13,16H,1-3,8-9H2", "name": "Girgensonine", "names": [ "Girgensonine" ] }, { "compound_id": "C10149", "inchi": "InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)", "name": "Guvacine", "names": [ "Guvacine" ] }, { "compound_id": "C10150", "inchi": "InChI=1S/C14H19NO5/c1-5-6-7-8(2)10(16)9-11(17)12(19-3)14(20-4)15-13(9)18/h5-6,8H,7H2,1-4H3,(H2,15,17,18)/b6-5+/t8-/m1/s1", "name": "Harzianopyridone", "names": [ "Harzianopyridone" ] }, { "compound_id": "C10151", "inchi": "InChI=1S/C7H13NO3/c1-8(2)4-3-5(9)6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5?,6-/m0/s1", "name": "3-Hydroxystachydrine", "names": [ "3-Hydroxystachydrine" ] }, { "compound_id": "C10152", "inchi": "InChI=1S/C8H17NO/c1-7(10)6-8-4-3-5-9(8)2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1", "name": "(-)-Hygroline", "names": [ "(-)-Hygroline" ] }, { "compound_id": "C10153", "inchi": "InChI=1S/C18H25NO2/c1-3-17(20)12-15-10-7-11-16(19(15)2)13-18(21)14-8-5-4-6-9-14/h4-10,15-17,20H,3,11-13H2,1-2H3/t15-,16+,17?/m1/s1", "name": "Isolobinine", "names": [ "Isolobinine" ] }, { "compound_id": "C10154", "inchi": "InChI=1S/C40H75N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h30,32-33,35-42,44-45H,3-29,31H2,1-2H3/t32-,33-,35?,36+,37+,38?,39-,40-/m0/s1", "name": "Juliflorine", "names": [ "Juliflorine" ] }, { "compound_id": "C10155", "inchi": "InChI=1S/C8H15NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h6-8,10-11H,1-5H2/t6-,7-,8-/m0/s1", "name": "Lentiginosine", "names": [ "Lentiginosine" ] }, { "compound_id": "C10156", "inchi": "InChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20+,21-,22+", "name": "Lobelanidine", "names": [ "Lobelanidine" ] }, { "compound_id": "C10157", "inchi": "InChI=1S/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20+", "name": "Lobelanine", "names": [ "Lobelanine" ] }, { "compound_id": "C10158", "inchi": "InChI=1S/C9H13NO/c1-5-3-7-4-8(11)9(5)6(2)10-7/h5,7,9H,3-4H2,1-2H3", "name": "Mearsine", "names": [ "Mearsine" ] }, { "compound_id": "C10159", "inchi": "InChI=1S/C9H19N/c1-3-6-9-7-4-5-8-10(9)2/h9H,3-8H2,1-2H3/t9-/m0/s1", "name": "(+)-N-Methylconiine", "names": [ "(+)-N-Methylconiine" ] }, { "compound_id": "C10160", "inchi": "InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2", "name": "Myosmine", "names": [ "Myosmine" ] }, { "compound_id": "C10161", "inchi": "InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3", "name": "Nicotyrine", "names": [ "Nicotyrine", "beta-Nicotyrine" ] }, { "compound_id": "C10162", "inchi": "InChI=1S/C12H17N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2-6,9H,7-8,10-11H2,1H3/b3-2+,5-4+,9-6+", "name": "Nigrifactin", "names": [ "Nigrifactin" ] }, { "compound_id": "C10163", "inchi": "InChI=1S/C10H19NO/c12-9-4-1-2-5-10(9)6-3-7-11-8-10/h9,11-12H,1-8H2/t9-,10+/m1/s1", "name": "Nitramine", "names": [ "Nitramine" ] }, { "compound_id": "C10164", "inchi": "InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)", "name": "Picolinic acid", "names": [ "2-Pyridinecarboxylic acid", "Picolinic acid" ] }, { "compound_id": "C10165", "inchi": "InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1", "name": "Pinidine", "names": [ "(-)-Pinidine", "Pinidine", "Piperidine, 2-methyl-6-(1-propenyl)-, (2R-(2alpha,6alpha(E)))-" ] }, { "compound_id": "C10166", "inchi": "InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+", "name": "Piplartine", "names": [ "Piperlongumine", "Piplartine" ] }, { "compound_id": "C10167", "inchi": "InChI=1S/C18H35NO3/c1-2-16(21)11-9-7-5-3-4-6-8-10-15-12-13-18(22)17(14-20)19-15/h15,17-20,22H,2-14H2,1H3/t15-,17-,18+/m1/s1", "name": "(+)-Prosopinine", "names": [ "(+)-Prosopinine" ] }, { "compound_id": "C10168", "inchi": "InChI=1S/C8H17NO/c1-2-3-7-4-5-8(10)6-9-7/h7-10H,2-6H2,1H3/t7-,8-/m0/s1", "name": "Pseudoconhydrine", "names": [ "Pseudoconhydrine" ] }, { "compound_id": "C10169", "inchi": "InChI=1S/C14H19NO3/c1-17-13-6-5-10(8-14(13)18-2)12(16)9-11-4-3-7-15-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3", "name": "Ruspolinone", "names": [ "Ruspolinone" ] }, { "compound_id": "C10170", "inchi": "InChI=1S/C38H48N4O2/c43-37(41-23-11-17-29(25-41)31-19-7-9-21-39-31)35-33(27-13-3-1-4-14-27)36(34(35)28-15-5-2-6-16-28)38(44)42-24-12-18-30(26-42)32-20-8-10-22-40-32/h1-6,13-16,25-26,31-36,39-40H,7-12,17-24H2/t31-,32-,33-,34-,35-,36-/m1/s1", "name": "Santiaguine", "names": [ "Santiaguine" ] }, { "compound_id": "C10171", "inchi": "InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1", "name": "(-)-Sedamine", "names": [ "(-)-Sedamine" ] }, { "compound_id": "C10172", "inchi": "InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1", "name": "Stachydrine", "names": [ "Proline betaine", "Stachydrine" ] }, { "compound_id": "C10173", "inchi": "InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1", "name": "Swainsonine", "names": [ "Swainsonine" ] }, { "compound_id": "C10174", "inchi": "InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2/b5-1+,6-2+", "name": "Piperyline", "names": [ "Piperyline", "Trichostachine" ] }, { "compound_id": "C10175", "inchi": "InChI=1S/C32H38O20/c1-9-19(38)23(42)26(45)30(48-9)47-8-17-21(40)24(43)29(52-31-25(44)20(39)15(37)7-46-31)32(50-17)51-28-22(41)18-14(36)5-11(33)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23+,24-,25+,26+,29?,30+,31?,32-/m0/s1", "name": "Quercetin 3-(2G-xylosylrutinoside)", "names": [ "Quercetin 3-(2G-xylosylrutinoside)" ] }, { "compound_id": "C10176", "inchi": "InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3", "name": "Rhamnetin", "names": [ "Quercetin 7-methyl ether", "Rhamnetin" ] }, { "compound_id": "C10177", "inchi": "InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H", "name": "Robinetin", "names": [ "5-Deoxymyricetin", "Robinetin" ] }, { "compound_id": "C10178", "inchi": "InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1", "name": "Robinin", "names": [ "Robinin" ] }, { "compound_id": "C10179", "inchi": "InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H", "name": "Robustaflavone", "names": [ "3',6''-Biapigenin", "Robustaflavone" ] }, { "compound_id": "C10180", "inchi": "InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3", "name": "Santin", "names": [ "Santin" ] }, { "compound_id": "C10181", "inchi": "InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1", "name": "Schaftoside", "names": [ "Schaftoside" ] }, { "compound_id": "C10182", "inchi": "InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3", "name": "Sciadopitysin", "names": [ "Sciadopitysin" ] }, { "compound_id": "C10183", "inchi": "InChI=1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3", "name": "Scullcapflavone II", "names": [ "Scullcapflavone II" ] }, { "compound_id": "C10184", "inchi": "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H", "name": "Scutellarein", "names": [ "6-Hydroxyapigenin", "Isocarthamidin", "Scutellarein" ] }, { "compound_id": "C10185", "inchi": "InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3", "name": "Sexangularetin", "names": [ "Herbacetin 8-methyl ether", "Sexangularetin" ] }, { "compound_id": "C10186", "inchi": "InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3", "name": "Sinensetin", "names": [ "5,6,7,3',4'-Pentamethoxyflavone", "Sinensetin" ] }, { "compound_id": "C10187", "inchi": "InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1", "name": "Swertiajaponin", "names": [ "Swertiajaponin" ] }, { "compound_id": "C10188", "inchi": "InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3", "name": "Tamarixetin", "names": [ "Quercetin 4'-methyl ether", "Tamarixetin" ] }, { "compound_id": "C10189", "inchi": "InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-15(21)14(20)13-11(19)8-12(23-2)17(24-3)18(13)25-16/h4-8,19,21H,1-3H3", "name": "Tambulin", "names": [ "Herbacetin 7,8,4'-trimethyl ether", "Tambulin" ] }, { "compound_id": "C10190", "inchi": "InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3", "name": "Tangeretin", "names": [ "5,6,7,8,4'-Pentamethoxyflavone", "Tangeretin" ] }, { "compound_id": "C10191", "inchi": "InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)15(22)17(24-2)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3", "name": "Thymonin", "names": [ "Thymonin" ] }, { "compound_id": "C10192", "inchi": "InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H", "name": "Tricetin", "names": [ "5,7,3',4',5'-Pentahydroxyflavone", "Tricetin" ] }, { "compound_id": "C10193", "inchi": "InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3", "name": "Tricin", "names": [ "3',5'-O-Dimethyltricetin", "Tricetin 3',5'-di-methyl ether", "Tricin" ] }, { "compound_id": "C10194", "inchi": "InChI=1S/C20H16O7/c1-8(2)13-6-10-14(26-13)7-15-16(17(10)23)18(24)19(25)20(27-15)9-3-4-11(21)12(22)5-9/h3-5,7,13,21-23,25H,1,6H2,2H3", "name": "Velloquercetin", "names": [ "Velloquercetin" ] }, { "compound_id": "C10195", "inchi": "InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1", "name": "Vicenin-2", "names": [ "5,7,4'-Trihydroxyflavone-6,8-di-C-glucoside", "Apigenin-6,8-di-C-glycoside", "Vicenin-2" ] }, { "compound_id": "C10196", "inchi": "InChI=1S/C27H30O14/c1-8-17(31)21(35)23(37)27(39-8)16-20(34)15(26-24(38)22(36)18(32)13(7-28)41-26)19(33)14-11(30)6-12(40-25(14)16)9-2-4-10(29)5-3-9/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8-,13+,17-,18+,21+,22-,23+,24+,26-,27-/m0/s1", "name": "Violanthin", "names": [ "Violanthin" ] }, { "compound_id": "C10197", "inchi": "InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3", "name": "Wogonin", "names": [ "Norwogonin 8-methyl ether", "Wogonin" ] }, { "compound_id": "C10198", "inchi": "InChI=1S/C17H12O7/c18-17-5-19-14-8(1-2-10-15(14)23-7-20-10)16(17)24-11-4-13-12(3-9(11)17)21-6-22-13/h1-4,16,18H,5-7H2/t16-,17+/m0/s1", "name": "(-)-Acanthocarpan", "names": [ "(-)-Acanthocarpan" ] }, { "compound_id": "C10199", "inchi": "InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3", "name": "Afrormosin", "names": [ "Afrormosin" ] }, { "compound_id": "C10200", "inchi": "InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2", "name": "Anhydroglycinol", "names": [ "3,9-Dihydroxypterocarpen", "Anhydroglycinol" ] }, { "compound_id": "C10201", "inchi": "InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-10(15(14)19)9-4-2-3-5-11(9)18/h2-7,18H,8H2,1H3", "name": "Betavulgarin", "names": [ "Betavulgarin" ] }, { "compound_id": "C10202", "inchi": "InChI=1S/C16H10O6/c1-21-15-6-12(18)10(5-13(15)19)11-7-22-14-4-8(17)2-3-9(14)16(11)20/h2-7,17H,1H3", "name": "Bowdichione", "names": [ "Bowdichione" ] }, { "compound_id": "C10203", "inchi": "InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3", "name": "Cajanin", "names": [ "Cajanin" ] }, { "compound_id": "C10204", "inchi": "InChI=1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3", "name": "Cajanol", "names": [ "Cajanol" ] }, { "compound_id": "C10205", "inchi": "InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H", "name": "Coumestrol", "names": [ "Coumestrol" ] }, { "compound_id": "C10206", "inchi": "InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1", "name": "Cristacarpin", "names": [ "Cristacarpin" ] }, { "compound_id": "C10207", "inchi": "InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-8,13,21-23H,9H2,1-2H3", "name": "Cyclokievitone", "names": [ "Cyclokievitone" ] }, { "compound_id": "C10208", "inchi": "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H", "name": "Daidzein", "names": [ "Daidzein" ] }, { "compound_id": "C10209", "inchi": "InChI=1S/C30H26O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-21(36)25(30(18)40-28)26-24-20(35)9-17(33)10-23(24)39-29(27(26)38)14-3-7-16(32)8-4-14/h1-10,12,22,26-29,31-38H,11H2/t22-,26-,27-,28+,29+/m0/s1", "name": "Afzelechin-(4alpha->8)-afzelechin", "names": [ "Afzelechin-(4alpha->8)-afzelechin" ] }, { "compound_id": "C10210", "inchi": "InChI=1S/C82H54O52/c83-24-1-14(71(112)133-81-69-67(129-76(117)19-7-29(88)50(98)59(107)41(19)43-21(78(119)131-69)9-31(90)52(100)61(43)109)65-35(125-81)12-122-72(113)15-3-25(84)46(94)55(103)37(15)39-17(74(115)127-65)5-27(86)48(96)57(39)105)2-34(45(24)93)124-64-23(11-33(92)54(102)63(64)111)80(121)134-82-70-68(130-77(118)20-8-30(89)51(99)60(108)42(20)44-22(79(120)132-70)10-32(91)53(101)62(44)110)66-36(126-82)13-123-73(114)16-4-26(85)47(95)56(104)38(16)40-18(75(116)128-66)6-28(87)49(97)58(40)106/h1-11,35-36,65-70,81-111H,12-13H2/t35-,36-,65-,66-,67+,68+,69-,70-,81-,82-/m1/s1", "name": "Agrimoniin", "names": [ "Agrimoniin" ] }, { "compound_id": "C10211", "inchi": "InChI=1S/C41H26O26/c42-12-1-7-18(26(51)22(12)47)19-8(2-13(43)23(48)27(19)52)39(58)67-35-34(66-38(7)57)32-17(62-41(35)60)6-61-36(55)11-5-14(44)24(49)29(54)30(11)63-31-16(46)4-9-20(28(31)53)21-10(40(59)64-32)3-15(45)25(50)33(21)65-37(9)56/h1-5,17,32,34-35,41-54,60H,6H2/t17-,32-,34+,35-,41?/m1/s1", "name": "Alnusiin", "names": [ "Alnusiin" ] }, { "compound_id": "C10212", "inchi": "InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41+/m1/s1", "name": "Casuarictin", "names": [ "Casuarictin" ] }, { "compound_id": "C10213", "inchi": "InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32+,34-,35+,36+/m1/s1", "name": "Casuarinin", "names": [ "Casuarinin" ] }, { "compound_id": "C10214", "inchi": "InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1", "name": "Chebulagic acid", "names": [ "Chebulagic acid" ] }, { "compound_id": "C10215", "inchi": "InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1", "name": "Chebulinic acid", "names": [ "Chebulinic acid" ] }, { "compound_id": "C10216", "inchi": "InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1", "name": "Daidzin", "names": [ "Daidzein 7-O-glucoside", "Daidzin" ] }, { "compound_id": "C10217", "inchi": "InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1", "name": "Cinchonain 1a", "names": [ "Cinchonain 1a" ] }, { "compound_id": "C10218", "inchi": "InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(16-122-76(117)23-11-37(92)54(102)59(107)45(23)47-25(78(119)127-65)13-39(94)56(104)61(47)109)125-81(69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)133-75(116)22-9-36(91)53(101)42(10-22)124-64-27(15-41(96)58(106)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82)17-123-77(118)24-12-38(93)55(103)60(108)46(24)48-26(79(120)128-66)14-40(95)57(105)62(48)110/h1-15,43-44,65-70,81-111H,16-17H2/t43-,44-,65-,66-,67+,68+,69-,70-,81+,82+/m1/s1", "name": "Coriariin A", "names": [ "Coriariin A" ] }, { "compound_id": "C10219", "inchi": "InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1", "name": "Corilagin", "names": [ "Corilagin" ] }, { "compound_id": "C10220", "inchi": "InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)43)30(47)54-22-8-14(7-21(42)28(22)46)33(50)57-29-23(55-31(48)12-3-17(38)26(44)18(39)4-12)9-35(53,34(51)52)10-24(29)56-32(49)13-5-19(40)27(45)20(41)6-13/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29-,35+/m1/s1", "name": "3,5-Di-O-galloyl-4-O-digalloylquinic acid", "names": [ "3,5-Di-O-galloyl-4-O-digalloylquinic acid" ] }, { "compound_id": "C10221", "inchi": "InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29+/m0/s1", "name": "Epicatechin-(4beta->8)-ent-epicatechin", "names": [ "Epicatechin-(4beta->8)-ent-epicatechin" ] }, { "compound_id": "C10222", "inchi": "InChI=1S/C90H74O36/c91-33-19-48(105)60-59(20-33)121-81(28-2-8-36(93)43(100)14-28)75(116)70(60)62-50(107)23-52(109)64-72(77(118)83(123-87(62)64)30-4-10-38(95)45(102)16-30)66-54(111)25-56(113)68-74(79(120)85(125-89(66)68)32-6-12-40(97)47(104)18-32)69-57(114)26-55(112)67-73(78(119)84(126-90(67)69)31-5-11-39(96)46(103)17-31)65-53(110)24-51(108)63-71(76(117)82(124-88(63)65)29-3-9-37(94)44(101)15-29)61-49(106)22-41(98)34-21-58(115)80(122-86(34)61)27-1-7-35(92)42(99)13-27/h1-20,22-26,58,70-85,91-120H,21H2/t58-,70-,71+,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1", "name": "Cinnamtannin A4", "names": [ "Cinnamtannin A4", "[Epicatechin-(4beta->8)]5-epicatechin" ] }, { "compound_id": "C10223", "inchi": "InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(13-4-22(44)31(48)23(45)5-13)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30-,33-,34-,35-/m1/s1", "name": "Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester", "names": [ "Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester" ] }, { "compound_id": "C10224", "inchi": "InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1", "name": "Eugeniin", "names": [ "Eugeniin", "Tellimagrandin II" ] }, { "compound_id": "C10225", "inchi": "InChI=1S/C45H38O16/c46-20-4-6-22-32(14-20)59-43(18-2-9-26(49)29(52)12-18)40(57)34(22)36-38(55)24-16-31(54)42(17-1-8-25(48)28(51)11-17)61-45(24)37(39(36)56)35-23-7-5-21(47)15-33(23)60-44(41(35)58)19-3-10-27(50)30(53)13-19/h1-15,31,34-35,40-44,46-58H,16H2/t31-,34+,35+,40+,41+,42+,43+,44-/m0/s1", "name": "ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol", "names": [ "ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol" ] }, { "compound_id": "C10226", "inchi": "InChI=1S/C24H14O11/c25-8-1-9(26)3-11(2-8)32-21-13(29)6-14(30)22-24(21)35-23-17(34-22)7-16-19(20(23)31)18-12(28)4-10(27)5-15(18)33-16/h1-7,25-31H", "name": "Fucofuroeckol B", "names": [ "Fucofuroeckol B" ] }, { "compound_id": "C10227", "inchi": "InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24+,27+,28-,29-/m1/s1", "name": "Gallocatechin-(4alpha->8)-epigallocatechin", "names": [ "Gallocatechin-(4alpha->8)-epigallocatechin" ] }, { "compound_id": "C10228", "inchi": "InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26+,27+,28+,29+/m0/s1", "name": "Gambiriin C", "names": [ "Epiafzelechin-(4beta->8)-catechin", "Gambiriin C" ] }, { "compound_id": "C10229", "inchi": "InChI=1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)129-67-65-39(14-122-74(115)19-7-31(88)50(98)57(105)41(19)43-21(76(117)127-65)9-33(90)52(100)59(43)107)125-81(69(67)131-72(113)17-3-28(85)48(96)29(86)4-17)133-73(114)18-5-30(87)49(97)38(6-18)124-64-25(13-37(94)56(104)63(64)111)80(121)134-82-70-68(130-78(119)23-11-35(92)54(102)61(109)45(23)46-24(79(120)132-70)12-36(93)55(103)62(46)110)66-40(126-82)15-123-75(116)20-8-32(89)51(99)58(106)42(20)44-22(77(118)128-66)10-34(91)53(101)60(44)108/h1-13,39-40,65-70,81-111H,14-15H2/t39-,40-,65-,66-,67+,68+,69-,70-,81-,82-/m1/s1", "name": "Gemin A", "names": [ "Gemin A" ] }, { "compound_id": "C10230", "inchi": "InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1", "name": "Geraniin", "names": [ "Geraniin" ] }, { "compound_id": "C10231", "inchi": "InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)30-28(38)25(17-7-6-16(32)10-23(17)40-30)26-21(35)12-24-18(27(26)37)11-22(36)29(39-24)14-3-8-19(33)20(34)9-14/h1-10,12,22,25,28-38H,11H2/t22-,25+,28-,29+,30+/m0/s1", "name": "Guibourtinidol-(4alpha->6)-catechin", "names": [ "Guibourtinidol-(4alpha->6)-catechin" ] }, { "compound_id": "C10232", "inchi": "InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)65-32-30-22(9-62-37(57)14-8-23(49)41(61)40(59,60)25(14)24-13(38(58)64-30)7-21(48)29(53)31(24)68-41)63-39(67-36(56)12-5-19(46)28(52)20(47)6-12)33(32)66-35(55)11-3-17(44)27(51)18(45)4-11/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25-,30-,32+,33-,39+,41-/m1/s1", "name": "Isoterchebin", "names": [ "Isoterchebin", "Trapain" ] }, { "compound_id": "C10233", "inchi": "InChI=1S/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2/t17-,28+,34+,35-,36-,37-/m1/s1", "name": "Kandelin A-1", "names": [ "Cinchonain-1a-(4beta->8)-catechin", "Kandelin A-1" ] }, { "compound_id": "C10234", "inchi": "InChI=1S/C30H24O9/c31-16-5-1-14(2-6-16)28-23(36)11-19-21(34)12-25-27(29(19)37-28)20-13-30(39-25,15-3-7-17(32)8-4-15)38-24-10-18(33)9-22(35)26(20)24/h1-10,12,20,23,28,31-36H,11,13H2/t20?,23-,28-,30+/m1/s1", "name": "Mahuannin D", "names": [ "Mahuannin D", "ent-Apigeniflavan-(2alpha->7,4alpha->8)-epiafzelechin" ] }, { "compound_id": "C10235", "inchi": "InChI=1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)41(65)79-46-39-38-36(76-45(69)13-7-22(54)48(72)47(70,71)26(13)25-11(43(67)78-39)4-19(53)30(58)37(25)80-48)21(75-46)8-73-42(66)10-3-17(51)28(56)32(60)23(10)24-12(44(68)77-38)6-20(31(59)33(24)61)74-35-14(40(63)64)5-18(52)29(57)34(35)62/h1-7,21,26,36,38-39,46,49-53,55-62,70-72H,8H2,(H,63,64)", "name": "Mallotusinic acid", "names": [ "Mallotusinic acid" ] }, { "compound_id": "C10236", "inchi": "InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1", "name": "Pedunculagin", "names": [ "Pedunculagin" ] }, { "compound_id": "C10237", "inchi": "InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1", "name": "Proanthocyanidin A2", "names": [ "Epicatechin-(2beta->7,4beta->8)-epicatechin", "Proanthocyanidin A2" ] }, { "compound_id": "C10238", "inchi": "InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1", "name": "Procyanidin B4", "names": [ "Catechin-(4alpha->8)-epicatechin", "Procyanidin B4" ] }, { "compound_id": "C10239", "inchi": "InChI=1S/C45H38O18/c46-18-2-4-20-30(12-18)61-43(16-8-25(50)37(56)26(51)9-16)40(59)32(20)34-36(55)22-14-29(54)42(15-1-6-23(48)24(49)7-15)63-45(22)35(39(34)58)33-21-5-3-19(47)13-31(21)62-44(41(33)60)17-10-27(52)38(57)28(53)11-17/h1-13,29,32-33,40-44,46-60H,14H2/t29-,32-,33-,40-,41-,42+,43+,44+/m0/s1", "name": "Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol", "names": [ "Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol" ] }, { "compound_id": "C10240", "inchi": "InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(125-81(133-75(116)22-9-36(91)53(101)37(92)10-22)69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)17-123-77(118)26-15-42(58(106)62(110)48(26)47-25(79(120)127-65)13-40(95)56(104)61(47)109)124-64-27(14-41(96)57(105)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82)16-122-76(117)23-11-38(93)54(102)59(107)45(23)46-24(78(119)128-66)12-39(94)55(103)60(46)108/h1-15,43-44,65-70,81-111H,16-17H2/t43-,44-,65-,66-,67+,68+,69-,70-,81+,82+/m1/s1", "name": "Rugosin D", "names": [ "Rugosin D" ] }, { "compound_id": "C10241", "inchi": "InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34?/m1/s1", "name": "Tellimagrandin I", "names": [ "1-Desgalloyleugeniin", "Tellimagrandin I" ] }, { "compound_id": "C10242", "inchi": "InChI=1S/C28H10O16/c29-5-1-3-7(17(33)15(5)31)9-13-11-12-14(28(40)44-23(11)19(35)21(9)41-25(3)37)10-8-4(2-6(30)16(32)18(8)34)26(38)42-22(10)20(36)24(12)43-27(13)39/h1-2,29-36H", "name": "Terminalin", "names": [ "Gallagic acid", "Terminalin" ] }, { "compound_id": "C10243", "inchi": "InChI=1S/C34H28O22/c35-9-22-27(53-30(48)10-1-14(36)23(44)15(37)2-10)28(54-31(49)11-3-16(38)24(45)17(39)4-11)29(55-32(50)12-5-18(40)25(46)19(41)6-12)34(52-22)56-33(51)13-7-20(42)26(47)21(43)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34-/m1/s1", "name": "1,2,3,4-Tetragalloyl-alpha-D-glucose", "names": [ "1,2,3,4-Tetragalloyl-alpha-D-glucose" ] }, { "compound_id": "C10244", "inchi": "InChI=1S/C17H14O4/c1-19-11-5-9-3-4-10-6-13(18)17(20-2)12-8-21-14(7-11)16(9)15(10)12/h3-7,18H,8H2,1-2H3", "name": "Agrostophyllin", "names": [ "Agrostophyllin" ] }, { "compound_id": "C10245", "inchi": "InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1", "name": "Astringin", "names": [ "Astringin" ] }, { "compound_id": "C10246", "inchi": "InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3", "name": "Batatasin I", "names": [ "2,5,7-Trimethoxyphenanthren-3-ol", "Batatasin I" ] }, { "compound_id": "C10247", "inchi": "InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3", "name": "Batatasin IV", "names": [ "3-[2-(2-Hydroxyphenyl)ethyl]-5-methoxyphenol", "Batatasin IV" ] }, { "compound_id": "C10248", "inchi": "InChI=1S/C30H24O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3,5-7,9-14,31-34H,4,8H2,1-2H3", "name": "Blestriarene B", "names": [ "Blestriarene B" ] }, { "compound_id": "C10249", "inchi": "InChI=1S/C42H32O9/c43-22-7-1-19(2-8-22)34-36-28(13-25(46)16-31(36)49)39-35(20-3-9-23(44)10-4-20)37-29(14-26(47)17-32(37)50)41-38-30(40(34)39)15-27(48)18-33(38)51-42(41)21-5-11-24(45)12-6-21/h1-18,34-35,39-50H/t34-,35-,39+,40-,41-,42+/m1/s1", "name": "Canaliculatol", "names": [ "Canaliculatol" ] }, { "compound_id": "C10250", "inchi": "InChI=1S/C24H28O4/c1-16(2)5-4-6-17(3)7-12-21-23(27)13-18(14-24(21)28)8-9-19-10-11-20(25)15-22(19)26/h5,7-11,13-15,25-28H,4,6,12H2,1-3H3/b9-8+,17-7+", "name": "Chlorophorin", "names": [ "Chlorophorin" ] }, { "compound_id": "C10251", "inchi": "InChI=1S/C17H16O5/c1-20-16-10-4-3-8-5-9(18)6-12-13(8)14(10)11(7-22-12)15(19)17(16)21-2/h5-6,18-19H,3-4,7H2,1-2H3", "name": "Coelogin", "names": [ "Coelogin" ] }, { "compound_id": "C10252", "inchi": "InChI=1S/C42H32O9/c43-24-7-1-20(2-8-24)35-38(23-13-27(46)15-28(47)14-23)36(21-3-9-25(44)10-4-21)41-32-17-30(49)19-34(51)40(32)37(22-5-11-26(45)12-6-22)42(41)31-16-29(48)18-33(50)39(31)35/h1-19,35,37,41-51H/t35-,37+,41-,42+/m0/s1", "name": "Copalliferol B", "names": [ "Copalliferol B" ] }, { "compound_id": "C10253", "inchi": "InChI=1S/C14H14O3/c15-12-7-10(8-13(16)9-12)5-6-11-3-1-2-4-14(11)17/h1-4,7-9,15-17H,5-6H2", "name": "Demethylbatatasin IV", "names": [ "Demethylbatatasin IV" ] }, { "compound_id": "C10254", "inchi": "InChI=1S/C14H14O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2", "name": "Dihydropinosylvin", "names": [ "Dihydropinosylvin" ] }, { "compound_id": "C10255", "inchi": "InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2", "name": "Dihydroresveratrol", "names": [ "Dihydroresveratrol" ] }, { "compound_id": "C10256", "inchi": "InChI=1S/C16H18O4/c1-19-14-9-12(10-15(20-2)16(14)18)4-3-11-5-7-13(17)8-6-11/h5-10,17-18H,3-4H2,1-2H3", "name": "4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene", "names": [ "4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene" ] }, { "compound_id": "C10257", "inchi": "InChI=1S/C15H14O3/c1-18-12-7-10-3-2-9-6-11(16)4-5-13(9)15(10)14(17)8-12/h4-8,16-17H,2-3H2,1H3", "name": "4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene", "names": [ "4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene" ] }, { "compound_id": "C10258", "inchi": "InChI=1S/C15H12O3/c16-11-3-8-1-2-9-4-12(17)6-13-15(9)14(8)10(5-11)7-18-13/h3-6,16-17H,1-2,7H2", "name": "Flavidin", "names": [ "9,10-Dihydro-5H-phenanthro[4,5-bcd]pyran-2,7-diol", "Flavidin" ] }, { "compound_id": "C10259", "inchi": "InChI=1S/C19H22O3/c1-13(2)17(20)12-16-18(21)10-15(11-19(16)22)9-8-14-6-4-3-5-7-14/h3-7,10-11,17,20-22H,1,8-9,12H2,2H3", "name": "Glepidotin C", "names": [ "Glepidotin C" ] }, { "compound_id": "C10260", "inchi": "InChI=1S/C28H22O6/c29-19-7-2-15(3-8-19)1-4-17-13-23(33)27-24(16-5-9-20(30)10-6-16)25(26(17)28(27)34)18-11-21(31)14-22(32)12-18/h1-14,24-27,29-32H/b4-1+/t24-,25-,26+,27-/m1/s1", "name": "Gnetin A", "names": [ "Gnetin A" ] }, { "compound_id": "C10261", "inchi": "InChI=1S/C15H14O3/c1-18-13-8-11(16)7-10-6-5-9-3-2-4-12(17)14(9)15(10)13/h2-4,7-8,16-17H,5-6H2,1H3", "name": "Hircinol", "names": [ "Hircinol" ] }, { "compound_id": "C10262", "inchi": "InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2", "name": "Hydrangenol", "names": [ "Hydrangenol" ] }, { "compound_id": "C10263", "inchi": "InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11?,13-,15-/m0/s1", "name": "Amabiline", "names": [ "Amabiline", "Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester" ] }, { "compound_id": "C10264", "inchi": "InChI=1S/C21H22O4/c1-14(2)9-11-16-17(12-10-15-7-5-4-6-8-15)20(21(23)24)18(22)13-19(16)25-3/h4-10,12-13,22H,11H2,1-3H3,(H,23,24)/b12-10+", "name": "3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid", "names": [ "3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid" ] }, { "compound_id": "C10265", "inchi": "InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-14(18)15(20-2)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3", "name": "Isobatatasin I", "names": [ "Isobatatasin I" ] }, { "compound_id": "C10266", "inchi": "InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1", "name": "Isorhapontin", "names": [ "Isorhapontin" ] }, { "compound_id": "C10267", "inchi": "InChI=1S/C16H16O3/c1-18-12-8-11-7-6-10-4-3-5-13(17)15(10)16(11)14(9-12)19-2/h3-5,8-9,17H,6-7H2,1-2H3", "name": "Loroglossol", "names": [ "Loroglossol" ] }, { "compound_id": "C10268", "inchi": "InChI=1S/C15H14O4/c16-12-8-5-10(6-9-12)4-7-11-2-1-3-13(17)14(11)15(18)19/h1-3,5-6,8-9,16-17H,4,7H2,(H,18,19)", "name": "Lunularic acid", "names": [ "Lunularic acid" ] }, { "compound_id": "C10269", "inchi": "InChI=1S/C14H14O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10,15-16H,4-5H2", "name": "Lunularin", "names": [ "3,4'-Ethylenebisphenol", "Lunularin" ] }, { "compound_id": "C10270", "inchi": "InChI=1S/C28H24O5/c29-24-6-2-4-21-12-9-18-10-13-22(14-11-18)32-26-17-20(16-25(30)27(26)31)8-7-19-3-1-5-23(15-19)33-28(21)24/h1-6,10-11,13-17,29-31H,7-9,12H2", "name": "Marchantin A", "names": [ "Marchantin A" ] }, { "compound_id": "C10271", "inchi": "InChI=1S/C16H18O3/c1-18-15-5-3-4-12(9-15)6-7-13-8-14(17)11-16(10-13)19-2/h3-5,8-11,17H,6-7H2,1-2H3", "name": "3'-O-Methylbatatasin III", "names": [ "3'-O-Methylbatatasin III" ] }, { "compound_id": "C10272", "inchi": "InChI=1S/C16H16O3/c1-18-13-8-11-4-3-10-7-12(17)5-6-14(10)16(11)15(9-13)19-2/h5-9,17H,3-4H2,1-2H3", "name": "Orchinol", "names": [ "9,10-Dihydro-5,7-dimethoxyphenanthren-2-ol", "Orchinol" ] }, { "compound_id": "C10273", "inchi": "InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+", "name": "Oxyresveratrol", "names": [ "Oxyresveratrol" ] }, { "compound_id": "C10274", "inchi": "InChI=1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1", "name": "Phyllodulcin", "names": [ "Phyllodulcin" ] }, { "compound_id": "C10275", "inchi": "InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1", "name": "Piceid", "names": [ "3,4,5-Trihydroxystilbene-3-beta-monoglucoside", "Piceid", "Polydatin" ] }, { "compound_id": "C10276", "inchi": "InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+", "name": "Pinosylvin methyl ether", "names": [ "5-Methoxy-3-stilbenol", "Pinosylvin methyl ether" ] }, { "compound_id": "C10277", "inchi": "InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1", "name": "Anacrotine", "names": [ "Anacrotine" ] }, { "compound_id": "C10278", "inchi": "InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m0/s1", "name": "O-7-Angelylheliotridine", "names": [ "O-7-Angelylheliotridine", "Rivularine" ] }, { "compound_id": "C10279", "inchi": "InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4-/t12-,13+,14+,15+,18+/m0/s1", "name": "Angularine", "names": [ "Angularine" ] }, { "compound_id": "C10280", "inchi": "InChI=1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22-,24-,25-,26-,27+,28-,31+/m1/s1", "name": "Auriculine", "names": [ "Auriculine" ] }, { "compound_id": "C10281", "inchi": "InChI=1S/C19H22O2/c1-14(2)8-11-17-18(20)12-16(13-19(17)21)10-9-15-6-4-3-5-7-15/h3-8,12-13,20-21H,9-11H2,1-2H3", "name": "4-Prenyldihydropinosylvin", "names": [ "4-Prenyldihydropinosylvin" ] }, { "compound_id": "C10282", "inchi": "InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17-,21+/m1/s1", "name": "Clivoline", "names": [ "Clivoline" ] }, { "compound_id": "C10283", "inchi": "InChI=1S/C19H20O4/c1-12(2)3-8-16-18(22)9-13(10-19(16)23)4-5-14-6-7-15(20)11-17(14)21/h3-7,9-11,20-23H,8H2,1-2H3/b5-4+", "name": "4'-Prenyloxyresveratrol", "names": [ "4'-Prenyloxyresveratrol" ] }, { "compound_id": "C10284", "inchi": "InChI=1S/C8H13NO3/c10-4-5-1-2-9-3-6(11)8(12)7(5)9/h1,6-8,10-12H,2-4H2/t6-,7-,8-/m1/s1", "name": "Crotanecine", "names": [ "Crotanecine" ] }, { "compound_id": "C10285", "inchi": "InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-9,11-12,20-22H,10H2,1-2H3/b5-4+", "name": "4-Prenylresveratrol", "names": [ "4-Prenylresveratrol" ] }, { "compound_id": "C10286", "inchi": "InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21+/m1/s1", "name": "Doronine", "names": [ "4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-", "Doronine" ] }, { "compound_id": "C10287", "inchi": "InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+", "name": "Pterostilbene", "names": [ "Pterostilbene" ] }, { "compound_id": "C10288", "inchi": "InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1", "name": "Rhaponticin", "names": [ "Rhaponticin", "Rhapontin" ] }, { "compound_id": "C10289", "inchi": "InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1", "name": "epsilon-Viniferin", "names": [ "epsilon-Viniferin" ] }, { "compound_id": "C10290", "inchi": "InChI=1S/C10H8O4/c1-5-3-6-7(11)4-8(13-2)9(12)10(6)14-5/h3-4H,1-2H3", "name": "Acamelin", "names": [ "Acamelin" ] }, { "compound_id": "C10291", "inchi": "InChI=1S/C15H10O4/c1-19-11-7-6-10-12(15(11)18)14(17)9-5-3-2-4-8(9)13(10)16/h2-7,18H,1H3", "name": "Alizarin 2-methyl ether", "names": [ "1-Hydroxy-2-methoxyanthraquinone", "Alizarin 2-methyl ether" ] }, { "compound_id": "C10292", "inchi": "InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1", "name": "Alkannin", "names": [ "Alkannin" ] }, { "compound_id": "C10293", "inchi": "InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1", "name": "Alkannin beta,beta-dimethylacrylate", "names": [ "Alkannin beta,beta-dimethylacrylate" ] }, { "compound_id": "C10294", "inchi": "InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2", "name": "Aloe-emodin", "names": [ "Aloe-emodin" ] }, { "compound_id": "C10295", "inchi": "InChI=1S/C20H14O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-6,14,19,21-22,25-26H,7H2/t14-,19+,20-/m0/s1", "name": "Alteichin", "names": [ "Alteichin", "Alterperylenol" ] }, { "compound_id": "C10296", "inchi": "InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1", "name": "Altersolanol A", "names": [ "Altersolanol A" ] }, { "compound_id": "C10297", "inchi": "InChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H", "name": "Anthragallol", "names": [ "Anthragallol" ] }, { "compound_id": "C10298", "inchi": "InChI=1S/C24H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29-19(2)25)17-20-16-21(26)18-23(28-3)24(20)27/h16,18,22H,4-15,17H2,1-3H3", "name": "Ardisianone", "names": [ "Ardisianone" ] }, { "compound_id": "C10299", "inchi": "InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1", "name": "Echimidine", "names": [ "7-Angelyl-9-echimidinylretronecine", "Echimidine" ] }, { "compound_id": "C10300", "inchi": "InChI=1S/C12H10O4/c1-5-3-4-7(13)9-8(5)12(16)11(15)6(2)10(9)14/h3-4,13,15H,1-2H3", "name": "Aristolindiquinone", "names": [ "Aristolindiquinone" ] }, { "compound_id": "C10301", "inchi": "InChI=1S/C16H27NO6/c1-10(22-4)16(21,15(2,3)20)14(19)23-9-11-5-7-17-8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10?,12-,13+,16-/m0/s1", "name": "Europine", "names": [ "9-Lasiocarpylheliotridine", "Europine" ] }, { "compound_id": "C10302", "inchi": "InChI=1S/C18H22O4/c1-7-18(4)9-8-11(10(2)3)12-13(18)15(20)17(22-6)16(21-5)14(12)19/h7,11H,1-2,8-9H2,3-6H3", "name": "Arnebinone", "names": [ "Arnebinone" ] }, { "compound_id": "C10303", "inchi": "InChI=1S/C23H24O12/c1-7-4-8-13(22(33-3)14(7)25)17(28)12-9(15(8)26)5-10(21(32-2)18(12)29)34-23-20(31)19(30)16(27)11(6-24)35-23/h4-5,11,16,19-20,23-25,27,29-31H,6H2,1-3H3/t11-,16-,19+,20-,23-/m1/s1", "name": "Aurantio-obtusin beta-D-glucoside", "names": [ "Aurantio-obtusin beta-D-glucoside" ] }, { "compound_id": "C10304", "inchi": "InChI=1S/C16H23NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h4,9-10,12-13,20H,5-8H2,1-3H3/t9-,10+,12-,13-,16+/m1/s1", "name": "Fulvine", "names": [ "Fulvine" ] }, { "compound_id": "C10305", "inchi": "InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1", "name": "Barbaloin", "names": [ "Aloin", "Aloin A", "Barbaloin" ] }, { "compound_id": "C10306", "inchi": "InChI=1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,24-25H,1-3H3", "name": "Bikaverin", "names": [ "Bikaverin" ] }, { "compound_id": "C10307", "inchi": "InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1", "name": "Cascaroside A", "names": [ "Cascaroside A" ] }, { "compound_id": "C10308", "inchi": "InChI=1S/C30H18O8/c1-11-9-15-23(29(37)21-13(25(15)33)5-3-7-17(21)31)27(35)19(11)20-12(2)10-16-24(28(20)36)30(38)22-14(26(16)34)6-4-8-18(22)32/h3-10,31-32,35-36H,1-2H3", "name": "Cassiamin C", "names": [ "Cassiamin C" ] }, { "compound_id": "C10309", "inchi": "InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-33H,5-6,9H2,1-4H3/t10-,11-/m0/s1", "name": "Cercosporin", "names": [ "Cercosporin" ] }, { "compound_id": "C10310", "inchi": "InChI=1S/C12H10O2/c1-7-3-4-9-10(5-7)12(14)8(2)6-11(9)13/h3-6H,1-2H3", "name": "Chimaphylin", "names": [ "Chimaphilin", "Chimaphylin" ] }, { "compound_id": "C10311", "inchi": "InChI=1S/C15H9ClO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3", "name": "7-Chloroemodin", "names": [ "7-Chloroemodin" ] }, { "compound_id": "C10312", "inchi": "InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H", "name": "Danthron", "names": [ "1,8-Dihydroxyanthraquinone", "Chrysazin", "Danthron" ] }, { "compound_id": "C10313", "inchi": "InChI=1S/C25H28O12/c1-9-6-10-14(18(29)15-11(16(10)27)7-12(32-2)22(33-3)24(15)35-5)23(34-4)21(9)37-25-20(31)19(30)17(28)13(8-26)36-25/h6-7,13,17,19-20,25-26,28,30-31H,8H2,1-5H3/t13-,17-,19+,20-,25+/m1/s1", "name": "Chryso-obtusin glucoside", "names": [ "Chryso-obtusin glucoside" ] }, { "compound_id": "C10314", "inchi": "InChI=1S/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-6,16-17H,7H2,1H3", "name": "Chrysophanic acid 9-anthrone", "names": [ "Chrysarobin", "Chrysophanic acid 9-anthrone", "Chrysophanol anthrone" ] }, { "compound_id": "C10315", "inchi": "InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3", "name": "Chrysophanol", "names": [ "1,8-Dihydroxy-3-methylanthraquinone", "Chrysophanic acid", "Chrysophanol" ] }, { "compound_id": "C10316", "inchi": "InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1", "name": "Chrysophanol 8-O-beta-D-glucoside", "names": [ "Chrysophanol 8-O-beta-D-glucoside", "Chrysophanol 8-glucoside" ] }, { "compound_id": "C10317", "inchi": "InChI=1S/C20H22O6/c1-6-7-20(5)13-9(4)11-12(17(24)18(13)26-19(20)25)14(21)10(8(2)3)15(22)16(11)23/h6,8,19,22,24-25H,1,7H2,2-5H3/t19?,20-/m1/s1", "name": "Coleone A", "names": [ "Coleone A" ] }, { "compound_id": "C10318", "inchi": "InChI=1S/C60H56O11/c1-31(2)13-10-25-58(7)28-22-34-40(69-58)19-16-37-43(34)53(64)47(49-52(63)39-18-21-42-36(45(39)55(66)57(49)68)24-30-60(9,71-42)27-12-15-33(5)6)46(50(37)61)48-51(62)38-17-20-41-35(44(38)54(65)56(48)67)23-29-59(8,70-41)26-11-14-32(3)4/h13-24,28-30,67-68H,10-12,25-27H2,1-9H3/t58-,59-,60-/m1/s1", "name": "Conocurvone", "names": [ "Conocurvone" ] }, { "compound_id": "C10319", "inchi": "InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15-,16+,20+/m0/s1", "name": "Heliosupine", "names": [ "7-Angelyl-9-echimidinylheliotridine", "Heliosupine" ] }, { "compound_id": "C10320", "inchi": "InChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-12-13-20(27-17(2)23)15-18-14-19(24)16-21(26-3)22(18)25/h14,16,20H,4-13,15H2,1-3H3", "name": "Cornudentanone", "names": [ "Cornudentanone" ] }, { "compound_id": "C10321", "inchi": "InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8+/m0/s1", "name": "Heliotridine", "names": [ "Heliotridine" ] }, { "compound_id": "C10322", "inchi": "InChI=1S/C14H10O4/c1-6(2)9-4-8-11(15)10-7(3)5-17-14(10)12(16)13(8)18-9/h4-5H,1H2,2-3H3", "name": "Cyperaquinone", "names": [ "3-Methyl-6-prop-1-en-2-ylfuro(3,2-f(1)benzoxole-4,8-dione", "Cyperaquinone" ] }, { "compound_id": "C10323", "inchi": "InChI=1S/C16H12O5/c1-20-13-7-12(18)14-8-5-6-11(17)16(21-2)9(8)3-4-10(14)15(13)19/h3-7,17H,1-2H3", "name": "Cypripedin", "names": [ "Cypripedin" ] }, { "compound_id": "C10324", "inchi": "InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1", "name": "Heliotrine", "names": [ "9-Heliotrylheliotridine", "Heliotrine" ] }, { "compound_id": "C10325", "inchi": "InChI=1S/C15H14O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,9H,8H2,1-2H3", "name": "Deoxylapachol", "names": [ "Deoxylapachol" ] }, { "compound_id": "C10326", "inchi": "InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15+/m0/s1", "name": "Indicine", "names": [ "Indicine" ] }, { "compound_id": "C10327", "inchi": "InChI=1S/C15H10O4/c16-7-8-5-6-11-12(13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2", "name": "Digiferrugineol", "names": [ "1-Hydroxy-2-hydroxymethylanthraquinone", "Digiferrugineol" ] }, { "compound_id": "C10328", "inchi": "InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1", "name": "Integerrimine", "names": [ "Integerrimine" ] }, { "compound_id": "C10329", "inchi": "InChI=1S/C15H10O4/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6,16-17H,1H3", "name": "1,4-Dihydroxy-2-methylanthraquinone", "names": [ "1,4-Dihydroxy-2-methylanthraquinone" ] }, { "compound_id": "C10330", "inchi": "InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+/m1/s1", "name": "Intermedine", "names": [ "9-(+)-Trachelanthylretronecine", "Intermedine" ] }, { "compound_id": "C10331", "inchi": "InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3", "name": "2,6-Dimethoxybenzoquinone", "names": [ "2,6-Dimethoxybenzoquinone", "2,6-Dimetoxy-p-benzoquinone" ] }, { "compound_id": "C10332", "inchi": "InChI=1S/C22H14O6/c1-9-5-12-19(16(25)6-9)17(26)8-13(21(12)27)18-10(2)7-11-14(23)3-4-15(24)20(11)22(18)28/h3-8,25,28H,1-2H3", "name": "Diospyrin", "names": [ "Diospyrin" ] }, { "compound_id": "C10333", "inchi": "InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1", "name": "Isatidine", "names": [ "Isatidine", "Retrorsine N-oxide" ] }, { "compound_id": "C10334", "inchi": "InChI=1S/C18H12O9/c19-6-1-2-7(20)12-11(6)14(22)5-3-8-13(16(24)10(5)15(12)23)18(25)4-9(21)27-17(18)26-8/h1-3,9,17,19-21,24-25H,4H2/t9-,17+,18-/m1/s1", "name": "Dothistromin", "names": [ "Dothistromin" ] }, { "compound_id": "C10335", "inchi": "InChI=1S/C11H8O4/c1-5-9(13)6-3-2-4-7(12)8(6)11(15)10(5)14/h2-4,12,14H,1H3", "name": "Droserone", "names": [ "Droserone" ] }, { "compound_id": "C10336", "inchi": "InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)18)14(19)21-12-5-7-16-6-4-11(8-17)13(12)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10?,12-,13-,15-/m1/s1", "name": "Isolycopsamine", "names": [ "Isolycopsamine" ] }, { "compound_id": "C10337", "inchi": "InChI=1S/C15H14O3/c1-8-15(2,3)11-13(17)12(16)9-6-4-5-7-10(9)14(11)18-8/h4-8H,1-3H3", "name": "Dunnione", "names": [ "Dunnione" ] }, { "compound_id": "C10338", "inchi": "InChI=1S/C19H20O6/c1-10(2)5-8-16(25-11(3)20)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24-4/h5-7,9,16,23H,8H2,1-4H3/t16-/m0/s1", "name": "Echinone", "names": [ "6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-1,4-naphthalenedione", "Echinone" ] }, { "compound_id": "C10339", "inchi": "InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1", "name": "Jacobine", "names": [ "Jacobine" ] }, { "compound_id": "C10340", "inchi": "InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8-,9+/m0/s1", "name": "Eleutherin", "names": [ "Eleutherin" ] }, { "compound_id": "C10341", "inchi": "InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16+,17-,21+/m1/s1", "name": "Lasiocarpine", "names": [ "7-Angelyl-9-lasiocarpylheliotridine", "Lasiocarpine" ] }, { "compound_id": "C10342", "inchi": "InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3", "name": "Embelin", "names": [ "Embelin" ] }, { "compound_id": "C10343", "inchi": "InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3", "name": "Emodin", "names": [ "Emodin" ] }, { "compound_id": "C10344", "inchi": "InChI=1S/C20H27NO7/c1-5-11(2)17(22)28-15-7-9-21-8-6-14(16(15)21)10-26-19(24)20(25)12(3)18(23)27-13(20)4/h5-6,12-13,15-16,25H,7-10H2,1-4H3/b11-5-/t12-,13-,15-,16-,20+/m1/s1", "name": "Latifoline", "names": [ "(+)-Latifoline", "Latifoline" ] }, { "compound_id": "C10345", "inchi": "InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1", "name": "Emodin 8-glucoside", "names": [ "1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-9,10-anthraquinone", "Emodin 8-glucoside" ] }, { "compound_id": "C10346", "inchi": "InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1", "name": "Frangulin A", "names": [ "Frangulin A" ] }, { "compound_id": "C10347", "inchi": "InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10?,12-,13-,15+/m1/s1", "name": "Lycopsamine", "names": [ "9-Viridiflorylretronecine", "Lycopsamine" ] }, { "compound_id": "C10348", "inchi": "InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-11-5-4-6-14(11)7-12(10)15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11-,12+/m1/s1", "name": "Macrophylline", "names": [ "Macrophylline" ] }, { "compound_id": "C10349", "inchi": "InChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1", "name": "Frangulin B", "names": [ "Frangulin B" ] }, { "compound_id": "C10350", "inchi": "InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1", "name": "Monocrotaline", "names": [ "Monocrotaline" ] }, { "compound_id": "C10351", "inchi": "InChI=1S/C16H20O2/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11H,4,6,8H2,1-3H3/b13-7+", "name": "Geranylbenzoquinone", "names": [ "Geranylbenzoquinone" ] }, { "compound_id": "C10352", "inchi": "InChI=1S/C15H14O4/c1-7(2)9-5-12(17)11(6-16)13-10(9)4-8(3)14(18)15(13)19/h4-7,17H,1-3H3", "name": "Hibiscoquinone A", "names": [ "Hibiscoquinone A" ] }, { "compound_id": "C10353", "inchi": "InChI=1S/C18H27NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h11-13,15H,4-10H2,1-3H3/t11?,12-,13-,15-,17-,18-/m1/s1", "name": "Nemorensine", "names": [ "C(16a)-Homo-21-norsenecionan-11,16a-dione, 12,15-epoxy-1,2,15,20-tetrahydro-, (1alpha,12R,15R)-", "Nemorensine" ] }, { "compound_id": "C10354", "inchi": "InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2", "name": "2-Hydroxymethylanthraquinone", "names": [ "2-Hydroxymethylanthraquinone", "Anthraquinone-2-methanol" ] }, { "compound_id": "C10355", "inchi": "InChI=1S/C20H12O5/c21-14-5-1-3-11-10(7-8-16(23)18(11)14)13-9-17(24)19-12(20(13)25)4-2-6-15(19)22/h1-9,21-23H", "name": "Hypoxylone", "names": [ "Hypoxylone" ] }, { "compound_id": "C10356", "inchi": "InChI=1S/C9H15NO3/c1-10-4-2-7(6-11)9(13)8(12)3-5-10/h2,8,11-12H,3-6H2,1H3/b7-2-/t8-/m1/s1", "name": "Otonecine", "names": [ "1H-Pyrrolizinium, 2,3,5,7a-tetrahydro-1,7a-dihydroxy-7-(hydroxymethyl)-4-methyl-, (1R-(1alpha,4beta,7abeta))-", "Otonecine" ] }, { "compound_id": "C10357", "inchi": "InChI=1S/C22H33NO8/c1-12(2)21(27)10-17(24)30-14(5)22(28,13(3)4)20(26)29-11-15-6-8-23-9-7-16(18(15)23)31-19(21)25/h6,12-14,16,18,27-28H,7-11H2,1-5H3/t14?,16-,18-,21+,22+/m1/s1", "name": "Parsonsine", "names": [ "Parsonsine" ] }, { "compound_id": "C10358", "inchi": "InChI=1S/C22H14O6/c1-9-7-11-12(23)3-4-13(24)19(11)22(28)18(9)17-10(2)8-16(27)20-14(25)5-6-15(26)21(17)20/h3-8,27-28H,1-2H3", "name": "Isodiospyrin", "names": [ "Isodiospyrin" ] }, { "compound_id": "C10359", "inchi": "InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19-/m1/s1", "name": "Petasitenine", "names": [ "Petasitenine" ] }, { "compound_id": "C10360", "inchi": "InChI=1S/C20H18O5/c1-9(2)4-5-11-14(21)8-13-17(19(11)24)20(25)16-12(18(13)23)6-10(3)7-15(16)22/h4,6-8,21-22,24H,5H2,1-3H3", "name": "2-Isoprenylemodin", "names": [ "2-Isoprenylemodin" ] }, { "compound_id": "C10361", "inchi": "InChI=1S/C20H27NO5/c1-25-18(22)13-20(24,12-15-6-3-2-4-7-15)19(23)26-14-16-9-11-21-10-5-8-17(16)21/h2-4,6-7,16-17,24H,5,8-14H2,1H3/t16-,17+,20-/m1/s1", "name": "Phalaenopsine T", "names": [ "Phalaenopsine T" ] }, { "compound_id": "C10362", "inchi": "InChI=1S/C14H10O5/c1-6(15)10-5-8-12(17)7-3-2-4-9(16)11(7)13(18)14(8)19-10/h2-6,15-16H,1H3/t6-/m0/s1", "name": "Kigelinone", "names": [ "Kigelinone" ] }, { "compound_id": "C10363", "inchi": "InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1", "name": "Platyphylline", "names": [ "Platyphylline" ] }, { "compound_id": "C10364", "inchi": "InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1", "name": "Retrorsine", "names": [ "Retrorsine" ] }, { "compound_id": "C10365", "inchi": "InChI=1S/C24H18O8/c1-9-7-13(27)20-21(22(29)11-5-4-6-12(26)18(11)24(20)31)16(9)19-14(28)8-15(32-3)17(10(2)25)23(19)30/h4-8,26-28,30H,1-3H3", "name": "Knipholone", "names": [ "Knipholone" ] }, { "compound_id": "C10366", "inchi": "InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3", "name": "Lapachol", "names": [ "Lapachol" ] }, { "compound_id": "C10367", "inchi": "InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3", "name": "beta-Lapachone", "names": [ "beta-Lapachone" ] }, { "compound_id": "C10368", "inchi": "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H", "name": "Lawsone", "names": [ "Lawsone" ] }, { "compound_id": "C10369", "inchi": "InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2", "name": "Lucidin", "names": [ "Lucidin" ] }, { "compound_id": "C10370", "inchi": "InChI=1S/C16H12O5/c1-21-7-11-12(17)6-10-13(16(11)20)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,17,20H,7H2,1H3", "name": "Lucidin omega-methyl ether", "names": [ "2-(Methoxymethyl)-1,3-dihydroxyanthraquinone", "Lucidin omega-methyl ether" ] }, { "compound_id": "C10371", "inchi": "InChI=1S/C15H16O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h5-8H,1-4H3", "name": "Mansonone C", "names": [ "3,8-Dimethyl-5-isopropyl-1,2-naphthalenedione", "Mansonone C" ] }, { "compound_id": "C10372", "inchi": "InChI=1S/C16H16O4/c1-16(2)8-7-10-13(17)9-5-4-6-11(19-3)12(9)14(18)15(10)20-16/h4-6H,7-8H2,1-3H3", "name": "9-Methoxy-alpha-lapachone", "names": [ "9-Methoxy-alpha-lapachone" ] }, { "compound_id": "C10373", "inchi": "InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3", "name": "5-O-Methylembelin", "names": [ "5-O-Methylembelin" ] }, { "compound_id": "C10374", "inchi": "InChI=1S/C15H8O4/c16-13-8-3-1-2-4-9(8)14(17)12-10(13)5-6-11-15(12)19-7-18-11/h1-6H,7H2", "name": "Morindaparvin A", "names": [ "1,2-Methylenedioxyanthraquinone", "Morindaparvin A" ] }, { "compound_id": "C10375", "inchi": "InChI=1S/C18H23NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-/t14-,15-,18-/m1/s1", "name": "Riddelline", "names": [ "18-Hydroxyseneciphylline", "Riddelline" ] }, { "compound_id": "C10376", "inchi": "InChI=1S/C15H10O5/c1-6-2-3-7-10(12(6)17)13(18)8-4-5-9(16)15(20)11(8)14(7)19/h2-5,16-17,20H,1H3", "name": "Morindone", "names": [ "1,2,5-Trihydroxy-6-methyl-9,10-anthracenedione", "Morindone" ] }, { "compound_id": "C10377", "inchi": "InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1", "name": "Nanafrocin", "names": [ "(1S,3R)-Nanaomycin A", "Nanafrocin" ] }, { "compound_id": "C10378", "inchi": "InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13-,15+/m1/s1", "name": "Rinderine", "names": [ "9-(+)-Trachelanthylheliotridine", "Rinderine" ] }, { "compound_id": "C10379", "inchi": "InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3", "name": "Norobtusifolin", "names": [ "2-Hydroxychrysophanol", "Norobtusifolin" ] }, { "compound_id": "C10380", "inchi": "InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4-/t10-,12+,13-,14-,15-,18-/m1/s1", "name": "Rosmarinine", "names": [ "Rosmarinine", "Senecionan-11,16-dione, 1,2-dihydro-2,12-dihydroxy-, (1alpha,2alpha)-" ] }, { "compound_id": "C10381", "inchi": "InChI=1S/C22H22O10/c1-8-6-10-14(17(27)13-9(15(10)25)4-3-5-11(13)24)21(30-2)20(8)32-22-19(29)18(28)16(26)12(7-23)31-22/h3-6,12,16,18-19,22-24,26,28-29H,7H2,1-2H3/t12-,16-,18+,19-,22+/m1/s1", "name": "Obtusifolin 2-glucoside", "names": [ "Obtusifolin 2-glucoside" ] }, { "compound_id": "C10382", "inchi": "InChI=1S/C28H32O15/c1-9-3-11-17(13(30)4-9)22(34)18-12(19(11)31)5-10(39-2)6-14(18)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3/t15-,16-,20-,21-,23+,24+,25-,26-,27-,28-/m1/s1", "name": "Physcion 8-gentiobioside", "names": [ "Physcion 8-O-beta-D-gentiobioside", "Physcion 8-gentiobioside", "Physcion diglucoside" ] }, { "compound_id": "C10383", "inchi": "InChI=1S/C18H27NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-5,14-16,20H,6-11H2,1-3H3/b12-4-,13-5-/t14-,15-,16-/m1/s1", "name": "Sarracine", "names": [ "7-Angelyl-9-sarracinylplatynecine", "Sarracine" ] }, { "compound_id": "C10384", "inchi": "InChI=1S/C22H22O10/c1-8-3-10-16(19(27)15-11(17(10)25)5-9(30-2)6-12(15)24)13(4-8)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1", "name": "Physcion 8-glucoside", "names": [ "Physcion 8-O-beta-D-monoglucoside", "Physcion 8-glucoside" ] }, { "compound_id": "C10385", "inchi": "InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+", "name": "Plastoquinone-9", "names": [ "Plastoquinone A", "Plastoquinone-9" ] }, { "compound_id": "C10386", "inchi": "InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5-/t11-,15+,20-/m1/s1", "name": "Senaetnine", "names": [ "Senaetnine" ] }, { "compound_id": "C10387", "inchi": "InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3", "name": "Plumbagin", "names": [ "Plumbagin" ] }, { "compound_id": "C10388", "inchi": "InChI=1S/C25H31NO8/c1-7-16(5)24(29)34-20-12-21(33-17(6)27)26-10-9-19(23(20)26)14-32-25(30)18(8-2)13-31-22(28)11-15(3)4/h7-11,20-21H,12-14H2,1-6H3/b16-7+,18-8+/t20-,21+/m1/s1", "name": "Senampeline A", "names": [ "Senampeline A" ] }, { "compound_id": "C10389", "inchi": "InChI=1S/C11H12O2/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h3,5-7H,4H2,1-2H3", "name": "Prenylbenzoquinone", "names": [ "Prenylbenzoquinone" ] }, { "compound_id": "C10390", "inchi": "InChI=1S/C12H16O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8H,3-6H2,1-2H3", "name": "Primin", "names": [ "Primin" ] }, { "compound_id": "C10391", "inchi": "InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1", "name": "Seneciphylline", "names": [ "Seneciphylline" ] }, { "compound_id": "C10392", "inchi": "InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3", "name": "Pseudohypericin", "names": [ "Pseudohypericin" ] }, { "compound_id": "C10393", "inchi": "InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12+,14+,15+,18+/m0/s1", "name": "Senecivernine", "names": [ "21-Norsenecionan-11,16-dione, 12-hydroxy-14-methyl-, (12zeta,13zeta)-", "Senecivernine" ] }, { "compound_id": "C10394", "inchi": "InChI=1S/C15H8O7/c16-10-5-3-1-2-4-6(5)11(17)8-7(10)12(18)9(15(21)22)14(20)13(8)19/h1-4,18-20H,(H,21,22)", "name": "Pseudopurpurin", "names": [ "Pseudopurpurin" ] }, { "compound_id": "C10395", "inchi": "InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H", "name": "Purpurin", "names": [ "Purpurin" ] }, { "compound_id": "C10396", "inchi": "InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1", "name": "Senkirkine", "names": [ "Senkirkine" ] }, { "compound_id": "C10397", "inchi": "InChI=1S/C15H10O5/c1-20-15-10(17)6-9(16)11-12(15)14(19)8-5-3-2-4-7(8)13(11)18/h2-6,16-17H,1H3", "name": "Purpurin 1-methyl ether", "names": [ "Purpurin 1-methyl ether" ] }, { "compound_id": "C10398", "inchi": "InChI=1S/C11H8O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3", "name": "Ramentaceone", "names": [ "7-Methyljuglone", "Ramentaceone" ] }, { "compound_id": "C10399", "inchi": "InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3", "name": "Rapanone", "names": [ "Rapanone" ] }, { "compound_id": "C10400", "inchi": "InChI=1S/C8H13NO/c10-6-7-3-5-9-4-1-2-8(7)9/h3,8,10H,1-2,4-6H2/t8-/m0/s1", "name": "Supinidine", "names": [ "Supinidine" ] }, { "compound_id": "C10401", "inchi": "InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)", "name": "Rhein", "names": [ "Rhein" ] }, { "compound_id": "C10402", "inchi": "InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3", "name": "Rubiadin", "names": [ "Rubiadin" ] }, { "compound_id": "C10403", "inchi": "InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13+,15+/m1/s1", "name": "Supinine", "names": [ "Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (7aS-(7(2R*,3S*),7aR*))-", "Supinine" ] }, { "compound_id": "C10404", "inchi": "InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1", "name": "Sennoside A", "names": [ "Sennoside A" ] }, { "compound_id": "C10405", "inchi": "InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3", "name": "Tectoquinone", "names": [ "2-Methylanthraquinone", "Tectoquinone" ] }, { "compound_id": "C10406", "inchi": "InChI=1S/C13H10O8/c1-18-10-6(14)4-5(7(15)11(10)19-2)9(17)13-12(8(4)16)20-3-21-13/h16-17H,3H2,1-2H3", "name": "Tricrozarin A", "names": [ "Tricrozarin A" ] }, { "compound_id": "C10407", "inchi": "InChI=1S/C17H14O6/c1-6-7(2)15(20)13-12(14(6)19)16(21)9-4-8(23-3)5-10(18)11(9)17(13)22/h4-5,18-20H,1-3H3", "name": "Ventinone A", "names": [ "1,4,5-Trihydroxy-7-methoxy-2,3-dimethylanthraquinone", "Ventinone A" ] }, { "compound_id": "C10408", "inchi": "InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14?,16-,17-,20+/m1/s1", "name": "Symlandine", "names": [ "7-Angelyl-9-(-)-viridiflorylretronecine", "Symlandine" ] }, { "compound_id": "C10409", "inchi": "InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17-,20+/m1/s1", "name": "Symphytine", "names": [ "7-Tiglyl-9-(-)-viridiflorylretronecine", "Symphytine" ] }, { "compound_id": "C10410", "inchi": "InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5-/t15-,16-/m1/s1", "name": "Triangularine", "names": [ "6-Angelyl-9-sarracinylretronecine", "Triangularine" ] }, { "compound_id": "C10411", "inchi": "InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3/t7-,8+,10+/m0/s1", "name": "Tussilagine", "names": [ "Tussilagine" ] }, { "compound_id": "C10412", "inchi": "InChI=1S/C17H27NO7/c1-10(19)17(23,16(3,4)22)15(21)24-9-12-5-7-18-8-6-13(14(12)18)25-11(2)20/h5,10,13-14,19,22-23H,6-9H2,1-4H3/t10-,13+,14+,17-/m0/s1", "name": "Uplandicine", "names": [ "7-Acetyl-9-echimidinylretronecine", "Uplandicine" ] }, { "compound_id": "C10413", "inchi": "InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-/m1/s1", "name": "Usaramine", "names": [ "Mucronatine", "Usaramine" ] }, { "compound_id": "C10414", "inchi": "InChI=1S/C16H12O4/c1-19-15-9-14-12(7-13(15)17)11(8-16(18)20-14)10-5-3-2-4-6-10/h2-9,17H,1H3", "name": "Dalbergin", "names": [ "Dalbergin" ] }, { "compound_id": "C10415", "inchi": "InChI=1S/C15H12O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-5,10,16-19H,6H2", "name": "(+-)-Dalbergioidin", "names": [ "(+-)-Dalbergioidin" ] }, { "compound_id": "C10416", "inchi": "InChI=1S/C26H30O12/c1-26(2,35)17-4-9-3-10(12(28)6-15(9)37-17)11-8-36-24-18(20(11)31)13(29)5-14(30)19(24)25-23(34)22(33)21(32)16(7-27)38-25/h3,5-6,11,16-17,21-23,25,27-30,32-35H,4,7-8H2,1-2H3/t11?,16-,17?,21-,22+,23-,25+/m1/s1", "name": "Dalpanin", "names": [ "Dalpanin" ] }, { "compound_id": "C10417", "inchi": "InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1", "name": "Deguelin", "names": [ "Deguelin" ] }, { "compound_id": "C10418", "inchi": "InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-15-19(24)16(10-25-20(14)15)13-6-4-12(21)9-18(13)23/h3-4,6-9,16,21-23H,5,10H2,1-2H3", "name": "5-Deoxykievitone", "names": [ "(+-)-5-Deoxykievitone", "5-Deoxykievitone" ] }, { "compound_id": "C10419", "inchi": "InChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3", "name": "Ferreirin", "names": [ "2,3-Dihydro-5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one", "Ferreirin" ] }, { "compound_id": "C10420", "inchi": "InChI=1S/C21H20O10/c22-6-13-17(27)18(28)19(29)21(31-13)15-12(25)5-11(24)14-16(26)10(7-30-20(14)15)8-1-3-9(23)4-2-8/h1-5,7,13,17-19,21-25,27-29H,6H2/t13-,17-,18+,19-,21+/m1/s1", "name": "Genistein 8-C-glucoside", "names": [ "Genistein 8-C-glucoside" ] }, { "compound_id": "C10421", "inchi": "InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1", "name": "Glabridin", "names": [ "Glabridin" ] }, { "compound_id": "C10422", "inchi": "InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1", "name": "(-)-Glyceollin II", "names": [ "(-)-Glyceollin II" ] }, { "compound_id": "C10424", "inchi": "InChI=1S/C17H14O7/c1-20-13-2-8-11(4-10(13)18)21-6-17(19)9-3-14-15(23-7-22-14)5-12(9)24-16(8)17/h2-5,16,18-19H,6-7H2,1H3/t16-,17+/m0/s1", "name": "Hildecarpin", "names": [ "Hildecarpin" ] }, { "compound_id": "C10425", "inchi": "InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3/t17-/m0/s1", "name": "Hispaglabridin A", "names": [ "Hispaglabridin A" ] }, { "compound_id": "C10426", "inchi": "InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1", "name": "1'-Acetoxychavicol acetate", "names": [ "1'-Acetoxychavicol acetate" ] }, { "compound_id": "C10427", "inchi": "InChI=1S/C14H16O5/c1-5-12(18-9(2)15)11-6-7-13(19-10(3)16)14(8-11)17-4/h5-8,12H,1H2,2-4H3/t12-/m0/s1", "name": "1'-Acetoxyeugenol acetate", "names": [ "1'-Acetoxyeugenol acetate" ] }, { "compound_id": "C10428", "inchi": "InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+", "name": "Anethole", "names": [ "Anethole" ] }, { "compound_id": "C10429", "inchi": "InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3", "name": "Apiole", "names": [ "Apiole" ] }, { "compound_id": "C10430", "inchi": "InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-", "name": "beta-Asarone", "names": [ "(Z)-1-(2,4,5-Trimethoxyphenyl)-1-propene", "beta-Asarone", "cis-Asarone" ] }, { "compound_id": "C10431", "inchi": "InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1", "name": "Caffeic acid 3-glucoside", "names": [ "Caffeic acid 3-glucoside" ] }, { "compound_id": "C10432", "inchi": "InChI=1S/C16H18O8/c17-10-6-11(18)8-16(7-10,15(22)23)24-14(21)4-2-9-1-3-12(19)13(20)5-9/h1-5,10-11,17-20H,6-8H2,(H,22,23)/b4-2+/t10-,11-/m0/s1", "name": "1-Caffeoyl-4-deoxyquinic acid", "names": [ "1-Caffeoyl-4-deoxyquinic acid" ] }, { "compound_id": "C10433", "inchi": "InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1", "name": "1-Caffeoyl-beta-D-glucose", "names": [ "1-Caffeoyl-beta-D-glucose" ] }, { "compound_id": "C10434", "inchi": "InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1", "name": "5-O-Caffeoylshikimic acid", "names": [ "5-O-Caffeoylshikimic acid" ] }, { "compound_id": "C10435", "inchi": "InChI=1S/C11H12O3/c1-3-4-8-5-10-11(14-7-13-10)6-9(8)12-2/h3-6H,7H2,1-2H3/b4-3+", "name": "Carpacin", "names": [ "Carpacin" ] }, { "compound_id": "C10436", "inchi": "InChI=1S/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3/t19-,20+/m1/s1", "name": "Centrolobine", "names": [ "Centrolobine" ] }, { "compound_id": "C10437", "inchi": "InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1", "name": "Chicoric acid", "names": [ "Chicoric acid" ] }, { "compound_id": "C10438", "inchi": "InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+", "name": "Cinnamic acid", "names": [ "Benzeneacrylic acid", "Cinnamic acid" ] }, { "compound_id": "C10439", "inchi": "InChI=1S/C34H44O16/c1-17-30(49-23(37)12-9-18-5-3-2-4-6-18)31(50-33-27(41)24(38)21(36)15-45-33)29(43)34(47-17)46-16-22-25(39)26(40)28(42)32(48-22)44-14-13-19-7-10-20(35)11-8-19/h2-12,17,21-22,24-36,38-43H,13-16H2,1H3/b12-9+/t17-,21+,22+,24-,25+,26-,27+,28+,29+,30-,31?,32+,33?,34+/m0/s1", "name": "4'-Cinnamoylmussatioside", "names": [ "4'-Cinnamoylmussatioside" ] }, { "compound_id": "C10441", "inchi": "InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1", "name": "4-p-Coumaroylquinic acid", "names": [ "4-p-Coumaroylquinic acid" ] }, { "compound_id": "C10443", "inchi": "InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-", "name": "Curcumin", "names": [ "Curcumin", "Kacha haldi" ] }, { "compound_id": "C10444", "inchi": "InChI=1S/C16H17NO4/c1-20-13-8-6-12(11-14(13)21-2)7-9-16(19)17-10-4-3-5-15(17)18/h3,5-9,11H,4,10H2,1-2H3/b9-7+", "name": "3'-Demethoxypiplartine", "names": [ "3'-Demethoxypiplartine" ] }, { "compound_id": "C10445", "inchi": "InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1", "name": "1,3-Dicaffeoylquinic acid", "names": [ "1,3-Dicaffeoylquinic acid", "Cynarin" ] }, { "compound_id": "C10446", "inchi": "InChI=1S/C20H18O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h3-10,25-26H,1-2H3,(H,21,22)(H,23,24)/b5-3+,6-4+", "name": "Diferulic acid", "names": [ "Diferulic acid" ] }, { "compound_id": "C10447", "inchi": "InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)", "name": "3,4-Dihydroxyphenylpropanoate", "names": [ "3,4-Dihydroxyphenylpropanoate", "3,4-Dihydroxyphenylpropionic acid", "Dihydrocaffeic acid" ] }, { "compound_id": "C10448", "inchi": "InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3", "name": "Dihydroconiferyl alcohol", "names": [ "4-Hydroxy-3-methoxy-benzenepropanol", "Dihydroconiferyl alcohol" ] }, { "compound_id": "C10449", "inchi": "InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3", "name": "Dillapiole", "names": [ "Dillapiol", "Dillapiole" ] }, { "compound_id": "C10450", "inchi": "InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1", "name": "Echinacoside", "names": [ "Echinacoside" ] }, { "compound_id": "C10451", "inchi": "InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3", "name": "Elemicin", "names": [ "Elemicin" ] }, { "compound_id": "C10452", "inchi": "InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3", "name": "Estragole", "names": [ "1-Methoxy-4-(2-propenyl)benzene", "Estragole" ] }, { "compound_id": "C10453", "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3", "name": "Eugenol", "names": [ "Eugenol" ] }, { "compound_id": "C10454", "inchi": "InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3", "name": "Eugenol methyl ether", "names": [ "Eugenol methyl ether", "O-Methyleugenol" ] }, { "compound_id": "C10455", "inchi": "InChI=1S/C14H17NO3/c1-10(2)8-15-14(16)6-4-11-3-5-12-13(7-11)18-9-17-12/h3-7,10H,8-9H2,1-2H3,(H,15,16)/b6-4+", "name": "Fagaramide", "names": [ "Fagaramide" ] }, { "compound_id": "C10456", "inchi": "InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1", "name": "Forsythiaside", "names": [ "Forsythiaside" ] }, { "compound_id": "C10457", "inchi": "InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3", "name": "Homoferreirin", "names": [ "Homoferreirin" ] }, { "compound_id": "C10458", "inchi": "InChI=1S/C20H28O10/c1-2-3-11-4-6-12(7-5-11)29-18-16(24)15(23)14(22)13(30-18)8-27-19-17(25)20(26,9-21)10-28-19/h2,4-7,13-19,21-26H,1,3,8-10H2/t13-,14-,15+,16-,17+,18-,19-,20-/m1/s1", "name": "Furcatin", "names": [ "Furcatin" ] }, { "compound_id": "C10459", "inchi": "InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,20H,3-7,9,12H2,1-2H3", "name": "Gingerdione", "names": [ "Gingerdione", "[6]-Gingerdione" ] }, { "compound_id": "C10460", "inchi": "InChI=1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4+", "name": "Gingerenone A", "names": [ "Gingerenone A" ] }, { "compound_id": "C10461", "inchi": "InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-17-11(16(12)22-14(10)7-9)5-6-13(20-2)15(17)18/h3-7,12,16,18H,8H2,1-2H3/t12-,16-/m0/s1", "name": "4-Hydroxyhomopterocarpin", "names": [ "4-Hydroxyhomopterocarpin" ] }, { "compound_id": "C10462", "inchi": "InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1", "name": "[6]-Gingerol", "names": [ "(S)-(+)-[6]Gingerol", "6-Gingerol", "[6]-Gingerol" ] }, { "compound_id": "C10463", "inchi": "InChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-4-2-1-3-14(15)24)30-17(25)10-7-12-5-8-13(23)9-6-12/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14-,15?,16+,18+,19-,20+,21?/m0/s1", "name": "Grandidentatin", "names": [ "Grandidentatin" ] }, { "compound_id": "C10464", "inchi": "InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1", "name": "12a-Hydroxyrotenone", "names": [ "12a-Hydroxyrotenone" ] }, { "compound_id": "C10465", "inchi": "InChI=1S/C24H26O13/c1-32-13-5-9(4-11(26)22(13)33-2)10-8-35-12-6-14(23(34-3)19(29)16(12)17(10)27)36-24-21(31)20(30)18(28)15(7-25)37-24/h4-6,8,15,18,20-21,24-26,28-31H,7H2,1-3H3/t15-,18-,20+,21-,24-/m1/s1", "name": "Iridin", "names": [ "Iridin" ] }, { "compound_id": "C10466", "inchi": "InChI=1S/C29H36O17/c30-9-19-22(38)23(39)24(40)29(43-19)46-27-25(41)28(42-11-18(36)13-3-5-15(33)17(35)8-13)44-20(10-31)26(27)45-21(37)6-2-12-1-4-14(32)16(34)7-12/h1-8,18-20,22-36,38-41H,9-11H2/b6-2+/t18-,19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1", "name": "Hellicoside", "names": [ "Hellicoside" ] }, { "compound_id": "C10467", "inchi": "InChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2", "name": "Irilone", "names": [ "Irilone" ] }, { "compound_id": "C10468", "inchi": "InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1", "name": "Isochlorogenic acid b", "names": [ "Isochlorogenic acid b" ] }, { "compound_id": "C10469", "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+", "name": "Isoeugenol", "names": [ "Isoeugenol" ] }, { "compound_id": "C10470", "inchi": "InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+", "name": "Isoferulic acid", "names": [ "Isoferulic acid" ] }, { "compound_id": "C10471", "inchi": "InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)11-8-23-13-7-12(18)17(22-2)16(20)14(13)15(11)19/h3-8,18,20H,1-2H3", "name": "Irisolidone", "names": [ "Irisolidone" ] }, { "compound_id": "C10472", "inchi": "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+", "name": "Isosafrole", "names": [ "Isosafrole" ] }, { "compound_id": "C10473", "inchi": "InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1", "name": "Jionoside B1", "names": [ "Jionoside B1" ] }, { "compound_id": "C10474", "inchi": "InChI=1S/C21H30O10/c1-3-4-11-5-7-12(8-6-11)30-21-19(27)17(25)15(23)13(31-21)9-28-20-18(26)16(24)14(22)10(2)29-20/h3,5-8,10,13-27H,1,4,9H2,2H3/t10-,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1", "name": "Lusitanicoside", "names": [ "Lusitanicoside" ] }, { "compound_id": "C10475", "inchi": "InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+", "name": "p-Methoxycinnamaldehyde", "names": [ "4-Methoxycinnamaldehyde", "p-Methoxycinnamaldehyde" ] }, { "compound_id": "C10476", "inchi": "InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+", "name": "p-Methoxycinnamic acid ethyl ester", "names": [ "Ethyl p-methoxycinnamate", "p-Methoxycinnamic acid ethyl ester" ] }, { "compound_id": "C10477", "inchi": "InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+", "name": "Methyl caffeate", "names": [ "Methyl caffeate" ] }, { "compound_id": "C10478", "inchi": "InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+", "name": "Methylisoeugenol", "names": [ "Isomethyleugenol", "Methylisoeugenol", "trans-Methylisoeugenol" ] }, { "compound_id": "C10479", "inchi": "InChI=1S/C34H44O19/c1-15-24(42)28(52-33-30(45)34(46,13-36)14-48-33)25(43)32(49-15)53-29-26(44)31(47-9-8-17-3-6-19(38)21(40)11-17)50-22(12-35)27(29)51-23(41)7-4-16-2-5-18(37)20(39)10-16/h2-7,10-11,15,22,24-33,35-40,42-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28?,29+,30-,31+,32-,33?,34+/m0/s1", "name": "Myricoside", "names": [ "Myricoside" ] }, { "compound_id": "C10480", "inchi": "InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3", "name": "Myristicin", "names": [ "Myristicin" ] }, { "compound_id": "C10481", "inchi": "InChI=1S/C29H34O15/c1-12-22(36)23(37)24(38)28(40-12)44-26-25(43-21(35)7-3-13-2-5-15(31)17(33)8-13)19(10-30)42-29-27(26)41-20(11-39-29)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-34,36-38H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25+,26-,27+,28?,29+/m0/s1", "name": "Orobanchoside", "names": [ "Crenatoside", "Orobanchoside" ] }, { "compound_id": "C10482", "inchi": "InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3", "name": "6-Paradol", "names": [ "3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-", "6-Paradol" ] }, { "compound_id": "C10483", "inchi": "InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1", "name": "Phaseolic acid", "names": [ "Phaseolic acid" ] }, { "compound_id": "C10484", "inchi": "InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+", "name": "Phenethyl caffeate", "names": [ "Caffeic acid phenethyl ester", "Phenethyl caffeate" ] }, { "compound_id": "C10485", "inchi": "InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1", "name": "Plantamajoside", "names": [ "Plantamajoside" ] }, { "compound_id": "C10486", "inchi": "InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3", "name": "Licoisoflavone A", "names": [ "2',4',5,7-Tetrahydroxy-3'-(3,3-dimethylallyl)isoflavone", "Licoisoflavone A" ] }, { "compound_id": "C10487", "inchi": "InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+", "name": "Prenyl caffeate", "names": [ "Prenyl caffeate" ] }, { "compound_id": "C10488", "inchi": "InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1", "name": "Purpureaside C", "names": [ "Purpureaside C" ] }, { "compound_id": "C10490", "inchi": "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2", "name": "Safrole", "names": [ "Safrole" ] }, { "compound_id": "C10491", "inchi": "InChI=1S/C27H28O6/c1-15(2)7-12-18-23-19(13-14-27(3,4)33-23)24(31-6)21-22(28)20(26(29)32-25(18)21)16-8-10-17(30-5)11-9-16/h7-11,13-14,28H,12H2,1-6H3", "name": "Lonchocarpenin", "names": [ "Lonchocarpenin" ] }, { "compound_id": "C10492", "inchi": "InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1", "name": "Salvianolic acid A", "names": [ "Salvianolic acid A" ] }, { "compound_id": "C10493", "inchi": "InChI=1S/C11H12O3/c1-3-4-8-5-10-11(14-7-13-10)6-9(8)12-2/h3,5-6H,1,4,7H2,2H3", "name": "Sarisan", "names": [ "Sarisan" ] }, { "compound_id": "C10494", "inchi": "InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+", "name": "[6]-Shogaol", "names": [ "[6]-Shogaol" ] }, { "compound_id": "C10495", "inchi": "InChI=1S/C17H18O5/c1-20-12-7-16(21-2)14-5-10(9-22-17(14)8-12)13-4-3-11(18)6-15(13)19/h3-4,6-8,10,18-19H,5,9H2,1-2H3", "name": "Lotisoflavan", "names": [ "Lotisoflavan" ] }, { "compound_id": "C10496", "inchi": "InChI=1S/C11H10O5/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-5,12H,6H2,(H,13,14)(H,15,16)/b8-5+", "name": "Sphagnum acid", "names": [ "Sphagnum acid" ] }, { "compound_id": "C10497", "inchi": "InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+", "name": "Feruloylputrescine", "names": [ "Feruloylputrescine", "Subaphyllin" ] }, { "compound_id": "C10498", "inchi": "InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3", "name": "Luteone", "names": [ "Luteone" ] }, { "compound_id": "C10499", "inchi": "InChI=1S/C29H36O16/c1-12-22(36)23(37)25(39)28(43-12)42-11-20-27(45-21(35)7-3-13-2-5-15(30)17(32)8-13)24(38)26(40)29(44-20)41-10-19(34)14-4-6-16(31)18(33)9-14/h2-9,12,19-20,22-34,36-40H,10-11H2,1H3/b7-3+/t12-,19?,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1", "name": "Suspensaside", "names": [ "Suspensaside" ] }, { "compound_id": "C10500", "inchi": "InChI=1S/C43H36O18/c44-27-9-1-23(17-31(27)48)5-13-37(52)58-35-21-43(42(56)57,61-40(55)16-8-26-4-12-30(47)34(51)20-26)22-36(59-38(53)14-6-24-2-10-28(45)32(49)18-24)41(35)60-39(54)15-7-25-3-11-29(46)33(50)19-25/h1-20,35-36,41,44-51H,21-22H2,(H,56,57)/b13-5+,14-6+,15-7+,16-8+/t35-,36-,41-,43+/m1/s1", "name": "1,3,4,5-Tetracaffeoylquinic acid", "names": [ "1,3,4,5-Tetracaffeoylquinic acid" ] }, { "compound_id": "C10501", "inchi": "InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1", "name": "Verbascoside", "names": [ "Acteoside", "Verbascoside" ] }, { "compound_id": "C10502", "inchi": "InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m0/s1", "name": "(-)-Maackiain", "names": [ "(-)-Maackiain", "Inermin" ] }, { "compound_id": "C10503", "inchi": "InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1", "name": "(-)-Medicarpin", "names": [ "(-)-Medicarpin" ] }, { "compound_id": "C10504", "inchi": "InChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3", "name": "Melannin", "names": [ "Melannin" ] }, { "compound_id": "C10505", "inchi": "InChI=1S/C16H14O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12H,1H2,2H3/t12-/m1/s1", "name": "(R)-4-Methoxydalbergione", "names": [ "(R)-4-Methoxydalbergione" ] }, { "compound_id": "C10506", "inchi": "InChI=1S/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3/t18-,19+/m1/s1", "name": "Millettone", "names": [ "Millettone" ] }, { "compound_id": "C10507", "inchi": "InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m1/s1", "name": "Mucronulatol", "names": [ "Mucronulatol" ] }, { "compound_id": "C10508", "inchi": "InChI=1S/C16H14O5/c1-19-16-12(18)5-4-9-11-7-20-13-6-8(17)2-3-10(13)14(11)21-15(9)16/h2-6,11,14,17-18H,7H2,1H3/t11-,14-/m0/s1", "name": "(-)-Nissolin", "names": [ "(-)-Nissolin" ] }, { "compound_id": "C10509", "inchi": "InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1", "name": "Ononin", "names": [ "Formononetin 7-O-glucoside", "Ononin" ] }, { "compound_id": "C10510", "inchi": "InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H", "name": "Orobol", "names": [ "Orobol" ] }, { "compound_id": "C10511", "inchi": "InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3", "name": "Osajin", "names": [ "Osajin" ] }, { "compound_id": "C10512", "inchi": "InChI=1S/C20H14O7/c1-22-20-18-9(2-3-23-18)4-11-17(21)16-10-5-13-14(26-8-25-13)6-12(10)24-7-15(16)27-19(11)20/h2-6,15-16H,7-8H2,1H3/t15-,16+/m1/s1", "name": "Pachyrrhizone", "names": [ "Pachyrrhizone" ] }, { "compound_id": "C10513", "inchi": "InChI=1S/C27H30O15/c28-5-11-17(32)21(36)23(38)26(41-11)14-19(34)13-16(31)10(8-1-3-9(30)4-2-8)7-40-25(13)15(20(14)35)27-24(39)22(37)18(33)12(6-29)42-27/h1-4,7,11-12,17-18,21-24,26-30,32-39H,5-6H2/t11-,12-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1", "name": "Paniculatin", "names": [ "Paniculatin" ] }, { "compound_id": "C10514", "inchi": "InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1", "name": "(-)-Phaseollin", "names": [ "(-)-Phaseollin", "Phaseolin" ] }, { "compound_id": "C10515", "inchi": "InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1", "name": "(-)-Phaseollinisoflavan", "names": [ "(-)-Phaseollinisoflavan" ] }, { "compound_id": "C10516", "inchi": "InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1", "name": "Pisatin", "names": [ "Pisatin" ] }, { "compound_id": "C10517", "inchi": "InChI=1S/C9H19O11P/c10-1-4(3-18-21(15,16)17)19-9-8(14)7(13)6(12)5(2-11)20-9/h4-14H,1-3H2,(H2,15,16,17)/t4-,5+,6+,7-,8+,9+/m0/s1", "name": "2-(beta-D-Glucosyl)-sn-glycerol 3-phosphate", "names": [ "2-(beta-D-Glucosyl)-sn-glycerol 3-phosphate" ] }, { "compound_id": "C10518", "inchi": "InChI=1S/C26H29NO6/c1-13(2)6-8-16-21(17(9-7-14(3)4)26(32-5)23(27)25(16)31)18-12-33-20-11-15(28)10-19(29)22(20)24(18)30/h6-7,10-12,28-29,31H,8-9,27H2,1-5H3", "name": "Piscerythramine", "names": [ "Piscerythramine" ] }, { "compound_id": "C10519", "inchi": "InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3", "name": "Pomiferin", "names": [ "Pomiferin" ] }, { "compound_id": "C10520", "inchi": "InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3", "name": "Pratensein", "names": [ "Pratensein" ] }, { "compound_id": "C10521", "inchi": "InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3", "name": "Prunetin", "names": [ "Prunetin" ] }, { "compound_id": "C10522", "inchi": "InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2", "name": "Pseudobaptigenin", "names": [ "Pseudobaptigenin" ] }, { "compound_id": "C10523", "inchi": "InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3", "name": "Psoralidin", "names": [ "Psoralidin" ] }, { "compound_id": "C10524", "inchi": "InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1", "name": "Puerarin", "names": [ "Puerarin" ] }, { "compound_id": "C10525", "inchi": "InChI=1S/C23H18O7/c1-10(2)15-8-13-14(28-15)6-5-11-20(24)19-12-7-17(26-3)18(27-4)9-16(12)29-23(25)22(19)30-21(11)13/h5-7,9,15H,1,8H2,2-4H3/t15-/m1/s1", "name": "Rotenonone", "names": [ "Rotenonone" ] }, { "compound_id": "C10526", "inchi": "InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1", "name": "(-)-Sativan", "names": [ "(-)-Sativan" ] }, { "compound_id": "C10527", "inchi": "InChI=1S/C17H14O5/c1-20-11-4-5-12-15(8-11)22-9-13(17(12)19)10-3-6-14(18)16(7-10)21-2/h3-9,18H,1-2H3", "name": "Sayanedine", "names": [ "Sayanedine" ] }, { "compound_id": "C10528", "inchi": "InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-5,10-11,13-16H,6H2,(H,17,18)(H2,19,20,21)/b9-5-/t10-,11+/m1/s1", "name": "1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate", "names": [ "1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate" ] }, { "compound_id": "C10529", "inchi": "InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3", "name": "Sojagol", "names": [ "Sojagol" ] }, { "compound_id": "C10530", "inchi": "InChI=1S/C21H22O6/c1-11(2)4-5-14-16(23)7-6-13(21(14)26-3)15-10-27-18-9-12(22)8-17(24)19(18)20(15)25/h4,6-9,15,22-24H,5,10H2,1-3H3", "name": "Sophoraisoflavanone A", "names": [ "Sophoraisoflavanone A" ] }, { "compound_id": "C10531", "inchi": "InChI=1S/C17H16O5/c1-19-15-6-11-13(7-16(15)20-2)21-8-12-10-4-3-9(18)5-14(10)22-17(11)12/h3-7,12,17-18H,8H2,1-2H3/t12-,17-/m0/s1", "name": "(-)-Sparticarpin", "names": [ "(-)-Sparticarpin" ] }, { "compound_id": "C10532", "inchi": "InChI=1S/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1", "name": "Sumatrol", "names": [ "Sumatrol" ] }, { "compound_id": "C10533", "inchi": "InChI=1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1", "name": "Tectoridin", "names": [ "Shekanin", "Tectoridin" ] }, { "compound_id": "C10534", "inchi": "InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3", "name": "Tectorigenin", "names": [ "Tectorigenin" ] }, { "compound_id": "C10535", "inchi": "InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1", "name": "Tephrosin", "names": [ "Tephrosin" ] }, { "compound_id": "C10536", "inchi": "InChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)12-8-21-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,17-18H,1H3", "name": "Texasin", "names": [ "6,7-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone", "Texasin" ] }, { "compound_id": "C10537", "inchi": "InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1", "name": "Toxicarol", "names": [ "Toxicarol", "alpha-Toxicarol" ] }, { "compound_id": "C10538", "inchi": "InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1", "name": "Trifolirhizin", "names": [ "(-)-Maackiain 3-O-glucoside", "Trifolirhizin" ] }, { "compound_id": "C10539", "inchi": "InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3/t16-,17+/m1/s1", "name": "(-)-Variabilin", "names": [ "(-)-Variabilin" ] }, { "compound_id": "C10540", "inchi": "InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m1/s1", "name": "Vestitol", "names": [ "Vestitol" ] }, { "compound_id": "C10541", "inchi": "InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3", "name": "Wedelolactone", "names": [ "Wedelolactone" ] }, { "compound_id": "C10542", "inchi": "InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3", "name": "Wighteone", "names": [ "Wighteone" ] }, { "compound_id": "C10543", "inchi": "InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1", "name": "Acanthoside D", "names": [ "(-)-Syringaresinol di-beta-D-glucoside", "Acanthoside D" ] }, { "compound_id": "C10544", "inchi": "InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3/t15-,20-,21-,22-/m1/s1", "name": "1-Acetoxypinoresinol", "names": [ "1-Acetoxypinoresinol" ] }, { "compound_id": "C10545", "inchi": "InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1", "name": "(-)-Arctigenin", "names": [ "(-)-Arctigenin" ] }, { "compound_id": "C10546", "inchi": "InChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18+,19-/m0/s1", "name": "Austrobailignan 1", "names": [ "Austrobailignan 1" ] }, { "compound_id": "C10547", "inchi": "InChI=1S/C22H26O6/c1-23-20-9-15(10-21(24-2)22(20)25-3)7-17-12-26-11-16(17)6-14-4-5-18-19(8-14)28-13-27-18/h4-5,8-10,16-17H,6-7,11-13H2,1-3H3/t16-,17-/m1/s1", "name": "Burseran", "names": [ "(+)-Burseran", "Burseran" ] }, { "compound_id": "C10548", "inchi": "InChI=1S/C28H28O11/c1-31-18-8-14-15(9-19(18)32-2)25(39-28-24(29)26(34-4)21(33-3)11-36-28)16-10-35-27(30)23(16)22(14)13-5-6-17-20(7-13)38-12-37-17/h5-9,21,24,26,28-29H,10-12H2,1-4H3/t21-,24-,26+,28?/m1/s1", "name": "Cleistanthin A", "names": [ "Cleistanthin A" ] }, { "compound_id": "C10549", "inchi": "InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1", "name": "Cubebin", "names": [ "Cubebin" ] }, { "compound_id": "C10550", "inchi": "InChI=1S/C20H22O4/c1-5-7-13-9-15(19(21)17(11-13)23-3)16-10-14(8-6-2)12-18(24-4)20(16)22/h5-6,9-12,21-22H,1-2,7-8H2,3-4H3", "name": "Dehydrodieugenol", "names": [ "Dehydrodieugenol" ] }, { "compound_id": "C10551", "inchi": "InChI=1S/C21H20O6/c1-23-15-4-3-11(6-16(15)24-2)19-14-8-18-17(26-10-27-18)7-12(14)5-13-9-25-21(22)20(13)19/h3-4,6-8,13,19-20H,5,9-10H2,1-2H3/t13-,19+,20-/m0/s1", "name": "5'-Demethoxydeoxypodophyllotoxin", "names": [ "5'-Demethoxydeoxypodophyllotoxin" ] }, { "compound_id": "C10552", "inchi": "InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1", "name": "4'-Demethyldeoxypodophyllotoxin", "names": [ "4'-Demethyldeoxypodophyllotoxin" ] }, { "compound_id": "C10553", "inchi": "InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19-/m0/s1", "name": "4'-Demethylpodophyllotoxin", "names": [ "4'-Demethylpodophyllotoxin" ] }, { "compound_id": "C10554", "inchi": "InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21-/m1/s1", "name": "Denudatin B", "names": [ "Denudatin B" ] }, { "compound_id": "C10555", "inchi": "InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1", "name": "Deoxygomisin A", "names": [ "(+)-gamma-Schizandrin", "Deoxygomisin A" ] }, { "compound_id": "C10556", "inchi": "InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1", "name": "Deoxypodophyllotoxin", "names": [ "Deoxypodophyllotoxin" ] }, { "compound_id": "C10557", "inchi": "InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1", "name": "Dihydroanhydropodorhizol", "names": [ "Dihydroanhydropodorhizol" ] }, { "compound_id": "C10558", "inchi": "InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1", "name": "Dihydrocubebin", "names": [ "Dihydrocubebin" ] }, { "compound_id": "C10559", "inchi": "InChI=1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3", "name": "Diphyllin", "names": [ "Diphyllin" ] }, { "compound_id": "C10560", "inchi": "InChI=1S/C27H34O12/c1-33-17-6-12(4-5-16(17)29)24-14-10-37-25(15(14)11-36-24)13-7-18(34-2)26(19(8-13)35-3)39-27-23(32)22(31)21(30)20(9-28)38-27/h4-8,14-15,20-25,27-32H,9-11H2,1-3H3/t14-,15-,20+,21+,22-,23+,24+,25+,27-/m0/s1", "name": "Eucommin A", "names": [ "Eucommin A", "Medioresinol 4'-O-beta-D-glucopyranoside" ] }, { "compound_id": "C10561", "inchi": "InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1", "name": "(+)-Eudesmin", "names": [ "(+)-Eudesmin", "Pinoresinol dimethyl ether" ] }, { "compound_id": "C10562", "inchi": "InChI=1S/C33H44O4/c1-7-10-23-12-14-26(15-13-23)36-27-20-24(11-8-2)21-28(30(27)34)37-33(6)18-9-17-32(5)19-16-25(22-29(32)33)31(3,4)35/h7-8,12-15,20-21,25,29,34-35H,1-2,9-11,16-19,22H2,3-6H3/t25-,29-,32-,33-/m1/s1", "name": "Eudesobovatol A", "names": [ "Eudesobovatol A" ] }, { "compound_id": "C10563", "inchi": "InChI=1S/C21H24O6/c1-5-6-14-15(22)10-18(23-3)21(24-4)12(2)19(27-20(14)21)13-7-8-16-17(9-13)26-11-25-16/h5,7-10,12,14,19-20H,1,6,11H2,2-4H3/t12-,14-,19+,20+,21+/m1/s1", "name": "Fargesone A", "names": [ "Fargesone A" ] }, { "compound_id": "C10564", "inchi": "InChI=1S/C20H28N2O4/c1-14-17(22-20(21-14)7-5-6-12-26-15(2)23)10-8-16-9-11-18(24-3)19(13-16)25-4/h9,11,13H,5-8,10,12H2,1-4H3,(H,21,22)", "name": "O-Acetylcypholophine", "names": [ "O-Acetylcypholophine" ] }, { "compound_id": "C10565", "inchi": "InChI=1S/C18H22ClNO6/c1-24-10-6-12(22)18(14(10)23)11(19)8-17-15(26-3)13(25-2)9(21)7-16(17,18)4-5-20-17/h6,11,14,20,23H,4-5,7-8H2,1-3H3/t11-,14+,16+,17+,18+/m0/s1", "name": "Acutumidine", "names": [ "Acutumidine" ] }, { "compound_id": "C10566", "inchi": "InChI=1S/C12H19N3O/c1-9(2)10-8-14-7-6-12(3,4)13-11(14)15(10)16-5/h6-7,10H,1,8H2,2-5H3/t10-/m0/s1", "name": "Alchorneine", "names": [ "Alchorneine" ] }, { "compound_id": "C10567", "inchi": "InChI=1S/C11H17N3O/c1-7(2)8-6-14-9(15)5-11(3,4)13-10(14)12-8/h8H,1,5-6H2,2-4H3,(H,12,13)", "name": "Alchornine", "names": [ "Alchornine" ] }, { "compound_id": "C10568", "inchi": "InChI=1/C15H15N3O/c1-18-9-14(17-10-18)13-8-16-15(19)12(13)7-11-5-3-2-4-6-11/h2-7,9-10,13H,8H2,1H3,(H,16,19)/b12-7+/t13-/m1/s1/f/h16H", "name": "Anantine", "names": [ "Anantine" ] }, { "compound_id": "C10569", "inchi": "InChI=1S/C21H25NO5/c1-22-8-7-21-11-17(26-3)15(23)10-13(21)14(22)6-5-12-9-16(25-2)19(24)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1", "name": "Androcymbine", "names": [ "Androcymbine" ] }, { "compound_id": "C10570", "inchi": "InChI=1S/C20H19NO4/c1-22-16-8-6-15(7-9-16)19-13-21-20(25-19)11-5-14-4-10-17(23-2)18(12-14)24-3/h4-13H,1-3H3/b11-5+", "name": "Annuloline", "names": [ "Annuloline" ] }, { "compound_id": "C10571", "inchi": "InChI=1S/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3", "name": "Aspergillic acid", "names": [ "Aspergillic acid" ] }, { "compound_id": "C10572", "inchi": "InChI=1S/C17H15NO3/c1-19-14-9-8-13(10-15(14)20-2)16-11-18-17(21-16)12-6-4-3-5-7-12/h3-11H,1-2H3", "name": "Balsoxine", "names": [ "2-Phenyl-5-(3,4-dimethoxyphenyl)oxazole", "Balsoxine" ] }, { "compound_id": "C10573", "inchi": "InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1", "name": "Calycanthine", "names": [ "Calycanthine" ] }, { "compound_id": "C10574", "inchi": "InChI=1S/C21H22O5/c1-5-6-16-12-21(24-4,20(23-3)11-17(16)22)14(2)9-15-7-8-18-19(10-15)26-13-25-18/h5,7-12H,1,6,13H2,2-4H3/b14-9+", "name": "Futoquinol", "names": [ "Futoquinol" ] }, { "compound_id": "C10575", "inchi": "InChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1", "name": "Candicine", "names": [ "Ammonium, (p-hydroxyphenethyl)trimethyl-", "Candicine" ] }, { "compound_id": "C10576", "inchi": "InChI=1S/C21H39N3O3/c1-2-3-4-11-19(25)21(27)18-10-7-9-17-16-20(26)23-14-6-5-12-22-13-8-15-24(17)18/h7,10,17-19,21-22,25,27H,2-6,8-9,11-16H2,1H3,(H,23,26)/t17-,18-,19+,21-/m0/s1", "name": "Cannabisativine", "names": [ "Cannabisativine" ] }, { "compound_id": "C10577", "inchi": "InChI=1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+/t16-,18-,19+,20-,21-/m1/s1", "name": "Casimiroedine", "names": [ "Casimiroedine" ] }, { "compound_id": "C10578", "inchi": "InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)/t21-/m0/s1", "name": "Celabenzine", "names": [ "Celabenzine" ] }, { "compound_id": "C10579", "inchi": "InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36?,38-,43+,44-,45+/m0/s1", "name": "Cephalomannine", "names": [ "Cephalomannine", "Taxol B" ] }, { "compound_id": "C10580", "inchi": "InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1", "name": "Cephalotaxine", "names": [ "Cephalotaxine" ] }, { "compound_id": "C10581", "inchi": "InChI=1S/C10H11NO3/c1-5-8(12)3-6-7(9(5)14-2)4-11-10(6)13/h3,12H,4H2,1-2H3,(H,11,13)", "name": "Cichorine", "names": [ "Cichorine" ] }, { "compound_id": "C10582", "inchi": "InChI=1S/C26H31N3O5/c1-33-24-18-20-6-10-22(24)34-23-17-19(5-9-21(23)30)7-11-26(32)29-16-4-14-27-13-2-3-15-28-25(31)12-8-20/h5-12,17-18,27,30H,2-4,13-16H2,1H3,(H,28,31)(H,29,32)/b11-7+,12-8+", "name": "Codonocarpine", "names": [ "Codonocarpine" ] }, { "compound_id": "C10583", "inchi": "InChI=1S/C14H9NO3/c16-14-10-6-13-12(17-7-18-13)5-9(10)8-3-1-2-4-11(8)15-14/h1-6H,7H2,(H,15,16)", "name": "Crinasiadine", "names": [ "Crinasiadine" ] }, { "compound_id": "C10584", "inchi": "InChI=1S/C22H17NO4/c24-14-7-5-13(6-8-14)9-15-12-26-20-10-17-16-3-1-2-4-19(16)23-22(25)18(17)11-21(20)27-15/h1-8,10-11,15,24H,9,12H2,(H,23,25)", "name": "Crinasiatine", "names": [ "Crinasiatine" ] }, { "compound_id": "C10585", "inchi": "InChI=1S/C26H29NO5/c1-30-24-13-18-17-12-23(21-5-3-4-10-27(21)15-17)32-26(29)9-7-16-6-8-22(28)20(11-16)19(18)14-25(24)31-2/h6-9,11,13-14,17,21,23,28H,3-5,10,12,15H2,1-2H3/b9-7-/t17-,21-,23-/m1/s1", "name": "Cryogenine", "names": [ "Cryogenine", "Lythran-12-one, 4'',5''-dimethoxy-2'-hydroxy-, (10-alpha)-", "Vertine" ] }, { "compound_id": "C10586", "inchi": "InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1", "name": "Cryptopleurine", "names": [ "Cryptopleurine" ] }, { "compound_id": "C10587", "inchi": "InChI=1S/C16H19N3O2/c1-18-9-13(17-10-18)12-8-19(2)16(21)14(12)15(20)11-6-4-3-5-7-11/h3-7,9-10,12,14-15,20H,8H2,1-2H3/t12-,14+,15+/m0/s1", "name": "Cynometrine", "names": [ "Cynometrine" ] }, { "compound_id": "C10588", "inchi": "InChI=1S/C10H13NO3/c1-11-9-7(10(12)14-3)5-4-6-8(9)13-2/h4-6,11H,1-3H3", "name": "Damascenine", "names": [ "Damascenine" ] }, { "compound_id": "C10589", "inchi": "InChI=1S/C26H31NO5/c1-29-24-15-21-22-14-20(13-18-5-3-4-12-27(18)22)32-26(28)11-8-17-6-9-19(10-7-17)31-23(21)16-25(24)30-2/h6-7,9-10,15-16,18,20,22H,3-5,8,11-14H2,1-2H3/t18-,20-,22-/m0/s1", "name": "Decaline", "names": [ "Decalin", "Decaline" ] }, { "compound_id": "C10590", "inchi": "InChI=1S/C17H21N3/c1-2-5-14-12(4-1)13-7-11-20-15(17(13)18-14)8-10-19-9-3-6-16(19)20/h1-2,4-5,15-16,18H,3,6-11H2/t15-,16-/m0/s1", "name": "Elaeocarpidine", "names": [ "Elaeocarpidine" ] }, { "compound_id": "C10591", "inchi": "InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13-,15-/m1/s1", "name": "(+)-Elaeocarpine", "names": [ "(+)-Elaeocarpine" ] }, { "compound_id": "C10592", "inchi": "InChI=1S/C12H21NO2/c1-2-4-10(14)12-9-5-3-7-13(9)8-6-11(12)15/h9,11-12,15H,2-8H2,1H3/t9-,11+,12+/m1/s1", "name": "Elaeokanine C", "names": [ "Elaeokanine C" ] }, { "compound_id": "C10593", "inchi": "InChI=1S/C20H22N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3-6,9-10,13-16,25-26H,7-8H2,1-2H3/t9-,10-,13+,14+,15+,16+,19-,20-/m0/s1", "name": "Exserohilone", "names": [ "Exserohilone" ] }, { "compound_id": "C10594", "inchi": "InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3", "name": "Ficine", "names": [ "4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl-, (-)-", "Ficine" ] }, { "compound_id": "C10595", "inchi": "InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1", "name": "Glitoxin", "names": [ "Glitoxin" ] }, { "compound_id": "C10596", "inchi": "InChI=1S/C14H10N2O2/c17-12-5-3-10(4-6-12)13-9-16-14(18-13)11-2-1-7-15-8-11/h1-9,17H", "name": "Halfordinol", "names": [ "Halfordinol" ] }, { "compound_id": "C10597", "inchi": "InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28-/m1/s1", "name": "Harringtonine", "names": [ "Harringtonine" ] }, { "compound_id": "C10598", "inchi": "InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16-,17+,18+,19-,20+,21-/m1/s1", "name": "Himbacine", "names": [ "Himbacine" ] }, { "compound_id": "C10599", "inchi": "InChI=1S/C30H42N4O2/c1-31-17-11-21-33(29(35)23-27(31)25-13-5-3-6-14-25)19-9-10-20-34-22-12-18-32(2)28(24-30(34)36)26-15-7-4-8-16-26/h3-8,13-16,27-28H,9-12,17-24H2,1-2H3/t27-,28-/m0/s1", "name": "Homaline", "names": [ "Homaline" ] }, { "compound_id": "C10600", "inchi": "InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)", "name": "Ibotenic acid", "names": [ "Ibotenic acid" ] }, { "compound_id": "C10601", "inchi": "InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)11-17-19(20(18)24)15(23)10-16(25-17)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22,24H,5,8-9H2,1H3", "name": "Isoficine", "names": [ "4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-", "Isoficine" ] }, { "compound_id": "C10602", "inchi": "InChI=1S/C20H17NO7/c1-8-6-11(21-20(8)27)14-12(23)7-13(24)15-16(25)17(26)18(28-19(14)15)9-2-4-10(22)5-3-9/h2-5,7-8,11,22-24,26H,6H2,1H3,(H,21,27)", "name": "Lilaline", "names": [ "Lilaline" ] }, { "compound_id": "C10603", "inchi": "InChI=1S/C25H31N3O4/c29-19-8-10-25-11-9-24(31)27-14-2-1-12-26-13-3-15-28-23(30)7-5-18-4-6-21(20(25)16-18)32-22(25)17-19/h4-7,9,11,16,22,26H,1-3,8,10,12-15,17H2,(H,27,31)(H,28,30)/b7-5+,11-9+/t22-,25+/m1/s1", "name": "Lunarine", "names": [ "Lunarine" ] }, { "compound_id": "C10604", "inchi": "InChI=1S/C29H37NO5/c1-19(31)35-25-11-7-21-9-13-29(33-2)27(15-21)26-14-20(8-12-28(26)32)6-10-24-16-22-4-3-5-23(17-25)30(22)18-34-24/h8-9,12-15,22-25,32H,3-7,10-11,16-18H2,1-2H3/t22-,23-,24+,25+/m1/s1", "name": "Lythramine", "names": [ "Lythramine" ] }, { "compound_id": "C10605", "inchi": "InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1", "name": "Maculosin", "names": [ "Cyclo(L-Pro-L-Tyr)", "Maculosin" ] }, { "compound_id": "C10606", "inchi": "InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33?,34+/m1/s1", "name": "Maytansine", "names": [ "Maytansine" ] }, { "compound_id": "C10607", "inchi": "InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3/t11-/m0/s1", "name": "Mycosporine", "names": [ "Mycosporine" ] }, { "compound_id": "C10608", "inchi": "InChI=1S/C17H31N3O2/c1-2-16(21)15-8-5-7-14-13-17(22)19-11-4-3-9-18-10-6-12-20(14)15/h5,7,14-16,18,21H,2-4,6,8-13H2,1H3,(H,19,22)/t14-,15+,16+/m1/s1", "name": "Palustrine", "names": [ "Palustrine" ] }, { "compound_id": "C10609", "inchi": "InChI=1S/C21H21NO6/c1-22-9-3-4-13(22)16-18(25)21(27-2)19(26)17-14(24)10-15(28-20(16)17)11-5-7-12(23)8-6-11/h5-8,10,13,23,25-26H,3-4,9H2,1-2H3", "name": "Phyllospadine", "names": [ "Phyllospadine" ] }, { "compound_id": "C10610", "inchi": "InChI=1S/C16H18N2O3/c1-18-10-17-8-13(18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3/t12-,14+,15-/m0/s1", "name": "Pilosine", "names": [ "Pilosine" ] }, { "compound_id": "C10611", "inchi": "InChI=1S/C22H46N4O/c1-2-3-4-5-6-7-8-13-21-20-22(27)26-19-12-17-24-15-10-9-14-23-16-11-18-25-21/h21,23-25H,2-20H2,1H3,(H,26,27)", "name": "Pithecolobine", "names": [ "Pithecolobine" ] }, { "compound_id": "C10612", "inchi": "InChI=1S/C25H29N3O2/c29-24-18-22(20-9-2-1-3-10-20)26-15-6-7-17-28-23(14-16-27-24)21-11-5-4-8-19(21)12-13-25(28)30/h1-5,8-13,22-23,26H,6-7,14-18H2,(H,27,29)", "name": "Pleurostyline", "names": [ "Pleurostyline" ] }, { "compound_id": "C10613", "inchi": "InChI=1S/C17H23NO4/c1-11(2)5-8-22-15-9-13-14(16(21-4)12(15)3)10-18(6-7-19)17(13)20/h5,9,19H,6-8,10H2,1-4H3", "name": "Porritoxin", "names": [ "Porritoxin" ] }, { "compound_id": "C10614", "inchi": "InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1", "name": "Securinine", "names": [ "Securinine" ] }, { "compound_id": "C10615", "inchi": "InChI=1S/C12H13NO2/c1-13-8-4-7-12(13)10-6-3-2-5-9(10)11(14)15-12/h2-3,5-6H,4,7-8H2,1H3", "name": "Shihunine", "names": [ "Shihunine" ] }, { "compound_id": "C10616", "inchi": "InChI=1S/C20H20O5/c1-11-12(2)20(14-4-6-16-18(8-14)24-10-22-16)25-19(11)13-3-5-15-17(7-13)23-9-21-15/h3-8,11-12,19-20H,9-10H2,1-2H3/t11-,12-,19-,20-/m1/s1", "name": "(+)-Galbacin", "names": [ "(+)-Galbacin" ] }, { "compound_id": "C10617", "inchi": "InChI=1S/C20H26N2O8S/c1-9-16(3,4)12(25)18(30-9)6-11-17(28,13(18)29-10(2)24)7-19-14(26)21(5)20(8-23,31-19)15(27)22(11)19/h9,11,13,23,28H,6-8H2,1-5H3/t9-,11-,13+,17+,18-,19-,20-/m1/s1", "name": "Sirodesmin H", "names": [ "Sirodesmin H" ] }, { "compound_id": "C10618", "inchi": "InChI=1S/C18H20ClN3O6S2/c1-16-14(24)22-13-17(26,12(23)18(22,30-29-16)15(25)21(16)3)7-6-8(19)10(27-4)11(28-5)9(7)20(13)2/h6,12-13,23,26H,1-5H3/t12-,13-,16-,17-,18-/m1/s1", "name": "Sporidesmin", "names": [ "Sporidesmin" ] }, { "compound_id": "C10619", "inchi": "InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23-,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1", "name": "Taxine A", "names": [ "Taxine A" ] }, { "compound_id": "C10620", "inchi": "InChI=1S/C24H27NO4/c1-26-20-8-7-15-19-13-25-9-5-6-14(25)10-16(19)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-/m0/s1", "name": "(-)-Tylocrebrine", "names": [ "(-)-Tylocrebrine" ] }, { "compound_id": "C10621", "inchi": "InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m0/s1", "name": "Gomisin L1 methyl ether", "names": [ "(-)-gamma-Schizandrin", "Gomisin L1 methyl ether", "Rubschisandrin" ] }, { "compound_id": "C10622", "inchi": "InChI=1S/C24H32O7/c1-13-14(2)22(16-11-19(27-5)24(30-8)20(12-16)28-6)31-21(13)15-9-17(25-3)23(29-7)18(10-15)26-4/h9-14,21-22H,1-8H3/t13-,14-,21-,22-/m0/s1", "name": "Grandisin", "names": [ "Grandisin" ] }, { "compound_id": "C10623", "inchi": "InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m0/s1", "name": "Tylophorine", "names": [ "Tylophorine" ] }, { "compound_id": "C10624", "inchi": "InChI=1S/C15H20N2O/c18-15-14-8-4-5-9-17(14)11-13(16-15)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,18)/t13-,14-/m0/s1", "name": "Verruculotoxin", "names": [ "Verruculotoxin" ] }, { "compound_id": "C10625", "inchi": "InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-13-14-8-4-7-12(11)14/h1-3,5-6,9H,4,7-8H2", "name": "Withasomnine", "names": [ "Withasomnine" ] }, { "compound_id": "C10626", "inchi": "InChI=1S/C15H19NO3/c1-9(2)5-6-19-13-7-11-12(8-16-15(11)17)14(18-4)10(13)3/h5,7H,6,8H2,1-4H3,(H,16,17)", "name": "Zinnimidine", "names": [ "Zinnimidine" ] }, { "compound_id": "C10627", "inchi": "InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1", "name": "Hinokinin", "names": [ "Hinokinin" ] }, { "compound_id": "C10628", "inchi": "InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3-/t14-/m0/s1", "name": "cis-Hinokiresinol", "names": [ "cis-Hinokiresinol" ] }, { "compound_id": "C10629", "inchi": "InChI=1S/C18H17NO4/c1-18(2)7-5-10-14-12(9-13(20-3)15(10)23-18)19-17-11(6-8-22-17)16(14)21-4/h5-9H,1-4H3", "name": "Acronidine", "names": [ "Acronidine" ] }, { "compound_id": "C10630", "inchi": "InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2", "name": "Honokiol", "names": [ "Honokiol" ] }, { "compound_id": "C10631", "inchi": "InChI=1S/C15H15NO5/c1-17-9-7-10(18-2)14(20-4)12-11(9)13(19-3)8-5-6-21-15(8)16-12/h5-7H,1-4H3", "name": "Acronycidine", "names": [ "Acronycidine", "Furo(2,3-b)quinoline, 4,5,7,8-tetramethoxy-" ] }, { "compound_id": "C10632", "inchi": "InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3", "name": "Acronycine", "names": [ "Acronine", "Acronycine" ] }, { "compound_id": "C10633", "inchi": "InChI=1S/C22H18O7/c1-24-16-7-12-13(8-17(16)25-2)21(26-3)14-9-27-22(23)20(14)19(12)11-4-5-15-18(6-11)29-10-28-15/h4-8H,9-10H2,1-3H3", "name": "Justicidin A", "names": [ "Justicidin A" ] }, { "compound_id": "C10634", "inchi": "InChI=1S/C17H17NO3/c1-11(2)6-8-18-15-10-12(20-3)4-5-13(15)16(19)14-7-9-21-17(14)18/h4-7,9-10H,8H2,1-3H3", "name": "Acrophylline", "names": [ "Acrophylline" ] }, { "compound_id": "C10635", "inchi": "InChI=1S/C20H21N3O3/c1-22(2)15-9-5-4-8-14(15)20(25)11-12-23-18(24)13-7-6-10-16(26-3)17(13)21-19(20)23/h4-10,25H,11-12H2,1-3H3/t20-/m1/s1", "name": "Aniflorine", "names": [ "Aniflorine" ] }, { "compound_id": "C10636", "inchi": "InChI=1S/C21H16O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-8H,9-10H2,1-2H3", "name": "Justicidin B", "names": [ "Justicidin B" ] }, { "compound_id": "C10637", "inchi": "InChI=1S/C20H19N3O3/c1-2-26-20(25)14-8-4-6-10-16(14)21-17-11-12-23-18(17)22-15-9-5-3-7-13(15)19(23)24/h3-10,17,21H,2,11-12H2,1H3", "name": "Anisessine", "names": [ "Anisessine" ] }, { "compound_id": "C10638", "inchi": "InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1", "name": "Kadsurenone", "names": [ "Kadsurenone" ] }, { "compound_id": "C10639", "inchi": "InChI=1S/C20H19N3O3/c1-21-16-8-7-12(11-15(16)20(25)26-2)13-9-10-23-18(13)22-17-6-4-3-5-14(17)19(23)24/h3-8,11,13,21H,9-10H2,1-2H3", "name": "Anisotine", "names": [ "Anisotine" ] }, { "compound_id": "C10640", "inchi": "InChI=1S/C21H24O6/c1-5-6-15-10-20(23-3)13(2)19(27-21(20,24-4)11-16(15)22)14-7-8-17-18(9-14)26-12-25-17/h5,7-10,13,19H,1,6,11-12H2,2-4H3/t13-,19+,20+,21-/m1/s1", "name": "Kadsurin A", "names": [ "Kadsurin A" ] }, { "compound_id": "C10641", "inchi": "InChI=1S/C25H33NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26-24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,26,27)/b19-12+,20-16+", "name": "Aurachin D", "names": [ "Aurachin D" ] }, { "compound_id": "C10642", "inchi": "InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3", "name": "Arborine", "names": [ "Arborine", "Glycosine" ] }, { "compound_id": "C10643", "inchi": "InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3", "name": "Arborinine", "names": [ "Arborinine" ] }, { "compound_id": "C10644", "inchi": "InChI=1S/C34H30N2O9/c1-14(2)34-33(42)26-23(45-34)13-20(38)25-29(26)36(4)27-16(31(25)40)7-6-8-21(27)44-22-10-9-17-28(32(22)41)35(3)18-11-15(43-5)12-19(37)24(18)30(17)39/h6-14,33-34,37-38,41-42H,1-5H3/t33-,34+/m0/s1", "name": "Atalanine", "names": [ "Atalanine" ] }, { "compound_id": "C10645", "inchi": "InChI=1S/C23H25NO4/c1-12(2)8-10-15-20-18(23(28)16(21(15)26)11-9-13(3)4)22(27)14-6-5-7-17(25)19(14)24-20/h5-9,25-26,28H,10-11H2,1-4H3,(H,24,27)", "name": "Atalaphylline", "names": [ "Atalaphylline" ] }, { "compound_id": "C10646", "inchi": "InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1", "name": "Lariciresinol", "names": [ "Lariciresinol" ] }, { "compound_id": "C10647", "inchi": "InChI=1S/C16H19NO4/c1-16(2,19)12-8-10-14(18)9-6-5-7-11(20-4)13(9)17(3)15(10)21-12/h5-7,12,19H,8H2,1-4H3/t12-/m1/s1", "name": "Balfourodine", "names": [ "Balfourodine" ] }, { "compound_id": "C10648", "inchi": "InChI=1S/C17H22NO4/c1-17(2,19)13-9-11-15(21-5)10-7-6-8-12(20-4)14(10)18(3)16(11)22-13/h6-8,13,19H,9H2,1-5H3/q+1/t13-/m1/s1", "name": "Balfourodinium", "names": [ "Balfourodinium" ] }, { "compound_id": "C10649", "inchi": "InChI=1S/C19H25NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,12,17,21,23H,8-9,11H2,1-3H3,(H,20,22)/b13-10+", "name": "Bucharaine", "names": [ "Bucharaine" ] }, { "compound_id": "C10650", "inchi": "InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m0/s1", "name": "Licarin A", "names": [ "(+)(-)-trans-Dehydrodiisoeugenol", "Licarin A" ] }, { "compound_id": "C10651", "inchi": "InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2", "name": "Magnolol", "names": [ "Magnolol" ] }, { "compound_id": "C10652", "inchi": "InChI=1S/C19H25NO4/c1-11(19(4)10-9-14(21)18(2,3)24-19)15-16(22)12-7-5-6-8-13(12)20-17(15)23/h5-8,11,14,21H,9-10H2,1-4H3,(H2,20,22,23)", "name": "Bucharidine", "names": [ "Bucharidine" ] }, { "compound_id": "C10653", "inchi": "InChI=1S/C20H21NO5/c1-10(2)5-6-11-15(23)9-13-16(18(11)24)19(25)12-7-8-14(22)20(26-4)17(12)21(13)3/h5,7-9,22-24H,6H2,1-4H3", "name": "Buntanine", "names": [ "Buntanine" ] }, { "compound_id": "C10654", "inchi": "InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3", "name": "Casimiroin", "names": [ "Casimiroin" ] }, { "compound_id": "C10655", "inchi": "InChI=1S/C19H17NO3/c1-21-18-11-14(20-16-5-3-2-4-15(16)18)8-6-13-7-9-17-19(10-13)23-12-22-17/h2-5,7,9-11H,6,8,12H2,1H3", "name": "Cusparine", "names": [ "Cusparine" ] }, { "compound_id": "C10656", "inchi": "InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2", "name": "Deoxypeganine", "names": [ "3-Deoxyvasicine", "Deoxypeganine" ] }, { "compound_id": "C10657", "inchi": "InChI=1S/C24H32O7/c1-13-23(15-9-19(27-5)21(29-7)11-17(15)25-3)14(2)31-24(13)16-10-20(28-6)22(30-8)12-18(16)26-4/h9-14,23-24H,1-8H3/t13-,14-,23-,24-/m0/s1", "name": "Magnosalicin", "names": [ "Magnosalicin" ] }, { "compound_id": "C10658", "inchi": "InChI=1S/C24H30O6/c1-13-9-15-18(26-4)12-21(29-7)24(30-8)23(15)22(14(13)2)16-10-19(27-5)20(28-6)11-17(16)25-3/h9-12,14,22H,1-8H3/t14-,22-/m0/s1", "name": "Magnoshinin", "names": [ "Magnoshinin" ] }, { "compound_id": "C10659", "inchi": "InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2", "name": "Deoxyvasicinone", "names": [ "2,3-Trimethylene-4-quinazolone", "Deoxyvasicinone" ] }, { "compound_id": "C10660", "inchi": "InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3", "name": "Dictamnine", "names": [ "Dictamnine" ] }, { "compound_id": "C10661", "inchi": "InChI=1S/C16H11NO2/c1-2-4-13-11(3-1)5-7-14(17-13)12-6-8-15-16(9-12)19-10-18-15/h1-9H,10H2", "name": "Dubamine", "names": [ "Dubamine" ] }, { "compound_id": "C10662", "inchi": "InChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3", "name": "Dubinidine", "names": [ "Dubinidine" ] }, { "compound_id": "C10663", "inchi": "InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3", "name": "Echinopsine", "names": [ "Echinopsine" ] }, { "compound_id": "C10664", "inchi": "InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3", "name": "Acetosyringone", "names": [ "Acetosyringone" ] }, { "compound_id": "C10665", "inchi": "InChI=1S/C11H12NO/c1-12-8-7-11(13-2)9-5-3-4-6-10(9)12/h3-8H,1-2H3/q+1", "name": "Echinorine", "names": [ "Echinorine", "Quinolinium, 4-methoxy-1-methyl-" ] }, { "compound_id": "C10666", "inchi": "InChI=1S/C20H21NO4/c1-12(2)9-10-25-16-11-15-17(19(23)20(16)24-4)18(22)13-7-5-6-8-14(13)21(15)3/h5-9,11,23H,10H2,1-4H3", "name": "Evoprenine", "names": [ "Evoprenine" ] }, { "compound_id": "C10667", "inchi": "InChI=1S/C10H10O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-6H,1-2H3", "name": "3-Acetyl-6-methoxybenzaldehyde", "names": [ "3-Acetyl-6-methoxybenzaldehyde" ] }, { "compound_id": "C10668", "inchi": "InChI=1S/C15H11NO4/c1-18-15-12-10(6-11-14(15)20-7-19-11)16-9-5-3-2-4-8(9)13(12)17/h2-6H,7H2,1H3,(H,16,17)", "name": "Evoxanthidine", "names": [ "Evoxanthidine" ] }, { "compound_id": "C10669", "inchi": "InChI=1S/C36H44O12/c1-8-11-22(37)25-31(43)20(14-18-28(40)16(4)35(47-6)26(33(18)45)23(38)12-9-2)30(42)21(32(25)44)15-19-29(41)17(5)36(48-7)27(34(19)46)24(39)13-10-3/h40-46H,8-15H2,1-7H3", "name": "Agrimol C", "names": [ "Agrimol C" ] }, { "compound_id": "C10670", "inchi": "InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3", "name": "Evoxine", "names": [ "2,3-Butanediol, 1-((4,8-dimethoxyfuro(2,3-b)quinolin-7-yl)oxy)-3-methyl-, (+)-", "Evoxine" ] }, { "compound_id": "C10671", "inchi": "InChI=1S/C26H34O8/c1-8-10-16(27)17-22(31)15(20(29)13(4)23(17)34-7)11-26(6)24(32)14(5)21(30)18(25(26)33)19(28)12(3)9-2/h12,29-32H,8-11H2,1-7H3/t12-,26+/m1/s1", "name": "Agrimophol", "names": [ "Agrimophol" ] }, { "compound_id": "C10672", "inchi": "InChI=1S/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-29,31-32H,7-11H2,1-6H3", "name": "Aspidin", "names": [ "Aspidin" ] }, { "compound_id": "C10673", "inchi": "InChI=1S/C12H16O4/c1-4-5-8(13)11-9(14)6-10(16-3)7(2)12(11)15/h6,14-15H,4-5H2,1-3H3", "name": "Aspidinol", "names": [ "Aspidinol" ] }, { "compound_id": "C10674", "inchi": "InChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3", "name": "Danielone", "names": [ "Danielone" ] }, { "compound_id": "C10675", "inchi": "InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3", "name": "3',4'-Dihydroxyacetophenone", "names": [ "3',4'-Dihydroxyacetophenone" ] }, { "compound_id": "C10676", "inchi": "InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3", "name": "gamma-Fagarine", "names": [ "Fagarine", "gamma-Fagarine" ] }, { "compound_id": "C10677", "inchi": "InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m0/s1", "name": "Febrifugine", "names": [ "Febrifugine" ] }, { "compound_id": "C10678", "inchi": "InChI=1S/C14H11NO5/c1-16-11-7-3-4-18-14(7)15-10-8(11)5-9-12(13(10)17-2)20-6-19-9/h3-5H,6H2,1-2H3", "name": "Flindersiamine", "names": [ "Flindersiamine" ] }, { "compound_id": "C10679", "inchi": "InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)", "name": "Flindersine", "names": [ "Flindersine" ] }, { "compound_id": "C10680", "inchi": "InChI=1S/C9H10O4/c1-5(10)9-7(11)3-6(13-2)4-8(9)12/h3-4,11-12H,1-2H3", "name": "2',6'-Dihydroxy-4'-methoxyacetophenone", "names": [ "2',6'-Dihydroxy-4'-methoxyacetophenone", "4-O-Methylphloracetophenone" ] }, { "compound_id": "C10681", "inchi": "InChI=1S/C16H11NO3/c1-17-11-5-3-2-4-9(11)16(19)14-12(18)8-13-10(15(14)17)6-7-20-13/h2-8,18H,1H3", "name": "Furofoline I", "names": [ "Furofoline I" ] }, { "compound_id": "C10682", "inchi": "InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1", "name": "Matairesinol", "names": [ "Matairesinol" ] }, { "compound_id": "C10683", "inchi": "InChI=1S/C20H21NO3/c1-22-18-11-9-14(12-19(18)23-2)8-10-15-13-21-17-7-5-4-6-16(17)20(15)24-3/h4-7,9,11-13H,8,10H2,1-3H3", "name": "Galipine", "names": [ "Galipine" ] }, { "compound_id": "C10684", "inchi": "InChI=1S/C10H12O4/c1-6(11)10-8(13-2)4-7(12)5-9(10)14-3/h4-5,12H,1-3H3", "name": "2',6'-Dimethoxy-4'-hydroxyacetophenone", "names": [ "2',6'-Dimethoxy-4'-hydroxyacetophenone" ] }, { "compound_id": "C10685", "inchi": "InChI=1S/C37H34N2O6/c1-18(2)14-15-21-32-30(34(42)20-11-7-9-13-24(20)39(32)5)36(44)28(35(21)43)22-17-37(3,4)45-26-16-25(40)29-31(27(22)26)38-23-12-8-6-10-19(23)33(29)41/h6-14,16,22,40,43-44H,15,17H2,1-5H3,(H,38,41)", "name": "Glycobismine A", "names": [ "Glycobismine A" ] }, { "compound_id": "C10686", "inchi": "InChI=1S/C19H21NO8/c1-8-13(21)14(22)15(23)19(27-8)28-11-5-4-9-12(17(11)25-3)20-18-10(6-7-26-18)16(9)24-2/h4-8,13-15,19,21-23H,1-3H3/t8-,13-,14+,15+,19-/m0/s1", "name": "Glycoperine", "names": [ "Glycoperine" ] }, { "compound_id": "C10687", "inchi": "InChI=1S/C16H14N2O/c1-19-16-13-9-5-6-10-14(13)17-15(18-16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3", "name": "Glycophymoline", "names": [ "Glycophymoline" ] }, { "compound_id": "C10688", "inchi": "InChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)", "name": "Glycosminine", "names": [ "Glycosminine" ] }, { "compound_id": "C10689", "inchi": "InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3", "name": "Graveoline", "names": [ "Graveoline" ] }, { "compound_id": "C10690", "inchi": "InChI=1S/C22H30O6/c1-7-10-22(13-16(25-3)8-9-19(22)23)14(2)20(24)15-11-17(26-4)21(28-6)18(12-15)27-5/h7-9,11-12,14,16,20,24H,1,10,13H2,2-6H3/t14-,16+,20-,22-/m1/s1", "name": "Megaphone", "names": [ "Megaphone" ] }, { "compound_id": "C10691", "inchi": "InChI=1S/C28H26N2O6/c1-28(2)20-16(18-23(36-28)12-8-6-7-9-14(12)29-26(18)31)17-19-22(33-4)13-10-11-15(32-3)24(34-5)21(13)30-27(19)35-25(17)20/h6-11,16-17,20,25H,1-5H3,(H,29,31)/t16-,17+,20+,25-/m1/s1", "name": "Haplodimerine", "names": [ "Haplodimerine" ] }, { "compound_id": "C10692", "inchi": "InChI=1S/C18H23NO4/c1-11(2)7-9-18(22-4)14(20)6-5-12-15(21-3)13-8-10-23-17(13)19-16(12)18/h7-8,10,14,20H,5-6,9H2,1-4H3/t14-,18+/m1/s1", "name": "Haplophyllidine", "names": [ "Haplophyllidine" ] }, { "compound_id": "C10693", "inchi": "InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h40-42,45-48H,8-15H2,1-7H3", "name": "Filixic acid BBB", "names": [ "Filicin", "Filixic acid BBB" ] }, { "compound_id": "C10694", "inchi": "InChI=1S/C13H11NO4/c1-16-11-7-3-4-9(15)12(17-2)10(7)14-13-8(11)5-6-18-13/h3-6,15H,1-2H3", "name": "Haplopine", "names": [ "Haplopine", "Heliparvifoline" ] }, { "compound_id": "C10695", "inchi": "InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1", "name": "Humulone", "names": [ "Humulone" ] }, { "compound_id": "C10696", "inchi": "InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14?,19+,20-/m0/s1", "name": "Hydroquinidine", "names": [ "Hydroquinidine" ] }, { "compound_id": "C10697", "inchi": "InChI=1S/C12H9NO2/c1-13-10-5-3-2-4-8(10)11(14)9-6-7-15-12(9)13/h2-7H,1H3", "name": "Isodictamnine", "names": [ "Isodictamnine" ] }, { "compound_id": "C10698", "inchi": "InChI=1S/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14-,16?/m0/s1", "name": "Isofebrifugine", "names": [ "Isofebrifugine" ] }, { "compound_id": "C10699", "inchi": "InChI=1S/C18H17NO3/c1-19-15-10-9-13(21-2)11-14(15)17(20)18(22-3)16(19)12-7-5-4-6-8-12/h4-11H,1-3H3", "name": "Japonine", "names": [ "Japonine" ] }, { "compound_id": "C10700", "inchi": "InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3", "name": "4'-Hydroxyacetophenone", "names": [ "(4-Hydroxyphenyl)ethan-1-one", "4'-Hydroxyacetophenone" ] }, { "compound_id": "C10701", "inchi": "InChI=1S/C14H13NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h4-7H,1-3H3", "name": "Kokusaginine", "names": [ "Furo(2,3-b)quinoline, 4,6,7-trimethoxy-", "Kokusaginine" ] }, { "compound_id": "C10702", "inchi": "InChI=1S/C13H16O2/c1-9(2)4-5-12-8-11(10(3)14)6-7-13(12)15/h4,6-8,15H,5H2,1-3H3", "name": "4'-Hydroxy-3'-prenylacetophenone", "names": [ "4'-Hydroxy-3'-prenylacetophenone" ] }, { "compound_id": "C10703", "inchi": "InChI=1S/C14H17NO2/c1-4-7-12-14(17-3)13(16)10-8-5-6-9-11(10)15(12)2/h5-6,8-9H,4,7H2,1-3H3", "name": "Leiokinine A", "names": [ "Leiokinine A" ] }, { "compound_id": "C10704", "inchi": "InChI=1S/C25H32O8/c1-10(2)18(26)16-22(30)14(20(28)12(5)24(16)32-7)9-15-21(29)13(6)25(33-8)17(23(15)31)19(27)11(3)4/h10-11,28-31H,9H2,1-8H3", "name": "alpha-Kosin", "names": [ "alpha-Kosin" ] }, { "compound_id": "C10705", "inchi": "InChI=1S/C15H17NO2/c1-9-12-13(17)10-7-5-6-8-11(10)16(4)14(12)18-15(9,2)3/h5-9H,1-4H3", "name": "Lemobiline", "names": [ "Lemobiline" ] }, { "compound_id": "C10706", "inchi": "InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28,30H,10,13-15H2,1-8H3", "name": "Lupulone", "names": [ "Lupulone" ] }, { "compound_id": "C10707", "inchi": "InChI=1S/C23H26O7/c1-25-18-7-12-6-13-11-30-23(24)15(13)8-17-16(14(12)9-19(18)26-2)10-20(27-3)22(29-5)21(17)28-4/h7,9-10,13,15H,6,8,11H2,1-5H3/t13-,15+/m0/s1", "name": "Neoisostegane", "names": [ "Neoisostegane" ] }, { "compound_id": "C10708", "inchi": "InChI=1S/C21H24O8/c1-8-16(24)14(10(3)22)18(26)12(20(8)28-5)7-13-19(27)15(11(4)23)17(25)9(2)21(13)29-6/h24-27H,7H2,1-6H3", "name": "Mallotophenone", "names": [ "Mallotophenone" ] }, { "compound_id": "C10709", "inchi": "InChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3", "name": "Multifidol", "names": [ "Multifidol" ] }, { "compound_id": "C10710", "inchi": "InChI=1S/C17H23NO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20/h6-8,10,13,19H,9H2,1-5H3/t13-/m1/s1", "name": "Lunacridine", "names": [ "Lunacridine" ] }, { "compound_id": "C10711", "inchi": "InChI=1S/C16H19NO3/c1-9(2)13-8-11-15(18)10-6-5-7-12(19-4)14(10)17(3)16(11)20-13/h5-7,9,13H,8H2,1-4H3/t13-/m1/s1", "name": "Lunacrine", "names": [ "Lunacrine" ] }, { "compound_id": "C10712", "inchi": "InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3", "name": "Paeonol", "names": [ "Paeonol" ] }, { "compound_id": "C10713", "inchi": "InChI=1S/C18H15NO4/c1-19-14(11-3-6-17-18(7-11)23-10-22-17)9-16(20)13-5-4-12(21-2)8-15(13)19/h3-9H,10H2,1-2H3", "name": "Lunamarine", "names": [ "Lunamarine" ] }, { "compound_id": "C10714", "inchi": "InChI=1S/C13H9NO4/c1-15-12-7-2-3-16-13(7)14-9-5-11-10(4-8(9)12)17-6-18-11/h2-5H,6H2,1H3", "name": "Maculine", "names": [ "1,3-Dioxolo(4,5-g)furo(2,3-b)quinoline, 9-methoxy-", "Maculine" ] }, { "compound_id": "C10715", "inchi": "InChI=1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1", "name": "Paeonolide", "names": [ "Paeonolide" ] }, { "compound_id": "C10716", "inchi": "InChI=1S/C14H13NO4/c1-16-8-6-10-12(11(7-8)17-2)15-14-9(4-5-19-14)13(10)18-3/h4-7H,1-3H3", "name": "Maculosidine", "names": [ "Furo(2,3-b)quinoline, 4,6,8-trimethoxy-", "Maculosidine" ] }, { "compound_id": "C10717", "inchi": "InChI=1S/C15H20O8/c1-7(17)9-4-3-8(21-2)5-10(9)22-15-14(20)13(19)12(18)11(6-16)23-15/h3-5,11-16,18-20H,6H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1", "name": "Paeonoside", "names": [ "Paeonoside" ] }, { "compound_id": "C10718", "inchi": "InChI=1S/C17H17NO6/c1-17(2,20)14(19)7-22-15-9-3-4-21-16(9)18-11-6-13-12(5-10(11)15)23-8-24-13/h3-6,14,19-20H,7-8H2,1-2H3", "name": "Maculosine", "names": [ "Maculosine" ] }, { "compound_id": "C10719", "inchi": "InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+", "name": "Nordihydroguaiaretic acid", "names": [ "Nordihydroguaiaretic acid" ] }, { "compound_id": "C10720", "inchi": "InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1", "name": "Picein", "names": [ "Picein" ] }, { "compound_id": "C10721", "inchi": "InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+", "name": "Rottlerin", "names": [ "Rottlerin" ] }, { "compound_id": "C10722", "inchi": "InChI=1S/C18H19NO5/c1-19-11-9-7-6-8-10(11)14(20)12-13(19)16(22-3)18(24-5)17(23-4)15(12)21-2/h6-9H,1-5H3", "name": "Melicopicine", "names": [ "Melicopicine" ] }, { "compound_id": "C10723", "inchi": "InChI=1S/C21H28O5/c1-10(2)7-13(22)16-17(24)20-9-12(11(3)4)19(5,6)14(20)8-15(23)21(20,26)18(16)25/h10,12,14,25-26H,3,7-9H2,1-2,4-6H3/t12?,14-,20+,21+/m1/s1", "name": "Tricyclodehydroisohumulone", "names": [ "Tricyclodehydroisohumulone" ] }, { "compound_id": "C10724", "inchi": "InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15-17(23-8-22-15)16(21-3)14(11)20-2/h4-7H,8H2,1-3H3", "name": "Melicopine", "names": [ "4,5-Dimethoxy-methyl-1,3-dioxolo(4,5-c)acridin-6(11H)-one", "Melicopine" ] }, { "compound_id": "C10725", "inchi": "InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20-/m0/s1", "name": "Nortrachelogenin", "names": [ "Nortrachelogenin" ] }, { "compound_id": "C10726", "inchi": "InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3", "name": "Xanthoxylin", "names": [ "Xanthoxylin" ] }, { "compound_id": "C10727", "inchi": "InChI=1S/C22H21NO2/c1-14-22(25-2)21(24)20-18-11-7-6-10-16(15-8-4-3-5-9-15)17(18)12-13-19(20)23-14/h3-5,8-10,12-13H,6-7,11H2,1-2H3,(H,23,24)", "name": "Melochinone", "names": [ "Melochinone" ] }, { "compound_id": "C10728", "inchi": "InChI=1S/C20H20O4/c1-11-7-13-4-6-16-20(24-10-22-16)19(13)18(12(11)2)14-3-5-15-17(8-14)23-9-21-15/h3-6,8,11-12,18H,7,9-10H2,1-2H3/t11-,12+,18+/m0/s1", "name": "Otobain", "names": [ "Otobain" ] }, { "compound_id": "C10729", "inchi": "InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1", "name": "alpha-Peltatin", "names": [ "alpha-Peltatin" ] }, { "compound_id": "C10730", "inchi": "InChI=1S/C23H24O8/c1-25-15-6-11(7-16(26-2)21(15)28-4)18-13-8-17-22(31-10-30-17)20(27-3)14(13)5-12-9-29-23(24)19(12)18/h6-8,12,18-19H,5,9-10H2,1-4H3/t12-,18+,19-/m0/s1", "name": "beta-Peltatin A methyl ether", "names": [ "beta-Peltatin A methyl ether" ] }, { "compound_id": "C10731", "inchi": "InChI=1S/C15H15NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-9H,1-3H3", "name": "N-Methylflindersine", "names": [ "5H-Pyrano(3,2-c)quinolin-5-one, 2,6-dihydro-2,2,6-trimethyl-", "N-Methylflindersine" ] }, { "compound_id": "C10732", "inchi": "InChI=1S/C18H22NO4/c1-10(2)14-9-13-17(22-6)12-7-11(20-4)8-15(21-5)16(12)19(3)18(13)23-14/h7-8,14H,1,9H2,2-6H3/q+1", "name": "O-Methylptelefolonium", "names": [ "O-Methylptelefolonium" ] }, { "compound_id": "C10733", "inchi": "InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m1/s1", "name": "Peganine", "names": [ "Peganine", "Vasicine" ] }, { "compound_id": "C10734", "inchi": "InChI=1S/C16H19NO4/c1-16(2,19)12-8-10-14(20-4)9-6-5-7-11(18)13(9)17(3)15(10)21-12/h5-7,12,19H,8H2,1-4H3/p+1/t12-/m1/s1", "name": "Pteleatine", "names": [ "Pteleatine" ] }, { "compound_id": "C10735", "inchi": "InChI=1S/C16H19NO4/c1-16(2,19)13-8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-13/h5-7,13,19H,8H2,1-4H3/p+1/t13-/m1/s1", "name": "Ribalinium", "names": [ "Ribalinium" ] }, { "compound_id": "C10736", "inchi": "InChI=1S/C12H9NO3/c1-15-11-7-3-2-4-9(14)10(7)13-12-8(11)5-6-16-12/h2-6,14H,1H3", "name": "Robustine", "names": [ "Furo(2,3-b)quinolin-8-ol, 4-methoxy-", "Robustine" ] }, { "compound_id": "C10737", "inchi": "InChI=1S/C24H24O11/c1-12(25)35-24-9-29-22(13-4-17-18(31-10-30-17)5-15(13)26-2)14(24)8-28-23(24)34-21-7-20-19(32-11-33-20)6-16(21)27-3/h4-7,14,22-23H,8-11H2,1-3H3/t14-,22-,23+,24-/m1/s1", "name": "Phrymarolin I", "names": [ "Phrymarolin I" ] }, { "compound_id": "C10738", "inchi": "InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3", "name": "Rutacridone", "names": [ "Rutacridone" ] }, { "compound_id": "C10739", "inchi": "InChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3", "name": "Rutacridone epoxide", "names": [ "Rutacridone epoxide" ] }, { "compound_id": "C10740", "inchi": "InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3", "name": "Skimmianine", "names": [ "Skimmianine" ] }, { "compound_id": "C10741", "inchi": "InChI=1S/C11H11NO3/c1-14-9-7-5-3-4-6-8(7)12-11(13)10(9)15-2/h3-6H,1-2H3,(H,12,13)", "name": "Swietenidin B", "names": [ "Swietenidin B" ] }, { "compound_id": "C10742", "inchi": "InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H", "name": "Tryptanthrine", "names": [ "Tryptanthrine" ] }, { "compound_id": "C10743", "inchi": "InChI=1S/C11H12N2O2/c14-8-1-2-9-7(5-8)6-13-4-3-10(15)11(13)12-9/h1-2,5,10,14-15H,3-4,6H2/t10-/m0/s1", "name": "Vasicinol", "names": [ "Pyrrolo(2,1-b)quinazoline-3,7-diol, 1,2,3,9-tetrahydro-, (R)-", "Vasicinol" ] }, { "compound_id": "C10744", "inchi": "InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1", "name": "Vasicinone", "names": [ "Vasicinone" ] }, { "compound_id": "C10745", "inchi": "InChI=1S/C18H24NO5/c1-18(2,20)13-9-11-15(22-5)10-7-8-12(21-4)16(23-6)14(10)19(3)17(11)24-13/h7-8,13,20H,9H2,1-6H3/q+1/t13-/m0/s1", "name": "Veprisinium", "names": [ "Veprisinium", "Veprisinium salt" ] }, { "compound_id": "C10746", "inchi": "InChI=1S/C24H34O6/c1-25-15-19(11-17-7-9-21(27-3)23(13-17)29-5)20(16-26-2)12-18-8-10-22(28-4)24(14-18)30-6/h7-10,13-14,19-20H,11-12,15-16H2,1-6H3/t19-,20-/m1/s1", "name": "Phyllanthin", "names": [ "Phyllanthin" ] }, { "compound_id": "C10747", "inchi": "InChI=1S/C14H20N2O/c1-2-3-13-12-6-10(8-15-13)9-16-5-4-11(17)7-14(12)16/h2,4-5,10,12-15H,1,3,6-9H2/t10?,12?,13-,14-/m1/s1", "name": "Albine", "names": [ "Albine" ] }, { "compound_id": "C10748", "inchi": "InChI=1S/C15H24N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-16H,1-7,9-10H2/t12?,13?,14-,15-/m1/s1", "name": "Aloperine", "names": [ "Aloperine" ] }, { "compound_id": "C10749", "inchi": "InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1", "name": "Ammothamnine", "names": [ "Ammothamnine", "Matrine N-oxide", "Oxymatrine" ] }, { "compound_id": "C10750", "inchi": "InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11?,12?,13-/m1/s1", "name": "Anagyrine", "names": [ "Anagyrine" ] }, { "compound_id": "C10751", "inchi": "InChI=1S/C14H22N2O/c1-2-4-12-11-7-10(8-15-12)13-5-3-6-14(17)16(13)9-11/h2,10-13,15H,1,3-9H2/t10?,11?,12-,13+/m0/s1", "name": "Angustifoline", "names": [ "Angustifoline" ] }, { "compound_id": "C10752", "inchi": "InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11?,12?,13-,14+/m1/s1", "name": "Aphylline", "names": [ "Aphylline" ] }, { "compound_id": "C10753", "inchi": "InChI=1S/C23H26N4O3/c28-21-5-1-3-19-17-7-15(11-26(19)21)9-24(13-17)23(30)25-10-16-8-18(14-25)20-4-2-6-22(29)27(20)12-16/h1-6,15-18H,7-14H2", "name": "Argentine", "names": [ "Argentine" ] }, { "compound_id": "C10754", "inchi": "InChI=1S/C15H22N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h5,10-11,13-14,18H,1-4,6-9H2/t10?,11?,13-,14?/m0/s1", "name": "Argyrolobine", "names": [ "Argyrolobine" ] }, { "compound_id": "C10755", "inchi": "InChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2/t10?,11?,12-,14+/m0/s1", "name": "Baptifoline", "names": [ "Baptifoline" ] }, { "compound_id": "C10756", "inchi": "InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)", "name": "Cadiamine", "names": [ "Cadiamine" ] }, { "compound_id": "C10757", "inchi": "InChI=1S/C20H27N3O3/c24-19-5-1-4-17-13-9-14(12-23(17)19)18-10-15(6-8-22(18)11-13)26-20(25)16-3-2-7-21-16/h2-3,7,13-15,17-18,21H,1,4-6,8-12H2/t13?,14?,15-,17+,18-/m0/s1", "name": "Calpurnine", "names": [ "Calpurnine", "Hoe 933" ] }, { "compound_id": "C10758", "inchi": "InChI=1S/C14H18N2O/c17-14-5-1-3-13-10-7-11(9-16(13)14)12-4-2-6-15(12)8-10/h1,3,5,10-12H,2,4,6-9H2/t10?,11?,12-/m1/s1", "name": "Camoensine", "names": [ "Camoensine" ] }, { "compound_id": "C10759", "inchi": "InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)", "name": "Anacardic acid", "names": [ "Anacardic acid" ] }, { "compound_id": "C10760", "inchi": "InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3", "name": "Caulophylline", "names": [ "Caulophylline", "N-Methylcytisine" ] }, { "compound_id": "C10761", "inchi": "InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3", "name": "p-Anisaldehyde", "names": [ "p-Anisaldehyde" ] }, { "compound_id": "C10762", "inchi": "InChI=1S/C23H30N2O6/c1-30-22-19(26)8-13(9-20(22)27)23(29)31-16-5-6-24-11-14-7-15(18(24)10-16)12-25-17(14)3-2-4-21(25)28/h8-9,14-18,26-27H,2-7,10-12H2,1H3/t14?,15?,16-,17+,18-/m0/s1", "name": "Cinegalline", "names": [ "Cinegalline" ] }, { "compound_id": "C10763", "inchi": "InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2", "name": "Cytisine", "names": [ "Cytisine" ] }, { "compound_id": "C10764", "inchi": "InChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h5,11-13H,1-4,6-10H2/t11?,12?,13-/m0/s1", "name": "5,6-Dehydrolupanine", "names": [ "5,6-Dehydrolupanine" ] }, { "compound_id": "C10765", "inchi": "InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3", "name": "Antiarol", "names": [ "3,4,5-Trimethoxyphenol", "Antiarol" ] }, { "compound_id": "C10766", "inchi": "InChI=1S/C15H20O4/c1-5-8(2)14(18)9(3)11-6-13(17)10(4)15(19)12(11)7-16/h6-9,17,19H,5H2,1-4H3", "name": "Ascosalitoxin", "names": [ "Ascosalitoxin" ] }, { "compound_id": "C10767", "inchi": "InChI=1S/C24H32N4O2/c1-25-9-15-7-17(13-25)21-5-3-20(24(30)27(21)11-15)19-4-6-22(29)28-12-16-8-18(23(19)28)14-26(2)10-16/h3,5,15-18H,4,6-14H2,1-2H3", "name": "Dimethamine", "names": [ "Dimethamine" ] }, { "compound_id": "C10768", "inchi": "InChI=1S/C21H35N3/c1-3-9-22-14-21-13-17(18(22)7-1)12-16-6-5-11-24(20(16)21)15-23-10-4-2-8-19(21)23/h16-20H,1-15H2/t16-,17?,18+,19+,20+,21+/m0/s1", "name": "Jamine", "names": [ "Jamine" ] }, { "compound_id": "C10769", "inchi": "InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1", "name": "Lamprolobine", "names": [ "Lamprolobine" ] }, { "compound_id": "C10770", "inchi": "InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-", "name": "Bilobol", "names": [ "5-[(8Z)-Pentadec-8-en-1-yl]benzene-1,3-diol", "Bilobol" ] }, { "compound_id": "C10771", "inchi": "InChI=1S/C15H26N2O/c18-12-17-10-4-2-6-15(17)13-7-8-14-5-1-3-9-16(14)11-13/h12-15H,1-11H2/t13-,14+,15-/m1/s1", "name": "Leontiformine", "names": [ "Leontiformine" ] }, { "compound_id": "C10772", "inchi": "InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11?,12?,13-,14+/m0/s1", "name": "Lupanine", "names": [ "(+)-Lupanine", "Lupanine" ] }, { "compound_id": "C10773", "inchi": "InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1", "name": "Lupinine", "names": [ "Lupinine" ] }, { "compound_id": "C10774", "inchi": "InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1", "name": "Matrine", "names": [ "Matrine" ] }, { "compound_id": "C10775", "inchi": "InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11?,12?,14-,15+/m0/s1", "name": "Multiflorine", "names": [ "Multiflorine" ] }, { "compound_id": "C10776", "inchi": "InChI=1S/C15H24N2O2/c18-12-6-14-10-5-11(9-17(14)15(19)7-12)13-3-1-2-4-16(13)8-10/h10-14,18H,1-9H2/t10?,11?,12-,13-,14+/m0/s1", "name": "Nuttalline", "names": [ "Nuttalline" ] }, { "compound_id": "C10777", "inchi": "InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16?,17+,18+,19+,20+/m0/s1", "name": "(-)-Ormosanine", "names": [ "(-)-Ormosanine" ] }, { "compound_id": "C10778", "inchi": "InChI=1S/C20H33N3/c1-2-9-22-13-20-12-15(16(22)6-1)11-14-5-4-10-23(19(14)20)18-8-3-7-17(20)21-18/h14-19,21H,1-13H2/t14-,15?,16+,17?,18?,19+,20+/m0/s1", "name": "Panamine", "names": [ "Panamine" ] }, { "compound_id": "C10779", "inchi": "InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16?,17-,18+,19+,20+/m1/s1", "name": "Piptanthine", "names": [ "Piptanthine" ] }, { "compound_id": "C10780", "inchi": "InChI=1S/C15H26N2O/c18-14-5-3-7-17-9-11-8-12(15(14)17)10-16-6-2-1-4-13(11)16/h11-15,18H,1-10H2/t11?,12?,13-,14-,15-/m0/s1", "name": "Retamine", "names": [ "Retamine" ] }, { "compound_id": "C10781", "inchi": "InChI=1S/C15H20N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,4-6,12-13H,1,3,7-11H2", "name": "Rhombifoline", "names": [ "(1R)-3-(3-Butenyl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,4]diazocin-8-one", "Rhombifoline" ] }, { "compound_id": "C10782", "inchi": "InChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/t11-,12+,15-/m0/s1", "name": "Sophoramine", "names": [ "Sophoramine" ] }, { "compound_id": "C10783", "inchi": "InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12?,13?,14-,15+", "name": "(-)-Sparteine", "names": [ "(-)-Sparteine", "Sparteine" ] }, { "compound_id": "C10784", "inchi": "InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1", "name": "Cannabidiolic acid", "names": [ "Cannabidiolic acid" ] }, { "compound_id": "C10785", "inchi": "InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3/b8-7-", "name": "(15:1)-Cardanol", "names": [ "(15:1)-Cardanol", "3-[(Z)-8-Pentadecenyl]phenol" ] }, { "compound_id": "C10786", "inchi": "InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16?,17-,18+,19-,20+/m1/s1", "name": "Templetine", "names": [ "Templetine" ] }, { "compound_id": "C10787", "inchi": "InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3", "name": "2,6-Dimethoxyphenol", "names": [ "2,6-Dimethoxyphenol", "Pyrogallol 1,3-dimethyl ether" ] }, { "compound_id": "C10788", "inchi": "InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H", "name": "Ellagic acid", "names": [ "Ellagic acid" ] }, { "compound_id": "C10789", "inchi": "InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11?,12?,13-/m0/s1", "name": "Thermospine", "names": [ "(-)-Thermopsine", "Thermospine" ] }, { "compound_id": "C10790", "inchi": "InChI=1S/C15H20N2O/c1-3-5-13-12-8-11(9-16(13)2)14-6-4-7-15(18)17(14)10-12/h3-4,6-7,11-13H,1,5,8-10H2,2H3/t11?,12?,13-/m1/s1", "name": "Tinctorine", "names": [ "Tinctorine" ] }, { "compound_id": "C10791", "inchi": "InChI=1S/C15H20N2O/c1-2-4-13-15-6-3-5-14(18)17(15)9-11-7-12(15)10-16(13)8-11/h2-3,6,11-13H,1,4-5,7-10H2/t11-,12+,13+,15+/m0/s1", "name": "Tsukushinamine A", "names": [ "Tsukushinamine A" ] }, { "compound_id": "C10792", "inchi": "InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2", "name": "Gentisyl alcohol", "names": [ "2,5-Dihydroxybenzyl alcohol", "Gentisyl alcohol" ] }, { "compound_id": "C10793", "inchi": "InChI=1S/C16H22O2/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11,17-18H,4,6,8H2,1-3H3/b13-7+", "name": "Geranylhydroquinone", "names": [ "Geranylhydroquinone" ] }, { "compound_id": "C10794", "inchi": "InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-", "name": "Ginkgoic acid", "names": [ "Ginkgoic acid", "Ginkgolic acid" ] }, { "compound_id": "C10795", "inchi": "InChI=1S/C26H44N2/c1-17(27)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(28(6)7)24(21,2)3/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3/t17-,20+,21+,22+,23-,25+,26-/m0/s1", "name": "Buxamine E", "names": [ "Buxamine E" ] }, { "compound_id": "C10796", "inchi": "InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39?,40?,41?,42?,43+,44-,45-/m0/s1", "name": "alpha-Chaconine", "names": [ "alpha-Chaconine" ] }, { "compound_id": "C10797", "inchi": "InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1", "name": "Cyclobuxine D", "names": [ "Cyclobuxine", "Cyclobuxine D" ] }, { "compound_id": "C10798", "inchi": "InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1", "name": "Cyclopamine", "names": [ "Cyclopamine" ] }, { "compound_id": "C10799", "inchi": "InChI=1S/C27H48N2/c1-18(29(7)8)19-11-13-25(5)21-10-9-20-23(2,3)22(28-6)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h18-22,28H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,24+,25-,26+,27-/m0/s1", "name": "Cycloprotobuxine C", "names": [ "Cycloprotobuxine C" ] }, { "compound_id": "C10800", "inchi": "InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3", "name": "Grevillol", "names": [ "Grevillol" ] }, { "compound_id": "C10801", "inchi": "InChI=1S/C27H48N2O/c1-17(29(7)8)22-18(30)15-25(5)20-10-9-19-23(2,3)21(28-6)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h17-22,28,30H,9-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1", "name": "Cyclovirobuxine C", "names": [ "Cyclovirobuxine C" ] }, { "compound_id": "C10802", "inchi": "InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,18-20,24-25H,2-4,7-17H2,1H3/b6-5-", "name": "5-(Heptadec-12-enyl)resorcinol", "names": [ "5-(Heptadec-12-enyl)resorcinol" ] }, { "compound_id": "C10803", "inchi": "InChI=1S/C50H83NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h20-48,52-63H,5-19H2,1-4H3/t20-,21+,22-,23-,24+,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-,43-,44?,45-,46+,47?,48-,49-,50-/m0/s1", "name": "Demissine", "names": [ "Demissine" ] }, { "compound_id": "C10804", "inchi": "InChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)", "name": "2-(Hydroxymethyl)benzoic acid", "names": [ "2-(Hydroxymethyl)benzoic acid", "2-Hydroxymethylbenzoic acid" ] }, { "compound_id": "C10805", "inchi": "InChI=1S/C27H34O16/c1-38-24-14(41-27-23(36)21(34)19(32)16(9-29)43-27)7-6-12(30)17(24)25(37)39-10-11-4-2-3-5-13(11)40-26-22(35)20(33)18(31)15(8-28)42-26/h2-7,15-16,18-23,26-36H,8-10H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,26-,27-/m1/s1", "name": "Leiocarposide", "names": [ "Leiocarposide" ] }, { "compound_id": "C10806", "inchi": "InChI=1S/C21H35NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12,22H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1", "name": "Funtumine", "names": [ "Funtumine" ] }, { "compound_id": "C10807", "inchi": "InChI=1S/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1", "name": "Germine", "names": [ "Germine" ] }, { "compound_id": "C10808", "inchi": "InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1", "name": "Imperialine", "names": [ "Cevan-6-one, 3,20-dihydroxy-, (3-beta,5-alpha,17-beta)-", "Imperialine", "Kashmirine", "Peiminine" ] }, { "compound_id": "C10809", "inchi": "InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3", "name": "5-Pentadecylresorcinol", "names": [ "5-Pentadecylresorcinol", "Cardol" ] }, { "compound_id": "C10810", "inchi": "InChI=1S/C23H39NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,15,17-21,25H,7-14H2,1-5H3/t15-,17-,18-,19+,20-,21-,22-,23+/m0/s1", "name": "Irehine", "names": [ "Irehine" ] }, { "compound_id": "C10811", "inchi": "InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1", "name": "Jervine", "names": [ "Jervine" ] }, { "compound_id": "C10812", "inchi": "InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2", "name": "Piperonal", "names": [ "Piperonal" ] }, { "compound_id": "C10813", "inchi": "InChI=1S/C25H44N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,17,19-23H,9-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,24-,25+/m0/s1", "name": "Kurchessine", "names": [ "Kurchessine" ] }, { "compound_id": "C10814", "inchi": "InChI=1S/C22H33NO2/c1-13-17-6-7-19-16-5-4-14-12-15(23-3)8-10-21(14,2)18(16)9-11-22(17,19)20(24)25-13/h4,13,15-19,23H,5-12H2,1-3H3/t13-,15-,16+,17+,18-,19-,21-,22-/m0/s1", "name": "Paravallarine", "names": [ "Paravallarine" ] }, { "compound_id": "C10815", "inchi": "InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1", "name": "Protoveratrine A", "names": [ "Protoveratrine A" ] }, { "compound_id": "C10816", "inchi": "InChI=1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1", "name": "Protoveratrine B", "names": [ "Protoveratrine B" ] }, { "compound_id": "C10817", "inchi": "InChI=1S/C27H43NO9/c1-11-4-5-14-24(3,34)16-12(10-28(14)9-11)13-8-25-21(26(13,35)22(33)17(16)30)19(32)18(31)20-23(25,2)7-6-15(29)27(20,36)37-25/h11-22,29-36H,4-10H2,1-3H3/t11-,12-,13-,14-,15-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1", "name": "Protoverine", "names": [ "Protoverine" ] }, { "compound_id": "C10818", "inchi": "InChI=1S/C27H48N2O2/c1-15-11-23(31)25(29-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(28)7-9-26(17,3)20(19)8-10-27(21,24)4/h15-25,29-31H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1", "name": "Solacapine", "names": [ "Solacapine" ] }, { "compound_id": "C10819", "inchi": "InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38?,39?,40?,41?,42-,43+,44+,45-/m1/s1", "name": "Solamargine", "names": [ "Solamargine" ] }, { "compound_id": "C10820", "inchi": "InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40?,41?,42-,43+,44-,45-/m0/s1", "name": "Solanine", "names": [ "Solanine" ] }, { "compound_id": "C10821", "inchi": "InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1", "name": "Solanocapsine", "names": [ "Solanocapsine" ] }, { "compound_id": "C10822", "inchi": "InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1", "name": "Solasodine", "names": [ "Solasodine" ] }, { "compound_id": "C10823", "inchi": "InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1", "name": "Populin", "names": [ "Populin" ] }, { "compound_id": "C10824", "inchi": "InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39?,40?,41+,42-,43+,44+,45-/m1/s1", "name": "Solasonine", "names": [ "Solasonine" ] }, { "compound_id": "C10825", "inchi": "InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1", "name": "Terminaline", "names": [ "Terminaline" ] }, { "compound_id": "C10826", "inchi": "InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1", "name": "Tomatidine", "names": [ "Tomatidine" ] }, { "compound_id": "C10827", "inchi": "InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43?,44-,45+,46?,47-,48-,49-,50-/m0/s1", "name": "Tomatine", "names": [ "Tomatine" ] }, { "compound_id": "C10828", "inchi": "InChI=1S/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27-/m0/s1", "name": "Veracevine", "names": [ "Cevane-3-beta,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-", "Veracevine" ] }, { "compound_id": "C10829", "inchi": "InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1", "name": "Veratramine", "names": [ "Veratramine" ] }, { "compound_id": "C10830", "inchi": "InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1", "name": "Peimine", "names": [ "Peimine", "Verticine" ] }, { "compound_id": "C10831", "inchi": "InChI=1S/C27H43NO7/c1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25/h13-22,29-34H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1", "name": "Zygadenine", "names": [ "Zygadenine" ] }, { "compound_id": "C10832", "inchi": "InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2", "name": "Sesamol", "names": [ "Sesamol" ] }, { "compound_id": "C10833", "inchi": "InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)", "name": "Syringic acid", "names": [ "4-Hydroxy-3,5-dimethoxybenzoate", "Gallic acid 3,5-dimethyl ether", "Syringate", "Syringic acid" ] }, { "compound_id": "C10834", "inchi": "InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1", "name": "Theogallin", "names": [ "Theogallin" ] }, { "compound_id": "C10835", "inchi": "InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-7-6-12(22)8-13(14)19(26)27-10-11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1", "name": "Trichocarpin", "names": [ "Trichocarpin" ] }, { "compound_id": "C10836", "inchi": "InChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3", "name": "3,4,3'-Tri-O-methylellagic acid", "names": [ "3,4,3'-Tri-O-methylellagic acid" ] }, { "compound_id": "C10837", "inchi": "InChI=1S/C13H16O13S/c14-5-1-4(12(19)20)2-6(15)11(5)26-13-10(18)9(17)8(16)7(25-13)3-24-27(21,22)23/h1-2,7-10,13-18H,3H2,(H,19,20)(H,21,22,23)/p-1/t7-,8-,9+,10-,13+/m1/s1", "name": "Turgorin", "names": [ "Turgorin" ] }, { "compound_id": "C10838", "inchi": "InChI=1S/C21H30O3/c1-16(2)6-4-8-18(15-22)9-5-7-17(3)10-11-19-14-20(23)12-13-21(19)24/h6,9-10,12-14,22-24H,4-5,7-8,11,15H2,1-3H3/b17-10+,18-9-", "name": "Turricolol E", "names": [ "Turricolol E" ] }, { "compound_id": "C10839", "inchi": "InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4+,8-7+", "name": "Urushiol III", "names": [ "3-(8,11-Pentadecadienyl)-1,2-benzenediol", "Urushiol III" ] }, { "compound_id": "C10840", "inchi": "InChI=1S/C15H22O4/c1-10(2)5-6-19-14-7-12(8-16)13(9-17)15(18-4)11(14)3/h5,7,16-17H,6,8-9H2,1-4H3", "name": "Zinniol", "names": [ "Zinniol" ] }, { "compound_id": "C10841", "inchi": "InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3", "name": "Anatoxin a", "names": [ "Anatoxin a", "Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-, (1R)-" ] }, { "compound_id": "C10842", "inchi": "InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12?,13-,14-,15?,16?/m0/s1", "name": "Anisodamine", "names": [ "6-Hydroxyhyoscyamine", "Anisodamine" ] }, { "compound_id": "C10843", "inchi": "InChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3", "name": "Apoatropine", "names": [ "Apoatropine" ] }, { "compound_id": "C10844", "inchi": "InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13?,14?,15-,16+", "name": "Apohyoscine", "names": [ "1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester)", "Apohyoscine" ] }, { "compound_id": "C10845", "inchi": "InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23?,24?,25?,26?,27?,28?,30-,34-/m0/s1", "name": "Belladonnine", "names": [ "Belladonnine" ] }, { "compound_id": "C10846", "inchi": "InChI=1S/C12H15NO2/c1-7-6-15-10-5-8-3-4-9(13(8)2)11(10)12(7)14/h6,8-9H,3-5H2,1-2H3", "name": "Bellendine", "names": [ "Bellendine" ] }, { "compound_id": "C10847", "inchi": "InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1", "name": "Benzoylecgonine", "names": [ "Benzoylecgonine" ] }, { "compound_id": "C10848", "inchi": "InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3", "name": "Tropacocaine", "names": [ "Tropacocaine" ] }, { "compound_id": "C10849", "inchi": "InChI=1S/C12H19NO2S2/c1-13-8-2-3-9(13)7-10(6-8)15-12(14)11-4-5-16-17-11/h8-11H,2-7H2,1H3/t8?,9?,10?,11-/m0/s1", "name": "Brugine", "names": [ "Brugine" ] }, { "compound_id": "C10850", "inchi": "InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2/t4?,5-,6-,7?/m1/s1", "name": "Calystegin A3", "names": [ "Calystegin A3", "Calystegine A3" ] }, { "compound_id": "C10851", "inchi": "InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3?,4-,5+,6+,7?/m0/s1", "name": "Calystegin B2", "names": [ "Calystegin B2", "Calystegine B2" ] }, { "compound_id": "C10852", "inchi": "InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14?,15?,16-,18+/m0/s1", "name": "Cinnamoylcocaine", "names": [ "Cinnamoylcocaine" ] }, { "compound_id": "C10853", "inchi": "InChI=1S/C15H19NO3/c1-16-11-5-6-12(16)9-14(8-11)19-15(18)10-3-2-4-13(17)7-10/h2-4,7,11-12,14,17H,5-6,8-9H2,1H3", "name": "Cochlearine", "names": [ "Cochlearine" ] }, { "compound_id": "C10854", "inchi": "InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3", "name": "Convolamine", "names": [ "Convolamine" ] }, { "compound_id": "C10855", "inchi": "InChI=1S/C16H21NO5/c1-20-14-6-3-10(7-15(14)21-2)16(18)22-13-8-11-4-5-12(9-13)17(11)19/h3,6-7,11-13,19H,4-5,8-9H2,1-2H3", "name": "Convoline", "names": [ "Convoline" ] }, { "compound_id": "C10856", "inchi": "InChI=1S/C16H21NO4/c1-19-14-6-3-10(7-15(14)20-2)16(18)21-13-8-11-4-5-12(9-13)17-11/h3,6-7,11-13,17H,4-5,8-9H2,1-2H3", "name": "Convolvine", "names": [ "Convolvine" ] }, { "compound_id": "C10857", "inchi": "InChI=1S/C13H17NO2/c1-7-8(2)16-11-6-9-4-5-10(14(9)3)12(11)13(7)15/h9-10H,4-6H2,1-3H3", "name": "Darlingine", "names": [ "Darlingine" ] }, { "compound_id": "C10858", "inchi": "InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8+/m0/s1", "name": "Ecgonine", "names": [ "Ecgonine" ] }, { "compound_id": "C10859", "inchi": "InChI=1S/C17H23NO3/c1-11(19)21-15-10-13-8-9-14(18(13)2)16(15)17(20)12-6-4-3-5-7-12/h3-7,13-17,20H,8-10H2,1-2H3/t13?,14-,15-,16+,17+/m1/s1", "name": "Knightinol", "names": [ "Knightinol" ] }, { "compound_id": "C10860", "inchi": "InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13?,14?,15?,16-/m1/s1", "name": "Littorine", "names": [ "Littorine" ] }, { "compound_id": "C10861", "inchi": "InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-8-5-9-11(15)12(16)10(6-8)14(9)3/h4,8-12,15-16H,5-6H2,1-3H3/b7-4+/t8-,9?,10?,11-,12+", "name": "Meteloidine", "names": [ "Meteloidine" ] }, { "compound_id": "C10862", "inchi": "InChI=1S/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12?,13?,14?,15-/m1/s1", "name": "Norhyoscyamine", "names": [ "Norhyoscyamine" ] }, { "compound_id": "C10863", "inchi": "InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3", "name": "Phyllalbine", "names": [ "Phyllalbine" ] }, { "compound_id": "C10864", "inchi": "InChI=1S/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3", "name": "Physoperuvine", "names": [ "Physoperuvine" ] }, { "compound_id": "C10865", "inchi": "InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3", "name": "Pseudopelletierine", "names": [ "Pseudopelletierine" ] }, { "compound_id": "C10866", "inchi": "InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3/t4?,5?,6?,7-,8?/m0/s1", "name": "Scopoline", "names": [ "Scopoline" ] }, { "compound_id": "C10867", "inchi": "InChI=1S/C17H19NO2/c1-18-12-7-8-13(18)17-14(19)10-15(20-16(17)9-12)11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12?,13?,15-/m0/s1", "name": "Strobamine", "names": [ "Cyclohepta(6)pyran-5,8-imin-4(5H)-one, 2,3,6,7,8,9-hexahydro-10-methyl-2-phenyl-,(2alpha,5beta,8beta)-(+)-", "Strobamine" ] }, { "compound_id": "C10868", "inchi": "InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+", "name": "Tigloidine", "names": [ "Tigloidine" ] }, { "compound_id": "C10869", "inchi": "InChI=1S/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/t9?,10-,11?,12-/m1/s1", "name": "Valeroidine", "names": [ "Valeroidine" ] }, { "compound_id": "C10870", "inchi": "InChI=1S/C29H30O13/c1-13(31)38-11-16-6-15-8-19(36-2)20(37-3)9-17(15)23(14-4-5-18-21(7-14)40-12-39-18)24(16)28(35)42-29-27(34)26(33)25(32)22(10-30)41-29/h4-9,22,25-27,29-30,32-34H,10-12H2,1-3H3/t22-,25-,26+,27-,29+/m1/s1", "name": "Phyllanthostatin A", "names": [ "Phyllanthostatin A" ] }, { "compound_id": "C10871", "inchi": "InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13?,18-,19-,20+/m1/s1", "name": "Picropodophyllin", "names": [ "Picropodophyllin" ] }, { "compound_id": "C10873", "inchi": "InChI=1S/C20H22O10/c1-29-14-5-10-7-19(27,8-21)20(28,18(25)26)16(11(10)6-12(14)22)9-3-13(23)17(24)15(4-9)30-2/h3-6,16,21-24,27-28H,7-8H2,1-2H3,(H,25,26)/t16-,19+,20+/m0/s1", "name": "Plicatic acid", "names": [ "Plicatic acid" ] }, { "compound_id": "C10874", "inchi": "InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1", "name": "Podophyllotoxin", "names": [ "Podophyllotoxin" ] }, { "compound_id": "C10875", "inchi": "InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1", "name": "Podophyllotoxone", "names": [ "Podophyllotoxone" ] }, { "compound_id": "C10876", "inchi": "InChI=1S/C28H34O13/c1-34-18-8-14(9-19(35-2)26(18)36-3)25(41-28-24(32)23(31)22(30)20(10-29)40-28)21-15(11-37-27(21)33)6-13-4-5-16-17(7-13)39-12-38-16/h4-5,7-9,15,20-25,28-32H,6,10-12H2,1-3H3/t15-,20+,21-,22+,23-,24+,25+,28-/m0/s1", "name": "Podorhizol beta-D-glucoside", "names": [ "Podorhizol beta-D-glucoside" ] }, { "compound_id": "C10877", "inchi": "InChI=1S/C21H14O8/c1-24-19-10-2-11-13(6-25-21(11)23)18(9(10)3-17-20(19)29-8-28-17)12-4-15-16(5-14(12)22)27-7-26-15/h2-5,22H,6-8H2,1H3", "name": "Prostalidin A", "names": [ "Prostalidin A" ] }, { "compound_id": "C10878", "inchi": "InChI=1S/C18H18O3/c1-2-4-13-6-8-17(20)15(11-13)16-12-14(5-3-10-19)7-9-18(16)21/h2-3,5-9,11-12,19-21H,1,4,10H2/b5-3+", "name": "Randainol", "names": [ "Randainol" ] }, { "compound_id": "C10879", "inchi": "InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21+,22+/m0/s1", "name": "Saucernetin", "names": [ "Saucernetin" ] }, { "compound_id": "C10880", "inchi": "InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1", "name": "Savinin", "names": [ "Savinin" ] }, { "compound_id": "C10881", "inchi": "InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1", "name": "Schisantherin A", "names": [ "Schisantherin A" ] }, { "compound_id": "C10882", "inchi": "InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1", "name": "Sesamin", "names": [ "Sesamin" ] }, { "compound_id": "C10883", "inchi": "InChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1", "name": "Sesamolinol", "names": [ "Sesamolinol" ] }, { "compound_id": "C10884", "inchi": "InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20+,21+/m0/s1", "name": "Sesartemin", "names": [ "Sesartemin" ] }, { "compound_id": "C10885", "inchi": "InChI=1S/C26H30O11/c1-31-18-6-12(3-5-17(18)36-26-23(30)22(29)21(28)20(8-27)37-26)24-14-9-33-25(15(14)10-32-24)13-2-4-16-19(7-13)35-11-34-16/h2-7,14-15,20-30H,8-11H2,1H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1", "name": "Simplexoside", "names": [ "Simplexoside" ] }, { "compound_id": "C10886", "inchi": "InChI=1S/C24H24O9/c1-11(25)33-21-14-8-18-17(31-10-32-18)7-13(14)20-12(5-15-16(21)9-30-24(15)26)6-19(27-2)22(28-3)23(20)29-4/h6-8,15-16,21H,5,9-10H2,1-4H3/t15-,16+,21+/m1/s1", "name": "Steganacin", "names": [ "(-)-Steganacin", "Steganacin" ] }, { "compound_id": "C10887", "inchi": "InChI=1S/C20H18O7/c1-23-15-6-11(2-4-13(15)21)19-17-12(8-24-19)18(27-20(17)22)10-3-5-14-16(7-10)26-9-25-14/h2-7,12,17-19,21H,8-9H2,1H3/t12-,17-,18+,19+/m1/s1", "name": "Styraxin", "names": [ "Styraxin" ] }, { "compound_id": "C10888", "inchi": "InChI=1S/C22H28O6/c1-7-8-15-9-10-17(18(11-15)24-3)28-14(2)21(23)16-12-19(25-4)22(27-6)20(13-16)26-5/h7-14,21,23H,1-6H3/b8-7+/t14-,21+/m1/s1", "name": "Surinamensin", "names": [ "Surinamensin" ] }, { "compound_id": "C10889", "inchi": "InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1", "name": "(+)-Syringaresinol", "names": [ "(+)-Syringaresinol" ] }, { "compound_id": "C10890", "inchi": "InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1", "name": "(+)-Syringaresinol O-beta-D-glucoside", "names": [ "(+)-Syringaresinol O-beta-D-glucoside", "Acanthoside B" ] }, { "compound_id": "C10891", "inchi": "InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1", "name": "Trachelogenin", "names": [ "(-)-Trachelogenin", "Trachelogenin" ] }, { "compound_id": "C10892", "inchi": "InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22+/m0/s1", "name": "(+)-Veraguensin", "names": [ "(+)-Veraguensin" ] }, { "compound_id": "C10893", "inchi": "InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+", "name": "Schizandrin C", "names": [ "Schizandrin C", "Wuweizisu C" ] }, { "compound_id": "C10894", "inchi": "InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1", "name": "Yangambin", "names": [ "Lirioresinol-B dimethyl ether", "Yangambin" ] }, { "compound_id": "C10895", "inchi": "InChI=1S/C15H13Cl2N3O2/c1-2-7-22-13-9-12(10(16)8-11(13)17)20-15(21)19-6-4-3-5-14(19)18-20/h1,8-9H,3-7H2", "name": "Azafenidin", "names": [ "Azafenidin" ] }, { "compound_id": "C10896", "inchi": "InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)", "name": "Benomyl", "names": [ "Benlate", "Benomyl" ] }, { "compound_id": "C10897", "inchi": "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)", "name": "Carbendazim", "names": [ "Carbendazim", "Mecarzole" ] }, { "compound_id": "C10898", "inchi": "InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)", "name": "2-Benzimidazolylguanidine", "names": [ "2-Benzimidazolylguanidine" ] }, { "compound_id": "C10899", "inchi": "InChI=1S/C3H6N2O3/c1-8-3(7)5-2(4)6/h1H3,(H3,4,5,6,7)", "name": "Allophanic acid, methyl ester", "names": [ "Allophanic acid, methyl ester" ] }, { "compound_id": "C10900", "inchi": "InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3", "name": "Methyl oxalate", "names": [ "Methyl oxalate" ] }, { "compound_id": "C10901", "inchi": "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)", "name": "2-Aminobenzimidazole", "names": [ "2-Aminobenzimidazole" ] }, { "compound_id": "C10902", "inchi": "InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)", "name": "Methyl 5-hydroxy-2-benzimidazole carbamate", "names": [ "Methyl 5-hydroxy-2-benzimidazole carbamate" ] }, { "compound_id": "C10903", "inchi": "InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/m1/s1", "name": "Cinmethylin", "names": [ "Cinmethylin" ] }, { "compound_id": "C10904", "inchi": "InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3/t12-,15-,17+,20-/m0/s1", "name": "Cabucine", "names": [ "Cabucine" ] }, { "compound_id": "C10905", "inchi": null, "name": "Activated methyl group", "names": [ "Activated methyl group" ] }, { "compound_id": "C10906", "inchi": "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1", "name": "D-Fructose", "names": [ "D-Fructose" ] }, { "compound_id": "C10907", "inchi": "InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3", "name": "Cloransulam-methyl", "names": [ "Cloransulam-methyl" ] }, { "compound_id": "C10908", "inchi": "InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3/b18-14-", "name": "Fluthiacet-methyl", "names": [ "Fluthiacet-methyl" ] }, { "compound_id": "C10909", "inchi": "InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)", "name": "Methabenzthiazuron", "names": [ "Methabenzthiazuron" ] }, { "compound_id": "C10910", "inchi": "InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3", "name": "2-Methylthiobenzothiazole", "names": [ "2-Methylthiobenzothiazole" ] }, { "compound_id": "C10911", "inchi": "InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)", "name": "Bromacil", "names": [ "Bromacil" ] }, { "compound_id": "C10912", "inchi": "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/b17-14-", "name": "Buprofezin", "names": [ "Buprofezin" ] }, { "compound_id": "C10913", "inchi": "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+", "name": "Cycloxydim", "names": [ "Cycloxydim" ] }, { "compound_id": "C10914", "inchi": "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)", "name": "Cyprodinil", "names": [ "Cyprodinil" ] }, { "compound_id": "C10915", "inchi": "InChI=1S/C19H18N4O8/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4/h5-9H,1-4H3,(H,24,25)", "name": "Bispyribac", "names": [ "Bispyribac" ] }, { "compound_id": "C10916", "inchi": "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)", "name": "2-Dimethylamino-5,6-dimethylpyrimidin-4-ol", "names": [ "2-Dimethylamino-5,6-dimethylpyrimidin-4-ol" ] }, { "compound_id": "C10917", "inchi": "InChI=1S/C5H11NS5/c1-6(2)5-3-7-9-11-10-8-4-5/h5H,3-4H2,1-2H3", "name": "7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctane", "names": [ "7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctane", "PTCA" ] }, { "compound_id": "C10918", "inchi": "InChI=1S/C14H17NO2/c1-3-11-4-2-6-14(13(11)5-1)17-10-12-9-15-7-8-16-12/h1-4,6,12,15H,5,7-10H2", "name": "Indeloxazine", "names": [ "Indeloxazine" ] }, { "compound_id": "C10919", "inchi": "InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)", "name": "Mepanipyrim", "names": [ "Mepanipyrim" ] }, { "compound_id": "C10920", "inchi": "InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2", "name": "Glycidol", "names": [ "Glycidol" ] }, { "compound_id": "C10921", "inchi": "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3", "name": "Butyl acrylate", "names": [ "Butyl acrylate" ] }, { "compound_id": "C10922", "inchi": "InChI=1S/C3H8O3S3/c4-9(5,6)2-3(8)1-7/h3,7-8H,1-2H2,(H,4,5,6)", "name": "2,3-Dimercaptopropane-1-sulfonic acid", "names": [ "2,3-Dimercaptopropane-1-sulfonic acid", "DMPS" ] }, { "compound_id": "C10923", "inchi": "InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2", "name": "2-Nitrofluorene", "names": [ "2-Nitrofluorene", "NF" ] }, { "compound_id": "C10924", "inchi": "InChI=1S/C13H9NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7,13,15H", "name": "9-Hydroxy-2-nitrofluorene", "names": [ "9-Hydroxy-2-nitrofluorene", "9-OHNF" ] }, { "compound_id": "C10925", "inchi": "InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3", "name": "Acetochlor", "names": [ "Acetochlor" ] }, { "compound_id": "C10926", "inchi": "InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3", "name": "Hexazinone", "names": [ "Hexazinone" ] }, { "compound_id": "C10927", "inchi": "InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)", "name": "Irgarol 1051", "names": [ "Irgarol 1051" ] }, { "compound_id": "C10928", "inchi": "InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3", "name": "Alachlor", "names": [ "Alachlor" ] }, { "compound_id": "C10929", "inchi": "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3", "name": "Benalaxyl", "names": [ "Benalaxyl" ] }, { "compound_id": "C10930", "inchi": "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3", "name": "Metamitron", "names": [ "Goltix", "Metamitron" ] }, { "compound_id": "C10931", "inchi": "InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3", "name": "Butachlor", "names": [ "Butachlor" ] }, { "compound_id": "C10932", "inchi": "InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)", "name": "Carpropamid", "names": [ "Carpropamid" ] }, { "compound_id": "C10933", "inchi": "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)", "name": "Amidosulfuron", "names": [ "Amidosulfuron" ] }, { "compound_id": "C10934", "inchi": "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)", "name": "2,6-Dichlorobenzamide", "names": [ "2,6-Dichlorobenzamide", "DCB" ] }, { "compound_id": "C10935", "inchi": "InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3", "name": "N,N-Diethyl-m-toluamide", "names": [ "DEET", "Diethyltoluamide", "N,N-Diethyl-m-toluamide" ] }, { "compound_id": "C10936", "inchi": "InChI=1S/C21H27N3O2/c1-5-24(6-2)14-19(25)22-18-12-10-17(11-13-18)21(26)23-20-15(3)8-7-9-16(20)4/h7-13H,5-6,14H2,1-4H3,(H,22,25)(H,23,26)", "name": "N-(2,6-Dimethylphenyl)-4-[[(diethylamino)acetyl]amino]benzamide", "names": [ "DEGA", "N-(2,6-Dimethylphenyl)-4-[[(diethylamino)acetyl]amino]benzamide" ] }, { "compound_id": "C10937", "inchi": "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)", "name": "Bensulfuron-methyl", "names": [ "Bensulfuron methyl", "Bensulfuron-methyl", "Methyl bensulfuron" ] }, { "compound_id": "C10938", "inchi": "InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3", "name": "N,N-Diethylphenylacetamide", "names": [ "DEPA", "N,N-Diethylphenylacetamide" ] }, { "compound_id": "C10939", "inchi": "InChI=1S/C19H20F3NO3/c1-5-23(2)18(24)14-8-7-13(19(20,21)22)11-15(14)12-6-9-16(25-3)17(10-12)26-4/h6-11H,5H2,1-4H3", "name": "N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(3,4-dimethoxyphenyl)benzamide", "names": [ "EMTDB", "N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(3,4-dimethoxyphenyl)benzamide" ] }, { "compound_id": "C10940", "inchi": "InChI=1S/C21H26N2O2/c1-2-23-15-9-14-19(23)16-22-20(24)21(25,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,25H,2,9,14-16H2,1H3,(H,22,24)", "name": "Epicainide", "names": [ "Epicainide" ] }, { "compound_id": "C10941", "inchi": "InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3", "name": "Furalaxyl", "names": [ "Furalaxyl" ] }, { "compound_id": "C10942", "inchi": "InChI=1S/C19H15ClN2O2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13/h1-12,18,23H,(H,22,24)", "name": "Inabenfide", "names": [ "Inabenfide" ] }, { "compound_id": "C10943", "inchi": "InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)", "name": "Chlorimuron-ethyl", "names": [ "Chlorimuron ethyl", "Chlorimuron-ethyl" ] }, { "compound_id": "C10944", "inchi": "InChI=1S/C16H21NO/c1-14(2)13-17-16(18)12-8-4-7-11-15-9-5-3-6-10-15/h3-10,12,14H,11,13H2,1-2H3,(H,17,18)/b7-4+,12-8+", "name": "Isobutylphendienamide", "names": [ "Isobutylphendienamide" ] }, { "compound_id": "C10945", "inchi": "InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+", "name": "Caffeic aldehyde", "names": [ "3,4-Dihydroxycinnamaldehyde", "Caffeic aldehyde", "Caffeyl aldehyde" ] }, { "compound_id": "C10946", "inchi": "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)", "name": "Metsulfuron-methyl", "names": [ "Metsulfuron methyl", "Metsulfuron-methyl" ] }, { "compound_id": "C10947", "inchi": "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3", "name": "Metalaxyl", "names": [ "Metalaxyl" ] }, { "compound_id": "C10948", "inchi": "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3", "name": "Metazachlor", "names": [ "Metazachlor" ] }, { "compound_id": "C10949", "inchi": "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)", "name": "Nicosulfuron", "names": [ "Nicosulfuron" ] }, { "compound_id": "C10950", "inchi": "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)", "name": "Prosulfuron", "names": [ "Prosulfuron" ] }, { "compound_id": "C10951", "inchi": "InChI=1S/C20H16ClF3N2O2S/c1-12-18(21)19(29-25-12)26(2)17(27)11-13-3-7-15(8-4-13)28-16-9-5-14(6-10-16)20(22,23)24/h3-10H,11H2,1-2H3", "name": "N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]phenyl]acetamide", "names": [ "ITOPA", "N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]phenyl]acetamide" ] }, { "compound_id": "C10952", "inchi": "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)", "name": "Rimsulfuron", "names": [ "Rimsulfuron" ] }, { "compound_id": "C10953", "inchi": "InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3", "name": "Metolachlor", "names": [ "Metolachlor" ] }, { "compound_id": "C10954", "inchi": "InChI=1S/C19H17NO2/c1-14(19(21)20-17-9-3-2-4-10-17)22-18-12-11-15-7-5-6-8-16(15)13-18/h2-14H,1H3,(H,20,21)", "name": "Naproanilide", "names": [ "Naproanilide" ] }, { "compound_id": "C10955", "inchi": "InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)", "name": "Sulfometuron methyl", "names": [ "Sulfometuron methyl" ] }, { "compound_id": "C10956", "inchi": "InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)", "name": "Oxycarboxin", "names": [ "Oxycarboxin" ] }, { "compound_id": "C10957", "inchi": "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)", "name": "Thifensulfuron-methyl", "names": [ "Thifensulfuron methyl", "Thifensulfuron-methyl" ] }, { "compound_id": "C10958", "inchi": "InChI=1S/C15H13N3O2/c1-18-9-5-8-13(18)14(19)12(10-16)15(20)17-11-6-3-2-4-7-11/h2-9,12H,1H3,(H,17,20)", "name": "Prinomide", "names": [ "Prinomide" ] }, { "compound_id": "C10959", "inchi": "InChI=1S/C16H18ClNO2S/c1-11-5-4-6-12(2)16(11)18(15(19)9-17)10-14-13(20-3)7-8-21-14/h4-8H,9-10H2,1-3H3", "name": "Thenylchlor", "names": [ "NSK-850", "Thenylchlor" ] }, { "compound_id": "C10960", "inchi": "InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)", "name": "Triforine", "names": [ "Triforine" ] }, { "compound_id": "C10961", "inchi": "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)", "name": "Triasulfuron", "names": [ "Triasulfuron" ] }, { "compound_id": "C10962", "inchi": "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)", "name": "Tribenuron methyl", "names": [ "Tribenuron methyl", "Tribenuron-methyl" ] }, { "compound_id": "C10963", "inchi": "InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)", "name": "Terbacil", "names": [ "Terbacil" ] }, { "compound_id": "C10964", "inchi": "InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3", "name": "Benoxacor", "names": [ "Benoxacor" ] }, { "compound_id": "C10965", "inchi": "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3", "name": "Bentazone", "names": [ "Bentazone" ] }, { "compound_id": "C10966", "inchi": "InChI=1S/C17H19ClN2OS/c1-20(2,21)11-5-10-19-14-6-3-4-7-16(14)22-17-9-8-13(18)12-15(17)19/h3-4,6-9,12H,5,10-11H2,1-2H3", "name": "Chlorpromazine N-oxide", "names": [ "Chlorpromazine N-oxide" ] }, { "compound_id": "C10967", "inchi": "InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3", "name": "Fluperlapine", "names": [ "Fluperlapine" ] }, { "compound_id": "C10968", "inchi": "InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)", "name": "Idazoxan", "names": [ "Idazoxan" ] }, { "compound_id": "C10969", "inchi": "InChI=1S/C18H15ClN2O4/c1-2-10-25-14-5-3-4-13-15(14)17(22)16(18(23)24)20-21(13)12-8-6-11(19)7-9-12/h3-9H,2,10H2,1H3,(H,23,24)", "name": "SC-1271", "names": [ "1-(4'-Chlorophenyl)-1,4-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid", "SC-1271" ] }, { "compound_id": "C10970", "inchi": "InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3", "name": "SK&F 86466", "names": [ "SK&F 86466" ] }, { "compound_id": "C10971", "inchi": "InChI=1S/C14H12BrNO2/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)14(17)18-13/h5-8H,1-4H2/b16-13-", "name": "Isoimide", "names": [ "Isoimide", "N-(Bromophenyl)-3,4,5,6-tetrahydroisophthalimide" ] }, { "compound_id": "C10972", "inchi": "InChI=1S/C14H12BrNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h5-8H,1-4H2", "name": "Imide", "names": [ "Imide", "N-(4-Bromophenyl)-3,4,5,6-tetrahydrophthalimide" ] }, { "compound_id": "C10973", "inchi": "InChI=1S/C12H12BrN3OS/c13-9-3-5-10(6-4-9)14-11-15-7-1-2-8-16(15)12(17)18-11/h3-6H,1-2,7-8H2/b14-11-", "name": "Thiadiazolidinone", "names": [ "5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidin-2-one", "Thiadiazolidinone" ] }, { "compound_id": "C10974", "inchi": "InChI=1S/C5H11NO/c1-6-4-2-3-5-7/h5-6H,2-4H2,1H3", "name": "4-Methylaminobutanal", "names": [ "4-Methylaminobutanal" ] }, { "compound_id": "C10975", "inchi": "InChI=1S/C12H12BrN3OS/c13-9-3-5-10(6-4-9)16-11(17)14-7-1-2-8-15(14)12(16)18/h3-6H,1-2,7-8H2", "name": "Triazolidinonethione", "names": [ "4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidin-3-one-5-thione", "Triazolidinonethione" ] }, { "compound_id": "C10976", "inchi": "InChI=1S/C7H12O2/c1-6-4-2-3-5-9-7(6)8/h6H,2-5H2,1H3", "name": "1-Oxa-2-oxo-3-methylcycloheptane", "names": [ "1-Oxa-2-oxo-3-methylcycloheptane" ] }, { "compound_id": "C10977", "inchi": "InChI=1S/C12H12BrN3S2/c13-9-3-5-10(6-4-9)14-11-15-7-1-2-8-16(15)12(17)18-11/h3-6H,1-2,7-8H2/b14-11-", "name": "Thiadiazolidinethione", "names": [ "5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidine-2-thione", "Thiadiazolidinethione" ] }, { "compound_id": "C10978", "inchi": "InChI=1S/C12H12BrN3S2/c13-9-3-5-10(6-4-9)16-11(17)14-7-1-2-8-15(14)12(16)18/h3-6H,1-2,7-8H2", "name": "Triazolidinedithione", "names": [ "4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidine-3,5-dithione", "Triazolidinedithione" ] }, { "compound_id": "C10979", "inchi": "InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3", "name": "Chlozolinate", "names": [ "Chlozolinate", "Dichlozolinate" ] }, { "compound_id": "C10980", "inchi": "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-", "name": "Bifenthrin", "names": [ "Bifenthrin" ] }, { "compound_id": "C10981", "inchi": "InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3", "name": "Vinclozolin", "names": [ "Vinclozolin" ] }, { "compound_id": "C10982", "inchi": "InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3", "name": "Cyfluthrin", "names": [ "Cyfluthrin" ] }, { "compound_id": "C10983", "inchi": "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-", "name": "Cyhalothrin", "names": [ "Cyhalothrin" ] }, { "compound_id": "C10984", "inchi": "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3", "name": "Cypermethrin", "names": [ "Cypermethrin" ] }, { "compound_id": "C10985", "inchi": "InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1", "name": "Deltamethrin", "names": [ "Decamethrin", "Deltamethrin" ] }, { "compound_id": "C10986", "inchi": "InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3", "name": "Procymidone", "names": [ "Procymidone" ] }, { "compound_id": "C10987", "inchi": "InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2", "name": "N-(3,5-Dichlorophenyl)succinimide", "names": [ "N-(3,5-Dichlorophenyl)succinimide", "NDPS" ] }, { "compound_id": "C10988", "inchi": "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3", "name": "Fenvalerate", "names": [ "Fenvalerate", "Pydrin" ] }, { "compound_id": "C10989", "inchi": "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3", "name": "Fluvalinate", "names": [ "Fluvalinate" ] }, { "compound_id": "C10990", "inchi": "InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3", "name": "Flumiclorac pentyl", "names": [ "Flumiclorac pentyl", "S-23031" ] }, { "compound_id": "C10991", "inchi": "InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3", "name": "Resmethrin", "names": [ "Resmethrin" ] }, { "compound_id": "C10992", "inchi": "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-", "name": "Tefluthrin", "names": [ "Tefluthrin" ] }, { "compound_id": "C10993", "inchi": "InChI=1S/C18H15ClFNO3/c1-3-10(2)24-16-9-15(14(20)8-13(16)19)21-17(22)11-6-4-5-7-12(11)18(21)23/h1,8-10H,4-7H2,2H3", "name": "Flumipropyn", "names": [ "Flumipropyn", "S-23121" ] }, { "compound_id": "C10994", "inchi": "InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+", "name": "Hydramethylnon", "names": [ "Amdro", "Hydramethylnon" ] }, { "compound_id": "C10995", "inchi": "InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3/b20-12+,21-13+", "name": "Amitraz", "names": [ "Amitraz", "Mitac" ] }, { "compound_id": "C10996", "inchi": "InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)", "name": "Daminozide", "names": [ "Daminozide" ] }, { "compound_id": "C10997", "inchi": "InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)", "name": "Guazatine", "names": [ "Guazatine", "Iminoctadine" ] }, { "compound_id": "C10998", "inchi": "InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2", "name": "4-Aminobiphenyl", "names": [ "4-Aminobiphenyl" ] }, { "compound_id": "C10999", "inchi": "InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2", "name": "4,4'-Methylene-bis-(2-chloroaniline)", "names": [ "4,4'-Methylene-bis-(2-chloroaniline)", "MOCA", "Methylenebis(chloroaniline)" ] }, { "compound_id": "C11000", "inchi": "InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2", "name": "Dichloran", "names": [ "2,6-Dichloro-4-nitroaniline", "DCNA", "Dichloran", "Dicloran" ] }, { "compound_id": "C11001", "inchi": "InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3", "name": "2,6-Diethylaniline", "names": [ "2,6-Diethylaniline", "DEA" ] }, { "compound_id": "C11002", "inchi": "InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)", "name": "Isofenphos", "names": [ "Isofenphos" ] }, { "compound_id": "C11003", "inchi": "InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3", "name": "2,4-Xylidine", "names": [ "2,4-DMA", "2,4-Dimethylaniline", "2,4-Xylidine" ] }, { "compound_id": "C11004", "inchi": "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3", "name": "2,6-Dimethylaniline", "names": [ "2,6-DMA", "2,6-Dimethylaniline", "2,6-Xylidine" ] }, { "compound_id": "C11005", "inchi": "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)", "name": "Isoproturon", "names": [ "Isoproturon" ] }, { "compound_id": "C11006", "inchi": "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3", "name": "2,4-Dinitrotoluene", "names": [ "2,4-DNT", "2,4-Dinitrotoluene" ] }, { "compound_id": "C11007", "inchi": "InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)", "name": "Linuron", "names": [ "Linuron" ] }, { "compound_id": "C11008", "inchi": "InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3", "name": "2,6-Dinitrotoluene", "names": [ "2,6-DNT", "2,6-Dinitrotoluene" ] }, { "compound_id": "C11009", "inchi": "InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)", "name": "Chlorbromuron", "names": [ "Chlorbromuron" ] }, { "compound_id": "C11010", "inchi": "InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2", "name": "2-Fluoroaniline", "names": [ "2-Fluoroaniline", "o-Fluoroaniline" ] }, { "compound_id": "C11011", "inchi": "InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)", "name": "Metoxuron", "names": [ "Dosanex", "Metoxuron" ] }, { "compound_id": "C11012", "inchi": "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)", "name": "Pencycuron", "names": [ "Pencycuron" ] }, { "compound_id": "C11013", "inchi": "InChI=1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2", "name": "3-Fluoroaniline", "names": [ "3-Fluoroaniline", "m-Fluoroaniline" ] }, { "compound_id": "C11014", "inchi": "InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2", "name": "4-Fluoroaniline", "names": [ "4-Fluoroaniline", "p-Fluoroaniline" ] }, { "compound_id": "C11015", "inchi": "InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+", "name": "Aldicarb", "names": [ "Aldicarb" ] }, { "compound_id": "C11016", "inchi": "InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H", "name": "Diphenylamine", "names": [ "Diphenylamine" ] }, { "compound_id": "C11017", "inchi": "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+", "name": "Kresoxim-methyl", "names": [ "BAS 490 F", "Kresoxim-methyl" ] }, { "compound_id": "C11018", "inchi": "InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3", "name": "Azinphos-methyl", "names": [ "Azinphos methyl", "Azinphos-methyl" ] }, { "compound_id": "C11019", "inchi": "InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3", "name": "Pendimethalin", "names": [ "Pendimethalin" ] }, { "compound_id": "C11020", "inchi": "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)", "name": "2,4-DP", "names": [ "2,4-DP", "2-(2,4-Dichlorophenoxy)propionic acid", "Dichlorprop" ] }, { "compound_id": "C11021", "inchi": "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3", "name": "Diclofop methyl", "names": [ "Diclofop methyl" ] }, { "compound_id": "C11022", "inchi": "InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)", "name": "Butamifos", "names": [ "Butamifos", "Cremart" ] }, { "compound_id": "C11023", "inchi": "InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-12-7-8-13(15(16)17)10(3)9-12/h7-9,11H,5-6H2,1-4H3,(H,14,21)", "name": "O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate", "names": [ "O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate" ] }, { "compound_id": "C11024", "inchi": "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3", "name": "Fenoxaprop-ethyl", "names": [ "Fenoxaprop ethyl", "Fenoxaprop-ethyl" ] }, { "compound_id": "C11025", "inchi": "InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3", "name": "Coumaphos", "names": [ "Coumaphos" ] }, { "compound_id": "C11026", "inchi": "InChI=1S/C28H32Cl2O10P2S2/c1-7-33-41(43,34-8-2)39-17-11-13-19-21(15-17)37-23(31)27(29)25(19,5)28(30)24(32)38-22-16-18(12-14-20(22)26(27,28)6)40-42(44,35-9-3)36-10-4/h11-16H,7-10H2,1-6H3/t25-,26+,27+,28-/m0/s1", "name": "Coumaphos anti-dimer", "names": [ "Coumaphos anti-dimer" ] }, { "compound_id": "C11027", "inchi": "InChI=1S/C28H32Cl2O10P2S2/c1-7-33-41(43,34-8-2)39-17-11-13-19-21(15-17)37-23(31)27(29)25(19,5)28(30)24(32)38-22-16-18(12-14-20(22)26(27,28)6)40-42(44,35-9-3)36-10-4/h11-16H,7-10H2,1-6H3/t25-,26+,27-,28+/m0/s1", "name": "Coumaphos syn-dimer", "names": [ "Coumaphos syn-dimer" ] }, { "compound_id": "C11028", "inchi": "InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3", "name": "Phosalone", "names": [ "Agria 1060 A", "Phosalone" ] }, { "compound_id": "C11029", "inchi": "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3", "name": "Fluazifop butyl", "names": [ "Fluazifop butyl" ] }, { "compound_id": "C11030", "inchi": "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3", "name": "Quinalphos", "names": [ "Quinalphos" ] }, { "compound_id": "C11031", "inchi": "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3", "name": "Haloxyfop methyl", "names": [ "Haloxyfop methyl" ] }, { "compound_id": "C11032", "inchi": "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)", "name": "Trichlopyr", "names": [ "Trichlopyr", "Triclopyr" ] }, { "compound_id": "C11033", "inchi": "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)", "name": "1-Aminomethylphosphonic acid", "names": [ "(aminomethyl)phosphonate", "1-Aminomethylphosphonic acid", "AMPA" ] }, { "compound_id": "C11034", "inchi": "InChI=1S/C21H18ClNO3/c22-15-7-5-14(6-8-15)13-26-17-11-9-16(10-12-17)23-20(24)18-3-1-2-4-19(18)21(23)25/h5-12H,1-4,13H2", "name": "MK-129", "names": [ "MK-129" ] }, { "compound_id": "C11035", "inchi": "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2", "name": "S-53482", "names": [ "Flumioxazin", "S-53482" ] }, { "compound_id": "C11036", "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H", "name": "Bromobenzene", "names": [ "Bromobenzene" ] }, { "compound_id": "C11037", "inchi": "InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14", "name": "Chlorothalonil", "names": [ "Chlorothalonil", "Daconil", "TPN", "Tetrachloroisophthalonitrile" ] }, { "compound_id": "C11038", "inchi": "InChI=1S/C10H17N3O11P2/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(23-8)4-22-26(20,21)24-25(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1", "name": "2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate", "names": [ "2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate" ] }, { "compound_id": "C11039", "inchi": "InChI=1S/C10H18N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1", "name": "2'-Deoxy-5-hydroxymethylcytidine-5'-triphosphate", "names": [ "2'-Deoxy-5-hydroxymethylcytidine-5'-triphosphate" ] }, { "compound_id": "C11040", "inchi": "InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H", "name": "Dichlobenil", "names": [ "2,6-Dichlorobenzonitrile", "Dichlobenil" ] }, { "compound_id": "C11041", "inchi": "InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)", "name": "Chlorthiamid", "names": [ "2,6-Dichlorothiobenzamide", "Chlorthiamid" ] }, { "compound_id": "C11042", "inchi": "InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9", "name": "Hexachlorobenzene", "names": [ "HCB", "Hexachlorobenzene" ] }, { "compound_id": "C11043", "inchi": "InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3", "name": "Methoxychlor", "names": [ "Methoxychlor" ] }, { "compound_id": "C11044", "inchi": "InChI=1S/C12H5Cl5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H", "name": "2,2',4,4',5-Pentachlorodiphenyl ether", "names": [ "2,2',4,4',5-Pentachlorodiphenyl ether" ] }, { "compound_id": "C11045", "inchi": "InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)", "name": "Aspartame", "names": [ "Aspartame" ] }, { "compound_id": "C11047", "inchi": "InChI=1S/C35H44O16/c1-8-15(2)24(37)49-18-12-19(48-16(3)36)32(26(38)43-6)13-46-21-22(32)31(18)14-47-34(41,27(39)44-7)25(31)29(4)23(21)51-30(5)17-11-20(35(29,30)42)50-28-33(17,40)9-10-45-28/h8-10,17-23,25,28,40-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30-,31+,32+,33+,34+,35+/m1/s1", "name": "3-Acetyl-1-tigloylazadirachtinin", "names": [ "3-Acetyl-1-tigloylazadirachtinin", "Azadirachtinin" ] }, { "compound_id": "C11048", "inchi": "InChI=1S/C10H9NOS/c1-13-10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3", "name": "Brassicanal A", "names": [ "Brassicanal A" ] }, { "compound_id": "C11049", "inchi": "InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1", "name": "24-epi-Brassinolide", "names": [ "24-epi-Brassinolide" ] }, { "compound_id": "C11050", "inchi": "InChI=1S/C28H48O7/c1-14(23(31)24(32)15(2)26(3,4)34)17-7-8-18-16-13-35-25(33)20-11-21(29)22(30)12-28(20,6)19(16)9-10-27(17,18)5/h14-24,29-32,34H,7-13H2,1-6H3/t14-,15-,16-,17+,18-,19-,20+,21-,22+,23+,24+,27+,28+/m0/s1", "name": "25-Hydroxy-24-epi-brassinolide", "names": [ "25-Hydroxy-24-epi-brassinolide" ] }, { "compound_id": "C11051", "inchi": "InChI=1S/C28H48O7/c1-14(12-29)15(2)24(32)25(33)16(3)18-6-7-19-17-13-35-26(34)21-10-22(30)23(31)11-28(21,5)20(17)8-9-27(18,19)4/h14-25,29-33H,6-13H2,1-5H3/t14?,15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1", "name": "26-Hydroxy-24-epi-brassinolide", "names": [ "26-Hydroxy-24-epi-brassinolide" ] }, { "compound_id": "C11052", "inchi": "InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3", "name": "7-Ethoxycoumarin", "names": [ "7-Ethoxycoumarin" ] }, { "compound_id": "C11053", "inchi": "InChI=1S/C21H26O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h8-13,20H,6-7H2,1-5H3/t13-,20+,21+/m1/s1", "name": "9,10-Dihydrokadsurenone", "names": [ "9,10-Dihydrokadsurenone" ] }, { "compound_id": "C11054", "inchi": "InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1", "name": "Spinosyn A", "names": [ "Spinosyn A" ] }, { "compound_id": "C11055", "inchi": "InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41-5)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)38(45-7)37(44-6)23(4)48-40/h13-14,19,21-30,32-33,35,37-41H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1", "name": "Spinosyn B", "names": [ "Spinosyn B" ] }, { "compound_id": "C11056", "inchi": "InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1", "name": "Spinosyn D", "names": [ "Spinosyn D" ] }, { "compound_id": "C11057", "inchi": "InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H", "name": "3,4,3',4'-Tetrachlorobiphenyl", "names": [ "3,4,3',4'-Tetrachlorobiphenyl", "PCB 77" ] }, { "compound_id": "C11058", "inchi": "InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H", "name": "1,2,3,4-Tetrachlorodibenzodioxin", "names": [ "1,2,3,4-TCDD", "1,2,3,4-Tetrachlorodibenzo-p-dioxin", "1,2,3,4-Tetrachlorodibenzodioxin" ] }, { "compound_id": "C11059", "inchi": "InChI=1S/C12H4Cl4O2/c13-5-1-7(15)11-9(3-5)18-12-8(16)2-6(14)4-10(12)17-11/h1-4H", "name": "1,3,6,8-Tetrachlorodibenzo-p-dioxin", "names": [ "1,3,6,8-TCDD", "1,3,6,8-Tetrachlorodibenzo-p-dioxin", "1,3,6,8-Tetrachlorodibenzodioxin" ] }, { "compound_id": "C11060", "inchi": "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m0/s1", "name": "(-)-Abscisic acid", "names": [ "(-)-ABA", "(-)-Abscisic acid" ] }, { "compound_id": "C11061", "inchi": "InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1", "name": "all-trans-Retinoyl-beta-glucuronide", "names": [ "Retinoyl glucuronide", "all-trans-Retinoyl-beta-glucuronide" ] }, { "compound_id": "C11062", "inchi": "InChI=1S/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,33,36-37H,3-11H2,1-2H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1", "name": "4-Hydroxybutyryl-CoA", "names": [ "4-Hydroxybutanoyl-CoA", "4-Hydroxybutyryl-CoA" ] }, { "compound_id": "C11063", "inchi": "InChI=1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H", "name": "Chlornitrofen", "names": [ "2,4,6-Trichlorophenyl 4-nitrophenyl ether", "Chlornitrofen", "MC-338" ] }, { "compound_id": "C11064", "inchi": "InChI=1S/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H", "name": "Fluorodifen", "names": [ "Fluorodifen", "Preforan" ] }, { "compound_id": "C11065", "inchi": "InChI=1/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H", "name": "Nitrofen", "names": [ "Nitrofen" ] }, { "compound_id": "C11066", "inchi": "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3", "name": "Bifenox", "names": [ "Bifenox", "MC-4379" ] }, { "compound_id": "C11067", "inchi": "InChI=1S/C14H8Cl3NO5/c1-22-14(19)9-6-8(2-3-12(9)18(20)21)23-13-10(16)4-7(15)5-11(13)17/h2-6H,1H3", "name": "MC-3761", "names": [ "MC-3761" ] }, { "compound_id": "C11068", "inchi": "InChI=1S/C15H11Cl2NO5/c1-2-22-15(19)11-8-10(4-5-13(11)18(20)21)23-14-6-3-9(16)7-12(14)17/h3-8H,2H2,1H3", "name": "MC-5127", "names": [ "MC-5127" ] }, { "compound_id": "C11069", "inchi": "InChI=1S/C14H9ClFNO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(16)6-11(13)15/h2-7H,1H3", "name": "MC-6063", "names": [ "MC-6063" ] }, { "compound_id": "C11070", "inchi": "InChI=1S/C14H8Cl2FNO5/c1-22-14(19)9-6-8(2-3-12(9)18(20)21)23-13-10(16)4-7(15)5-11(13)17/h2-6H,1H3", "name": "MC-7181", "names": [ "MC-7181" ] }, { "compound_id": "C11071", "inchi": "InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)", "name": "Aminocarb", "names": [ "Aminocarb", "Matacil" ] }, { "compound_id": "C11072", "inchi": "InChI=1S/C6H10O2S/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8)", "name": "THTA", "names": [ "2-Tetrahydrothiopheneacetic acid", "THTA" ] }, { "compound_id": "C11073", "inchi": "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3", "name": "Benfuracarb", "names": [ "Benfuracarb" ] }, { "compound_id": "C11074", "inchi": "InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)", "name": "THTC", "names": [ "2-n-Tetrahydrothiophenecarboxylic acid", "THTC" ] }, { "compound_id": "C11075", "inchi": "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1", "name": "Carbetamide", "names": [ "Carbetamide" ] }, { "compound_id": "C11076", "inchi": "InChI=1S/C16H32S/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17-16/h16H,2-15H2,1H3", "name": "2-N-Dodecyltetrahydrothiophene", "names": [ "2-N-Dodecyltetrahydrothiophene", "DTHT" ] }, { "compound_id": "C11077", "inchi": "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)", "name": "Diethofencarb", "names": [ "Diethofencarb" ] }, { "compound_id": "C11078", "inchi": "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)", "name": "Fenoxycarb", "names": [ "Fenoxycarb" ] }, { "compound_id": "C11079", "inchi": "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3", "name": "Pirimicarb", "names": [ "Pirimicarb" ] }, { "compound_id": "C11080", "inchi": "InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)", "name": "Cartap", "names": [ "Cartap" ] }, { "compound_id": "C11081", "inchi": "InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3", "name": "EPTC", "names": [ "EPTC", "S-Ethyl dipropylthiocarbamate" ] }, { "compound_id": "C11082", "inchi": "InChI=1S/C15H30S/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h15H,2-14H2,1H3", "name": "2-N-Undecyltetrahydrothiophene", "names": [ "2-N-Undecyltetrahydrothiophene", "UTHT" ] }, { "compound_id": "C11083", "inchi": null, "name": "Assert", "names": [ "2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or 5)-methylbenzoic acid methyl ester", "Assert", "Imazamethabenz", "Imazamethabenz-methyl" ] }, { "compound_id": "C11084", "inchi": "InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3", "name": "Fenothiocarb", "names": [ "Fenothiocarb" ] }, { "compound_id": "C11085", "inchi": "InChI=1S/C13H19NO3S/c1-14(2)13(15)18(16)11-7-6-10-17-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3", "name": "Fenothiocarb sulfoxide", "names": [ "Fenothiocarb sulfoxide" ] }, { "compound_id": "C11086", "inchi": "InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3", "name": "Molinate", "names": [ "Molinate", "Ordram" ] }, { "compound_id": "C11087", "inchi": "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3", "name": "Orbencarb", "names": [ "Orbencarb" ] }, { "compound_id": "C11088", "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2", "name": "1,2-Dibromoethane", "names": [ "1,2-Dibromoethane", "Ethylene dibromide" ] }, { "compound_id": "C11089", "inchi": "InChI=1S/C2Cl2/c3-1-2-4", "name": "Dichloroacetylene", "names": [ "Dichloroacetylene" ] }, { "compound_id": "C11090", "inchi": "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2", "name": "Endosulfan", "names": [ "Benzoepin", "Endosulfan" ] }, { "compound_id": "C11091", "inchi": "InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10", "name": "Hexachloro-1,3-butadiene", "names": [ "HCBD", "Hexachloro-1,3-butadiene", "Hexachlorobutadiene" ] }, { "compound_id": "C11092", "inchi": "InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1", "name": "Azocyclotin", "names": [ "Azocyclotin" ] }, { "compound_id": "C11093", "inchi": "InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/q;;;;+1/p-1", "name": "Cyhexatin", "names": [ "Cyhexatin" ] }, { "compound_id": "C11094", "inchi": "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3", "name": "Carfentrazone-ethyl", "names": [ "Carfentrazone-ethyl" ] }, { "compound_id": "C11095", "inchi": "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3", "name": "Clomazone", "names": [ "Clomazone", "FMC57020" ] }, { "compound_id": "C11096", "inchi": "InChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15/h2-11,13H,1,12H2", "name": "Croconazole", "names": [ "Croconazole" ] }, { "compound_id": "C11097", "inchi": "InChI=1S/C12H14ClF2N5O3S/c1-2-24(22,23)16-10-7-11(9(15)6-8(10)13)20-12(21)19(17-18-20)5-3-4-14/h6-7,16H,2-5H2,1H3", "name": "F5231", "names": [ "F5231" ] }, { "compound_id": "C11098", "inchi": "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+", "name": "Fenpyroximate", "names": [ "Fenpyroximate" ] }, { "compound_id": "C11099", "inchi": "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2", "name": "Fipronil", "names": [ "Fipronil" ] }, { "compound_id": "C11100", "inchi": "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2", "name": "Flurochloridone", "names": [ "Flurochloridone", "Raiser" ] }, { "compound_id": "C11101", "inchi": "InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2", "name": "5-Hydroxymethyl-2-furaldehyde", "names": [ "5-Hydroxymethyl-2-furaldehyde", "5-Hydroxymethylfurfural", "HMF" ] }, { "compound_id": "C11102", "inchi": "InChI=1S/C10H15NO7/c1-4-2-6(11-18-4)17-10-9(15)8(14)7(13)5(3-12)16-10/h2,5,7-10,12-15H,3H2,1H3/t5-,7-,8+,9-,10-/m1/s1", "name": "Hymexazol O-glucoside", "names": [ "HOG", "Hymexazol O-glucoside" ] }, { "compound_id": "C11103", "inchi": "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)", "name": "Hymexazol", "names": [ "Hymexazol" ] }, { "compound_id": "C11104", "inchi": "InChI=1S/C10H15NO7/c1-4-2-6(13)11(18-4)10-9(16)8(15)7(14)5(3-12)17-10/h2,5,7-10,12,14-16H,3H2,1H3/t5-,7-,8+,9?,10+/m1/s1", "name": "Hymexazol N-glucoside", "names": [ "HNG", "Hymexazol N-glucoside" ] }, { "compound_id": "C11105", "inchi": "InChI=1S/C4H5NO5S/c1-3-2-4(5-9-3)10-11(6,7)8/h2H,1H3,(H,6,7,8)", "name": "5-Methyl-3-isoxazolyl sulfate", "names": [ "5-Methyl-3-isoxazolyl sulfate" ] }, { "compound_id": "C11106", "inchi": "InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)", "name": "Acetoacetamide", "names": [ "AAA", "Acetoacetamide" ] }, { "compound_id": "C11107", "inchi": "InChI=1S/C10H13NO8/c1-3-2-4(11-19-3)17-10-7(14)5(12)6(13)8(18-10)9(15)16/h2,5-8,10,12-14H,1H3,(H,15,16)/t5-,6-,7+,8-,10-/m0/s1", "name": "3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole", "names": [ "3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole" ] }, { "compound_id": "C11108", "inchi": "InChI=1S/C4H9NO3/c1-2(6)3(7)4(5)8/h2-3,6-7H,1H3,(H2,5,8)", "name": "(-)-erythro-(2R,3R)-Dihydroxybutylamide", "names": [ "(-)-erythro-(2R,3R)-Dihydroxybutylamide", "DBA" ] }, { "compound_id": "C11109", "inchi": "InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)", "name": "HBA", "names": [ "HBA" ] }, { "compound_id": "C11110", "inchi": "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)", "name": "Imidacloprid", "names": [ "Imidacloprid" ] }, { "compound_id": "C11111", "inchi": "InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3", "name": "Isoprothiolane", "names": [ "Isoprothiolane" ] }, { "compound_id": "C11112", "inchi": "InChI=1S/C12H18O5S2/c1-7(2)16-10(13)9(11(14)17-8(3)4)12-18-5-6-19(12)15/h7-8H,5-6H2,1-4H3", "name": "Isoprothiolane sulfoxide", "names": [ "Isoprothiolane sulfoxide", "Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide" ] }, { "compound_id": "C11113", "inchi": "InChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3", "name": "Methaphenilene", "names": [ "Methaphenilene" ] }, { "compound_id": "C11114", "inchi": "InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3", "name": "Methapyrilene", "names": [ "Methapyrilene" ] }, { "compound_id": "C11115", "inchi": "InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3", "name": "5-Methyl-2-furaldehyde", "names": [ "5-Methyl-2-furaldehyde", "5-Methyl-2-furfural" ] }, { "compound_id": "C11116", "inchi": "InChI=1S/C4H4N2O3/c1-6-3(8)2(7)5-4(6)9/h1H3,(H,5,7,9)", "name": "Methylparabanic acid", "names": [ "Imidazolidinetrione, methyl-", "Methylparabanic acid" ] }, { "compound_id": "C11117", "inchi": "InChI=1S/C4H6N2O4/c1-5-4(10)6-2(7)3(8)9/h1H3,(H,8,9)(H2,5,6,7,10)", "name": "5-N-Methyloxaluric acid", "names": [ "5-N-Methyloxaluric acid" ] }, { "compound_id": "C11118", "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3", "name": "N-Methyl-2-pyrrolidinone", "names": [ "1-Methyl-2-pyrrolidinone", "N-Methyl-2-pyrrolidinone" ] }, { "compound_id": "C11119", "inchi": "InChI=1S/C3H6N2OS/c6-4-5-1-2-7-3-5/h1-3H2", "name": "N-Nitroso-1,3-thiazolidine", "names": [ "N-Nitroso-1,3-thiazolidine", "N-Nitrosothiazolidine" ] }, { "compound_id": "C11120", "inchi": "InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)", "name": "Rilmenidine", "names": [ "Oxaminozoline", "Rilmenidine" ] }, { "compound_id": "C11121", "inchi": "InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3", "name": "Propiconazole", "names": [ "Propiconazole" ] }, { "compound_id": "C11122", "inchi": "InChI=1S/C12H10Cl2N2O2/c1-6-10(12(18)16(2)15-6)11(17)8-4-3-7(13)5-9(8)14/h3-5,18H,1-2H3", "name": "DTP", "names": [ "(2,4-Dichlorophenyl)(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)methanone", "4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-5-hydroxypyrazole", "DTP" ] }, { "compound_id": "C11123", "inchi": "InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3", "name": "Pyrazolate", "names": [ "4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-5-pyrazolyl p-toluenesulfonate", "Pyrazolate" ] }, { "compound_id": "C11124", "inchi": "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3", "name": "Spiroxamine", "names": [ "KWG4168", "Spiroxamine" ] }, { "compound_id": "C11125", "inchi": "InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3", "name": "Sulfentrazone", "names": [ "F6285", "Sulfentrazone" ] }, { "compound_id": "C11126", "inchi": "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)", "name": "Tebufenpyrad", "names": [ "1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-", "Tebufenpyrad" ] }, { "compound_id": "C11127", "inchi": "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3", "name": "Triadimenol", "names": [ "Triadimenol" ] }, { "compound_id": "C11128", "inchi": "InChI=1S/C10H4Br3ClN2O/c11-7-8(12)16(10(13)15-7)9(17)5-1-3-6(14)4-2-5/h1-4H", "name": "2,4,5-Tribromo-1-(4-chlorobenzoyl)imidazole", "names": [ "2,4,5-Tribromo-1-(4-chlorobenzoyl)imidazole" ] }, { "compound_id": "C11129", "inchi": "InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)", "name": "Isatin", "names": [ "Isatin" ] }, { "compound_id": "C11130", "inchi": "InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,7,10H,(H,9,11)", "name": "3-Hydroxyindolin-2-one", "names": [ "1,3-Dihydro-3-hydroxy-2H-indol-2-one", "3-Hydroxyindolin-2-one", "Dioxindole" ] }, { "compound_id": "C11131", "inchi": "InChI=1S/C25H34O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,18-22,24,26-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,18-,19-,20-,21+,22-,24+,25-/m0/s1", "name": "2-Methoxy-estradiol-17beta 3-glucuronide", "names": [ "2-Methoxy-estradiol-17beta 3-glucuronide" ] }, { "compound_id": "C11132", "inchi": "InChI=1S/C25H32O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,19-22,24,27-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,19-,20-,21+,22-,24+,25-/m0/s1", "name": "2-Methoxyestrone 3-glucuronide", "names": [ "2-Methoxyestrone 3-glucuronide" ] }, { "compound_id": "C11133", "inchi": "InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1", "name": "Estrone glucuronide", "names": [ "Estrone 3-glucuronide", "Estrone beta-D-glucuronide", "Estrone glucuronide" ] }, { "compound_id": "C11134", "inchi": "InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17?,18-,19-,20+,21-,23?,24-,25-/m0/s1", "name": "Testosterone glucuronide", "names": [ "Testosterone 17beta-(beta-D-glucuronide)", "Testosterone glucuronide" ] }, { "compound_id": "C11135", "inchi": "InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13?,14-,15-,16-,18-,19-,20+,21-,23?,24-,25-/m0/s1", "name": "Androsterone glucuronide", "names": [ "Androsterone 3-glucuronide", "Androsterone glucuronide" ] }, { "compound_id": "C11136", "inchi": "InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13?,14+,15+,16+,18+,19+,20-,21+,23?,24+,25+/m1/s1", "name": "Etiocholan-3alpha-ol-17-one 3-glucuronide", "names": [ "Etiocholan-3alpha-ol-17-one 3-glucuronide" ] }, { "compound_id": "C11141", "inchi": "InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1", "name": "(+)-Atherospermoline", "names": [ "(+)-Atherospermoline" ] }, { "compound_id": "C11142", "inchi": "InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3", "name": "Sulfonylbismethane", "names": [ "Dimethyl sulfone", "Sulfonylbismethane" ] }, { "compound_id": "C11143", "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3", "name": "Dimethyl sulfoxide", "names": [ "DMSO", "Dimethyl sulfoxide" ] }, { "compound_id": "C11144", "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3", "name": "Dimethyl ether", "names": [ "DME", "Dimethyl ether", "Methoxymethane" ] }, { "compound_id": "C11145", "inchi": "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)", "name": "Methanesulfonic acid", "names": [ "Methanesulfonate", "Methanesulfonic acid" ] }, { "compound_id": "C11146", "inchi": "InChI=1S/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1", "name": "Methylmercury chloride", "names": [ "Methylmercury chloride" ] }, { "compound_id": "C11147", "inchi": "InChI=1S/CH3F/c1-2/h1H3", "name": "Fluoromethane", "names": [ "Fluoromethane", "Methyl fluoride" ] }, { "compound_id": "C11148", "inchi": "InChI=1S/C2HCl3O/c3-1-2(4,5)6-1/h1H", "name": "TCE epoxide", "names": [ "TCE epoxide", "Trichloroepoxyethane", "Trichloroethylene epoxide" ] }, { "compound_id": "C11149", "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)", "name": "Dichloroacetate", "names": [ "Dichloroacetate" ] }, { "compound_id": "C11150", "inchi": "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)", "name": "Trichloroacetate", "names": [ "TCA", "Trichloroacetate", "Trichloroacetic acid" ] }, { "compound_id": "C11151", "inchi": "InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1", "name": "Phenylmercury acetate", "names": [ "Phenylmercury acetate" ] }, { "compound_id": "C11152", "inchi": "InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1", "name": "Tetraphenylphosphonium", "names": [ "Tetraphenylphosphonium" ] }, { "compound_id": "C11153", "inchi": "InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16?,21-,23-,24+,26-,27?,28-,29-,31?,32-/m1/s1", "name": "Teniposide", "names": [ "Teniposide", "VM-26" ] }, { "compound_id": "C11154", "inchi": "InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)", "name": "Trimetrexate", "names": [ "Trimetrexate" ] }, { "compound_id": "C11155", "inchi": "InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3", "name": "n-Propyl gallate", "names": [ "Propyl gallate", "n-Propyl gallate" ] }, { "compound_id": "C11156", "inchi": "InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3", "name": "Triadimefon", "names": [ "Triadimefon" ] }, { "compound_id": "C11158", "inchi": "InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1", "name": "Topotecan", "names": [ "Topotecan" ] }, { "compound_id": "C11159", "inchi": "InChI=1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2", "name": "Tiron", "names": [ "Tiron" ] }, { "compound_id": "C11160", "inchi": "InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3", "name": "Thiram", "names": [ "Tetramethylthioperoxydicarbonic diamide", "Thiram" ] }, { "compound_id": "C11161", "inchi": "InChI=1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H", "name": "Ethidium bromide", "names": [ "Ethidium bromide", "Homidium bromide" ] }, { "compound_id": "C11162", "inchi": "InChI=1S/C26H22O10/c1-32-19-5-12(3-4-15(19)29)25-23(11-27)36-26-21(33-2)6-13(7-22(26)35-25)18-10-17(31)24-16(30)8-14(28)9-20(24)34-18/h3-10,23,25,27-30H,11H2,1-2H3/t23-,25-/m1/s1", "name": "5'-Methoxyhydnocarpin-D", "names": [ "5'-Methoxyhydnocarpin-D" ] }, { "compound_id": "C11163", "inchi": "InChI=1S/C18H16N2O2/c1-22-17-9-5-4-8-16(17)20-18(21)19-15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3,(H2,19,20,21)", "name": "INF271", "names": [ "INF271" ] }, { "compound_id": "C11164", "inchi": "InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H", "name": "CCCP", "names": [ "CCCP", "Carbonyl cyanide m-chlorophenyl hydrazone" ] }, { "compound_id": "C11165", "inchi": "InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+/t11-/m1/s1", "name": "Thiolactomycin", "names": [ "Thiolactomycin" ] }, { "compound_id": "C11166", "inchi": "InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1", "name": "SDS", "names": [ "SDS", "Sodium dodecyl sulfate", "Sodium lauryl sulfate" ] }, { "compound_id": "C11168", "inchi": "InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3", "name": "Tetrabenazine", "names": [ "Tetrabenazine" ] }, { "compound_id": "C11169", "inchi": "InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)", "name": "Sulfathiazole", "names": [ "Sulfathiazole" ] }, { "compound_id": "C11170", "inchi": "InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10?,11+,14-/m1/s1", "name": "Sulbenicillin", "names": [ "Sulbenicillin" ] }, { "compound_id": "C11171", "inchi": "InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1", "name": "Sodium deoxycholate", "names": [ "Sodium deoxycholate" ] }, { "compound_id": "C11172", "inchi": "InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)", "name": "Simazine", "names": [ "Simazine" ] }, { "compound_id": "C11173", "inchi": "InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1", "name": "SN-38", "names": [ "SN-38" ] }, { "compound_id": "C11174", "inchi": "InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-/m1/s1", "name": "1-Diphosinositol pentakisphosphate", "names": [ "1-Diphosinositol pentakisphosphate", "D-myo-Inositol, 2,3,4,5,6-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate)", "Diphospho-myo-inositol pentakisphosphate" ] }, { "compound_id": "C11175", "inchi": "InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1", "name": "S-(2,4-Dinitrophenyl)glutathione", "names": [ "S-(2,4-Dinitrophenyl)glutathione" ] }, { "compound_id": "C11177", "inchi": "InChI=1S/C28H31N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29-30H,6-8H2,1-5H3;1H/q+1;/p-1", "name": "Rhodamine 6G", "names": [ "Rhodamine 6G" ] }, { "compound_id": "C11178", "inchi": "InChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H", "name": "Resazurin", "names": [ "Resazurin" ] }, { "compound_id": "C11179", "inchi": "InChI=1S/C17H19N2O.ClH/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14;/h5-11H,1-4H3;1H/q+1;/p-1", "name": "Pyronine Y", "names": [ "Pyronine", "Pyronine Y" ] }, { "compound_id": "C11180", "inchi": "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)", "name": "Pyrimethanil", "names": [ "Pyrimethanil" ] }, { "compound_id": "C11181", "inchi": "InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2", "name": "Proflavine", "names": [ "Proflavine" ] }, { "compound_id": "C11182", "inchi": "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3", "name": "Prochloraz", "names": [ "Prochloraz" ] }, { "compound_id": "C11184", "inchi": "InChI=1S/C8H12N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)", "name": "PMEG", "names": [ "9-((2-Phosphonylmethoxy)ethyl)guanine", "PMEG" ] }, { "compound_id": "C11185", "inchi": "InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H", "name": "Nuarimol", "names": [ "Nuarimol" ] }, { "compound_id": "C11186", "inchi": "InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-", "name": "Nonactin", "names": [ "Nonactin" ] }, { "compound_id": "C11188", "inchi": "InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)", "name": "Neburon", "names": [ "Kloben", "Neburon" ] }, { "compound_id": "C11189", "inchi": "InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)", "name": "Hoechst 33342", "names": [ "Hoe 33342", "Hoechst 33342" ] }, { "compound_id": "C11190", "inchi": "InChI=1S/C21H17N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11H,22-23H2,1H3;1H/q+1;/p-1", "name": "Rhodamine 123", "names": [ "Rhodamine 123" ] }, { "compound_id": "C11191", "inchi": "InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-", "name": "cis-(Z)-Flupenthixol", "names": [ "cis-(Z)-Flupenthixol" ] }, { "compound_id": "C11193", "inchi": "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1", "name": "R (+)-Propanolol", "names": [ "Dexpropranolol", "R (+)-Propanolol", "R-(+)-Propranolol" ] }, { "compound_id": "C11194", "inchi": "InChI=1S/C26H36N4O4.2ClH/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4;;/h5-12,19-22H,13-18H2,1-4H3;2*1H/q+2;;/p-2", "name": "Morfamquat", "names": [ "Morfamquat", "Morfamquat dichloride" ] }, { "compound_id": "C11195", "inchi": "InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2", "name": "Mitoxantrone", "names": [ "Mitoxantrone" ] }, { "compound_id": "C11196", "inchi": "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+", "name": "Methomyl", "names": [ "Methomyl" ] }, { "compound_id": "C11198", "inchi": "InChI=1S/C131H229N39O31/c1-23-71(16)102(163-97(176)60-135)122(194)146-62-98(177)148-74(19)109(181)164-100(69(12)13)124(196)160-88(55-65(4)5)116(188)155-84(41-30-33-51-134)115(187)165-101(70(14)15)125(197)161-90(57-67(8)9)118(190)168-106(77(22)173)128(200)169-105(76(21)172)123(195)147-63-99(178)150-92(58-68(10)11)129(201)170-54-36-44-94(170)121(193)149-75(20)108(180)158-89(56-66(6)7)117(189)166-104(73(18)25-3)127(199)162-93(64-171)120(192)159-91(59-78-61-145-80-38-27-26-37-79(78)80)119(191)167-103(72(17)24-2)126(198)157-83(40-29-32-50-133)111(183)154-85(42-34-52-143-130(139)140)112(184)152-82(39-28-31-49-132)110(182)153-86(43-35-53-144-131(141)142)113(185)156-87(46-48-96(137)175)114(186)151-81(107(138)179)45-47-95(136)174/h26-27,37-38,61,65-77,81-94,100-106,145,171-173H,23-25,28-36,39-60,62-64,132-135H2,1-22H3,(H2,136,174)(H2,137,175)(H2,138,179)(H,146,194)(H,147,195)(H,148,177)(H,149,193)(H,150,178)(H,151,186)(H,152,184)(H,153,182)(H,154,183)(H,155,188)(H,156,185)(H,157,198)(H,158,180)(H,159,192)(H,160,196)(H,161,197)(H,162,199)(H,163,176)(H,164,181)(H,165,187)(H,166,189)(H,167,191)(H,168,190)(H,169,200)(H4,139,140,143)(H4,141,142,144)", "name": "Melitten", "names": [ "Melitten", "Melittin" ] }, { "compound_id": "C11199", "inchi": "InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1", "name": "Cefpirome", "names": [ "Cefpirome", "HR 810" ] }, { "compound_id": "C11200", "inchi": "InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)", "name": "Lenacil", "names": [ "Lenacil" ] }, { "compound_id": "C11201", "inchi": "InChI=1S/C28H25N7.ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);1H", "name": "Isometamidium chloride", "names": [ "Isometamidium chloride" ] }, { "compound_id": "C11202", "inchi": "InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/b26-11-/t12-,17-,21?,29?/m1/s1", "name": "Cefclidin", "names": [ "Cefclidin" ] }, { "compound_id": "C11203", "inchi": "InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1", "name": "Cefozopran", "names": [ "Cefozopran", "SCE 2787" ] }, { "compound_id": "C11205", "inchi": "InChI=1S/C10H24N2.C3H6Br2/c1-11(2)9-7-5-6-8-10-12(3)4;4-2-1-3-5/h5-10H2,1-4H3;1-3H2", "name": "Hexadimethrine bromide", "names": [ "Hexadimethrine bromide", "Polybrene" ] }, { "compound_id": "C11206", "inchi": "InChI=1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)", "name": "p-Methylaminophenol sulfate", "names": [ "p-Methylaminophenol sulfate" ] }, { "compound_id": "C11207", "inchi": "InChI=1S/C16H19N3/c1-2-3-9-16(12-17,13-19-11-10-18-14-19)15-7-5-4-6-8-15/h4-8,10-11,14H,2-3,9,13H2,1H3", "name": "Fenapanil", "names": [ "Fenapanil", "Phenapronil" ] }, { "compound_id": "C11208", "inchi": "InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)", "name": "Iprodione", "names": [ "Iprodione", "Rovral", "Rovrol" ] }, { "compound_id": "C11210", "inchi": "InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32)/b20-11?,24-12-/t13-,17-/m1/s1", "name": "Cefoselis", "names": [ "Cefoselis" ] }, { "compound_id": "C11212", "inchi": "InChI=1S/C26H27N3O4S2/c1-16-21(25(30)32-14-19-4-8-27-9-5-19)23(24-18(3)34-12-13-35-24)22(17(2)29-16)26(31)33-15-20-6-10-28-11-7-20/h4-11,23,29H,12-15H2,1-3H3", "name": "NIK250", "names": [ "NIK250" ] }, { "compound_id": "C11213", "inchi": "InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41?,42-,43+,44-,45?,46-,47?,49-,50-,51-,52?/m0/s1", "name": "SDZ PSC 833", "names": [ "3'-Keto-bmt(1)-val(2)-cyclosporin A", "SDZ PSC 833", "Valspodar" ] }, { "compound_id": "C11214", "inchi": "InChI=1S/CH6N4S/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)", "name": "Thiocarbohydrazide", "names": [ "1,3-Diamino-2-thiourea", "Thiocarbohydrazide" ] }, { "compound_id": "C11215", "inchi": "InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3", "name": "Arsenate ion", "names": [ "Arsenate", "Arsenate ion" ] }, { "compound_id": "C11216", "inchi": "InChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3", "name": "Zwittergent 3-14", "names": [ "Zwittergent 3-14" ] }, { "compound_id": "C11217", "inchi": "InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)", "name": "p-Fluorophenylalanine", "names": [ "p-Fluorophenylalanine" ] }, { "compound_id": "C11218", "inchi": "InChI=1S/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1", "name": "Gramicidin S", "names": [ "Gramicidin S" ] }, { "compound_id": "C11219", "inchi": "InChI=1S/C14H14Cl2N2O.HNO3/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;2-1(3)4/h2-6,8,10,14H,1,7,9H2;(H,2,3,4)", "name": "Imazalil nitrate", "names": [ "Imazalil nitrate" ] }, { "compound_id": "C11221", "inchi": "InChI=1S/C22H33N3O5S/c1-15(2)12-18(24-20(27)17(23-14-26)10-11-31-4)21(28)25-19(22(29)30-3)13-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)/t17-,18-,19-/m0/s1", "name": "Formylmethionyl-leucyl-phenylalanine methyl ester", "names": [ "FMLP OMe", "Formylmethionyl-leucyl-phenylalanine methyl ester" ] }, { "compound_id": "C11222", "inchi": "InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1", "name": "Geldanamycin", "names": [ "Geldanamycin" ] }, { "compound_id": "C11223", "inchi": "InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3", "name": "Ferbam", "names": [ "Ferbam", "Ferric dimethyldithiocarbamate" ] }, { "compound_id": "C11224", "inchi": "InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)", "name": "Fenuron", "names": [ "Fenuron" ] }, { "compound_id": "C11225", "inchi": "InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1", "name": "Herbimycin", "names": [ "Herbimycin" ] }, { "compound_id": "C11226", "inchi": "InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H", "name": "Fenarimol", "names": [ "Fenarimol" ] }, { "compound_id": "C11227", "inchi": "InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1", "name": "Ethionine", "names": [ "Ethionine" ] }, { "compound_id": "C11228", "inchi": "InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1", "name": "Estramustine", "names": [ "Estramustine" ] }, { "compound_id": "C11229", "inchi": "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1", "name": "Epoxiconazole", "names": [ "Epoxiconazole" ] }, { "compound_id": "C11230", "inchi": "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1", "name": "Epirubicin", "names": [ "Epirubicin" ] }, { "compound_id": "C11231", "inchi": "InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1", "name": "Docetaxel anhydrous", "names": [ "Docetaxel", "Docetaxel anhydrous" ] }, { "compound_id": "C11232", "inchi": "InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)", "name": "Diphenylcarbazide", "names": [ "Diphenylcarbazide" ] }, { "compound_id": "C11233", "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3", "name": "Dimethyl phthalate", "names": [ "Dimethyl phthalate" ] }, { "compound_id": "C11234", "inchi": "InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)", "name": "Difloxacin", "names": [ "Difloxacin" ] }, { "compound_id": "C11235", "inchi": "InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3", "name": "Diclobutrazol", "names": [ "Diclobutrazol" ] }, { "compound_id": "C11236", "inchi": "InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3", "name": "Niguldipine", "names": [ "Dexniguldipine", "Niguldipine" ] }, { "compound_id": "C11237", "inchi": "InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1", "name": "17beta-Estradiol 17-(beta-D-glucuronide)", "names": [ "17beta-Estradiol 17-(beta-D-glucuronide)", "Estradiol-17beta-glucuronide", "Glucuronosylestradiol" ] }, { "compound_id": "C11238", "inchi": "InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)", "name": "GF 109203X", "names": [ "Bisindolylmaleimide I", "GF 109203X" ] }, { "compound_id": "C11239", "inchi": "InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+", "name": "MK 571", "names": [ "MK 571", "Verlukast" ] }, { "compound_id": "C11240", "inchi": "InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)", "name": "Rufloxacin", "names": [ "Rufloxacin" ] }, { "compound_id": "C11242", "inchi": "InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1", "name": "Bacterio-chlorophyll a", "names": [ "Bacterio-chlorophyll a" ] }, { "compound_id": "C11243", "inchi": "InChI=1S/C55H73N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h13,25,27-32,34-35,40,51H,14-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+,39-13-;/t31-,32-,34-,35+,40+,51-;/m1./s1", "name": "Bacterio-chlorophyll b", "names": [ "Bacterio-chlorophyll b" ] }, { "compound_id": "C11244", "inchi": null, "name": "Bacterio-chlorophyll c", "names": [ "Bacterio-chlorophyll c", "Bacterio-chlorophyll d", "Bacterio-chlorophyll e" ] }, { "compound_id": "C11245", "inchi": "InChI=1S/C35H40O19/c1-11-46-9-20-30(50-11)25(38)27(40)34(51-20)52-28-14-7-17-16(48-10-49-17)6-13(14)21(22-15(28)8-47-33(22)43)12-4-18(44-2)29(19(5-12)45-3)53-35-26(39)23(36)24(37)31(54-35)32(41)42/h4-7,11,15,20-28,30-31,34-40H,8-10H2,1-3H3,(H,41,42)/p-1/t11-,15+,20-,21-,22+,23+,24+,25-,26-,27-,28?,30-,31+,34?,35-/m1/s1", "name": "Glucuronosyletoposide", "names": [ "Etoposide glucuronide", "Glucuronosyletoposide" ] }, { "compound_id": "C11246", "inchi": "InChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/p-1/t14-,15-,16+,17-,18+,19+,20+,21?,23+,24+,25-,26+,28?,29-,30-/m1/s1", "name": "6alpha-Glucuronosylhyodeoxycholate", "names": [ "6alpha-Glucuronosylhyodeoxycholate" ] }, { "compound_id": "C11248", "inchi": "InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12-,13+/m0/s1", "name": "DU-6859", "names": [ "DU-6859", "Sitafloxacin" ] }, { "compound_id": "C11249", "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2", "name": "Cyclohexane", "names": [ "Cyclohexane" ] }, { "compound_id": "C11250", "inchi": "InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3", "name": "Demecolcine", "names": [ "Colcemid", "Demecolcine" ] }, { "compound_id": "C11251", "inchi": "InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1", "name": "Cholesteryl palmitate", "names": [ "Cholesteryl palmitate" ] }, { "compound_id": "C11252", "inchi": "InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3", "name": "Chloroneb", "names": [ "Chloroneb" ] }, { "compound_id": "C11253", "inchi": "InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1", "name": "Cefsulodin", "names": [ "Cefsulodin" ] }, { "compound_id": "C11254", "inchi": "InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21-/m1/s1", "name": "Carmine", "names": [ "Carmine", "Carminic acid" ] }, { "compound_id": "C11255", "inchi": "InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)", "name": "Carboxin", "names": [ "Carboxin" ] }, { "compound_id": "C11256", "inchi": "InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1", "name": "Calpeptin", "names": [ "Calpeptin", "N-Cbz-leu-nleu-al" ] }, { "compound_id": "C11257", "inchi": "InChI=1S/C46H46N2O23/c1-25(49)60-21-64-41(55)17-47(18-42(56)65-22-61-26(2)50)15-31-11-35-39(13-37(31)68-29(5)53)70-40-14-38(69-30(6)54)32(12-36(40)46(35)34-10-8-7-9-33(34)45(59)71-46)16-48(19-43(57)66-23-62-27(3)51)20-44(58)67-24-63-28(4)52/h7-14H,15-24H2,1-6H3", "name": "Calcein AM", "names": [ "Calcein AM" ] }, { "compound_id": "C11258", "inchi": "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3", "name": "Bitertanol", "names": [ "Bitertanol" ] }, { "compound_id": "C11259", "inchi": "InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7?,10?,11-,12+/m1/s1", "name": "Bicozamycin", "names": [ "Bicozamycin", "Bicyclomycin" ] }, { "compound_id": "C11260", "inchi": "InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3", "name": "2-Amino-2-methyl-1,3-propandiol", "names": [ "2-Amino-2-methyl-1,3-propandiol", "Aminomethyl propanediol" ] }, { "compound_id": "C11261", "inchi": "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)", "name": "Amitrole", "names": [ "2-Amino-1,3,4-triazole", "3-Amino-1,2,4-triazole", "Aminotriazole", "Amitrole" ] }, { "compound_id": "C11262", "inchi": "InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1", "name": "5-Azacytidine", "names": [ "5-Azacytidine", "Azacitidine" ] }, { "compound_id": "C11263", "inchi": "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)", "name": "6-Benzylaminopurine", "names": [ "6-Benzylaminopurine", "N-Benzyladenine", "N6-Benzyladenine" ] }, { "compound_id": "C11264", "inchi": "InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H", "name": "7-Hydroxyflavone", "names": [ "7-Hydroxy-2-phenyl-4-benzopyrone", "7-Hydroxyflavone" ] }, { "compound_id": "C11265", "inchi": "InChI=1S/C9H12N6O4/c10-7-4-8(12-2-11-7)15(14-13-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,10,11,12)/t3-,5-,6-,9-/m1/s1", "name": "8-Azaadenosine", "names": [ "8-Azaadenosine" ] }, { "compound_id": "C11266", "inchi": "InChI=1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1", "name": "8-Bromoadenosine", "names": [ "8-Bromoadenosine" ] }, { "compound_id": "C11268", "inchi": "InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1", "name": "Biapenem", "names": [ "Biapenem" ] }, { "compound_id": "C11269", "inchi": "InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)", "name": "Virginiamycin S1", "names": [ "Virginiamycin S1" ] }, { "compound_id": "C11271", "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3", "name": "n-Hexane", "names": [ "Hexane", "n-Hexane" ] }, { "compound_id": "C11272", "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H", "name": "Fluorobenzene", "names": [ "Fluorobenzene" ] }, { "compound_id": "C11273", "inchi": "InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H", "name": "Acriflavine", "names": [ "Acriflavine" ] }, { "compound_id": "C11274", "inchi": "InChI=1S/C13H7Cl4NO2/c14-8-7(12(19)11(17)10(16)9(8)15)13(20)18-6-4-2-1-3-5-6/h1-5,19H,(H,18,20)", "name": "Tetrachlorosalicylanilide", "names": [ "Tetrachlorosalicylanilide" ] }, { "compound_id": "C11275", "inchi": "InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1", "name": "Cetyltrimethylammonium bromide", "names": [ "Cetrimonium bromide", "Cetyltrimethylammonium bromide", "Trimethylcetylammonium bromide" ] }, { "compound_id": "C11276", "inchi": "InChI=1S/C9H13ClN6O2.ClH/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10;/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14);1H", "name": "Nimustine hydrochloride", "names": [ "ACNU", "Nimustine hydrochloride" ] }, { "compound_id": "C11277", "inchi": "InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)", "name": "Adefovir", "names": [ "9-(2-Phosphonylmethoxyethyl)adenine", "Adefovir", "PMEA" ] }, { "compound_id": "C11278", "inchi": "InChI=1S/C27H29N3O13S/c1-40-13-6-14-19(22-18(13)9-2-4-12(31)17(9)25(39)42-22)20-21(35)27(43-26(20)41-14)44-8-11(23(36)29-7-16(33)34)30-15(32)5-3-10(28)24(37)38/h6,10-11,20-21,26-27,35H,2-5,7-8,28H2,1H3,(H,29,36)(H,30,32)(H,33,34)(H,37,38)/t10?,11?,20?,21-,26?,27+/m1/s1", "name": "Aflatoxin B1exo-8,9-epoxide-GSH", "names": [ "8,9-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1", "Aflatoxin B1exo-8,9-epoxide-GSH" ] }, { "compound_id": "C11279", "inchi": "InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1", "name": "Cetrimide", "names": [ "Cetrimide", "Tetradecyl trimethyl ammonium bromide" ] }, { "compound_id": "C11280", "inchi": "InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)", "name": "Dolastatin 10", "names": [ "Dolastatin 10" ] }, { "compound_id": "C11281", "inchi": "InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1", "name": "Anisomycin", "names": [ "Anisomycin" ] }, { "compound_id": "C11282", "inchi": "InChI=1S/C27H26F3N5O5/c1-4-39-25(37)21-15(2)33-16(3)22(23(21)19-7-5-6-8-20(19)27(28,29)30)26(38)40-14-13-32-24(36)17-9-11-18(12-10-17)34-35-31/h5-12,23,33H,4,13-14H2,1-3H3,(H,32,36)", "name": "Azidopine", "names": [ "Azidopine" ] }, { "compound_id": "C11283", "inchi": "InChI=1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2", "name": "2,4-Dinitrophenylhydrazine", "names": [ "2,4-Dinitrophenylhydrazine" ] }, { "compound_id": "C11284", "inchi": "InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)", "name": "Indolebutyric acid", "names": [ "IBA", "Indole-3-butyric acid", "Indolebutyric acid" ] }, { "compound_id": "C11285", "inchi": "InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3", "name": "Tridemorph", "names": [ "Tridemorph" ] }, { "compound_id": "C11288", "inchi": "InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1", "name": "16alpha,17beta-Estriol 3-(beta-D-glucuronide)", "names": [ "16alpha,17beta-Estriol 3-(beta-D-glucuronide)" ] }, { "compound_id": "C11289", "inchi": "InChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(35-36(30,31)32)10-11(13)2-4-15(14)16(24)6-7-17(24)33-23-20(27)18(25)19(26)21(34-23)22(28)29/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1", "name": "17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)", "names": [ "17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)", "Estradiol 17beta-glucuronide 3-sulfate" ] }, { "compound_id": "C11290", "inchi": "InChI=1S/C13H10ClNO2/c14-11-8-4-7-10(12(11)16)13(17)15-9-5-2-1-3-6-9/h1-8,16H,(H,15,17)", "name": "3-Chlorosalicylanilide", "names": [ "3-Chlorosalicylanilide" ] }, { "compound_id": "C11292", "inchi": "InChI=1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1", "name": "N-Acetylleucyl-leucyl-methioninal", "names": [ "N-Acetylleucyl-leucyl-methioninal" ] }, { "compound_id": "C11293", "inchi": "InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3", "name": "Etaconazole", "names": [ "CGA 64251", "Etaconazole" ] }, { "compound_id": "C11294", "inchi": "InChI=1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/t33-;/m0./s1", "name": "Irinotecan hydrochloride", "names": [ "CPT 11", "CPT-11", "Irinotecan hydrochloride" ] }, { "compound_id": "C11295", "inchi": "InChI=1S/C35H58N6O7/c1-19(2)14-27(37-23(9)42)32(45)39-29(16-21(5)6)34(47)41-30(17-22(7)8)35(48)40-28(15-20(3)4)33(46)38-26(31(36)44)18-24-10-12-25(43)13-11-24/h10-13,19-22,26-30,43H,14-18H2,1-9H3,(H2,36,44)(H,37,42)(H,38,46)(H,39,45)(H,40,48)(H,41,47)", "name": "N-Acetyl-leu-leu-leu-leu-tyr-amide", "names": [ "N-Acetyl-leu-leu-leu-leu-tyr-amide", "NAc-L4Y-amide" ] }, { "compound_id": "C11296", "inchi": "InChI=1S/C29H47N5O6/c1-16(2)12-23(31-19(7)35)27(38)33-25(14-18(5)6)29(40)34-24(13-17(3)4)28(39)32-22(26(30)37)15-20-8-10-21(36)11-9-20/h8-11,16-18,22-25,36H,12-15H2,1-7H3,(H2,30,37)(H,31,35)(H,32,39)(H,33,38)(H,34,40)", "name": "N-Acetyl-leu-leu-leu-tyr-amide", "names": [ "N-Acetyl-leu-leu-leu-tyr-amide", "NAc-L3Y-amide" ] }, { "compound_id": "C11297", "inchi": "InChI=1S/C23H36N4O5/c1-13(2)10-19(25-15(5)28)22(31)27-20(11-14(3)4)23(32)26-18(21(24)30)12-16-6-8-17(29)9-7-16/h6-9,13-14,18-20,29H,10-12H2,1-5H3,(H2,24,30)(H,25,28)(H,26,32)(H,27,31)", "name": "N-Acetyl-leu-leu-tyr-amide", "names": [ "N-Acetyl-leu-leu-tyr-amide", "NAc-LLY-amide" ] }, { "compound_id": "C11298", "inchi": "InChI=1S/C23H35N3O5/c1-5-6-12-18(24-15-27)21(28)25-19(13-16(2)3)22(29)26-20(23(30)31-4)14-17-10-8-7-9-11-17/h7-11,15-16,18-20H,5-6,12-14H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)", "name": "N-Formyl-norleucyl-leucyl-phenylalanyl-methylester", "names": [ "N-Formyl-norleucyl-leucyl-phenylalanyl-methylester", "f-NLP-ME" ] }, { "compound_id": "C11299", "inchi": "InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19?,20-,26-/m1/s1", "name": "Virginiamycin M1", "names": [ "Mikamycin A", "Pristinamycin IIA", "Streptogramin A", "Virginiamycin M1" ] }, { "compound_id": "C11300", "inchi": "InChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1", "name": "Soraphen A", "names": [ "Soraphen A" ] }, { "compound_id": "C11301", "inchi": "InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1", "name": "Sulfoglycolithocholate", "names": [ "Glycolithocholate 3-sulfate", "Sulfoglycolithocholate", "Sulfolithocholylglycine" ] }, { "compound_id": "C11302", "inchi": "InChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(17(25)20-11-16(23)24)21-15(22)9-8-13(19)18(26)27/h13-14H,2-12,19H2,1H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14-/m0/s1", "name": "S-Octyl GSH", "names": [ "S-Octyl GSH", "S-Octyl glutathione" ] }, { "compound_id": "C11303", "inchi": "InChI=1S/C20H37N3O6S/c1-2-3-4-5-6-7-8-9-12-30-14-16(19(27)22-13-18(25)26)23-17(24)11-10-15(21)20(28)29/h15-16H,2-14,21H2,1H3,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t15-,16-/m0/s1", "name": "S-Decyl GSH", "names": [ "S-Decyl GSH", "S-Decyl glutathione" ] }, { "compound_id": "C11304", "inchi": "InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-23,25,34H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b13-12+/t19-,20?,21+,22-,23-,25?/m0/s1", "name": "S-(PGA1)-glutathione", "names": [ "S-(PGA1)-glutathione" ] }, { "compound_id": "C11305", "inchi": "InChI=1S/C19H15N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1", "name": "Triphenyltetrazolium chloride", "names": [ "2,3,5-Triphenyltetrazolium chloride", "Triphenyltetrazolium chloride" ] }, { "compound_id": "C11306", "inchi": "InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1", "name": "Acetylleucyl-leucyl-norleucinal", "names": [ "Acetylleucyl-leucyl-norleucinal" ] }, { "compound_id": "C11307", "inchi": "InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1", "name": "Cetylpyridinium chloride", "names": [ "Cetylpyridinium chloride" ] }, { "compound_id": "C11308", "inchi": "InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23-,24-,25-,26-/m0/s1", "name": "Chymostatin", "names": [ "Chymostatin" ] }, { "compound_id": "C11309", "inchi": "InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16?,17+,18+,22-,27-,29?/m0/s1", "name": "Calcimycin", "names": [ "Calcimycin", "Ionophore A23187" ] }, { "compound_id": "C11310", "inchi": "InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1", "name": "1-Methyl-4-phenylpyridinium", "names": [ "1-Methyl-4-phenylpyridinium", "Cyperquat", "N-Methyl-4-phenylpyridine" ] }, { "compound_id": "C11311", "inchi": "InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1", "name": "Oligomycin A", "names": [ "Oligomycin A" ] }, { "compound_id": "C11312", "inchi": "InChI=1S/C45H72O12/c1-12-33-17-15-13-14-16-25(3)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)24(2)18-21-37(48)55-41-28(6)34(20-19-33)56-45(32(41)10)36(47)22-26(4)35(57-45)23-27(5)46/h13-15,17-18,21,24-35,38,40-42,46,49,51-52,54H,12,16,19-20,22-23H2,1-11H3/b14-13+,17-15+,21-18+/t24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35-,38+,40+,41+,42-,44+,45+/m1/s1", "name": "Oligomycin B", "names": [ "Oligomycin B" ] }, { "compound_id": "C11313", "inchi": "InChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m1/s1", "name": "Oligomycin C", "names": [ "Oligomycin C" ] }, { "compound_id": "C11314", "inchi": "InChI=1S/C44H72O11/c1-11-33-16-14-12-13-15-27(4)41(50)43(10,52)42(51)32(9)40(49)31(8)39(48)30(7)38(47)26(3)17-20-37(46)53-36-24-44(54-34(19-18-33)29(36)6)22-21-25(2)35(55-44)23-28(5)45/h12-14,16-17,20,25-36,38,40-41,45,47,49-50,52H,11,15,18-19,21-24H2,1-10H3/b13-12+,16-14+,20-17+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41-,43+,44-/m1/s1", "name": "Oligomycin D", "names": [ "Oligomycin D", "Rutamycin" ] }, { "compound_id": "C11315", "inchi": "InChI=1S/C18H22N6O7S/c19-12(18(30)31)5-6-15(26)22-13(17(29)21-7-16(27)28)8-32-9-14(25)10-1-3-11(4-2-10)23-24-20/h1-4,12-13H,5-9,19H2,(H,21,29)(H,22,26)(H,27,28)(H,30,31)/t12-,13-/m0/s1", "name": "S-(4-Azidophenacyl)glutathione", "names": [ "S-(4-Azidophenacyl)glutathione", "S-(p-Azidophenacyl)glutathione" ] }, { "compound_id": "C11316", "inchi": "InChI=1/C24H20As/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1", "name": "Tetraphenylarsonium", "names": [ "Tetraphenylarsonium" ] }, { "compound_id": "C11317", "inchi": "InChI=1S/C20H40O4/c1-2-3-4-11-14-19(22)15-12-9-7-5-6-8-10-13-16-20(23)24-18-17-21/h19,21-22H,2-18H2,1H3", "name": "Solutol HS 15", "names": [ "Solutol HS 15" ] }, { "compound_id": "C11318", "inchi": "InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1", "name": "DAMGO", "names": [ "(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin", "DAMGO", "Tyr-D-Ala-Gly-MePhe-Gly-ol" ] }, { "compound_id": "C11319", "inchi": "InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)", "name": "3,5-Dinitrosalicylic acid", "names": [ "3,5-Dinitrosalicylic acid" ] }, { "compound_id": "C11320", "inchi": "InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m1./s1", "name": "D-Ornithine hydrochloride", "names": [ "D-Ornithine hydrochloride" ] }, { "compound_id": "C11321", "inchi": "InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1", "name": "3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate", "names": [ "3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate", "CHAPS" ] }, { "compound_id": "C11322", "inchi": "InChI=1S/C8HCl4F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)", "name": "4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole", "names": [ "4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole" ] }, { "compound_id": "C11323", "inchi": "InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)", "name": "Chromotropic acid", "names": [ "4,5-Dihydroxynaphthalene-2,7-disulfonic acid", "Chromotropic acid" ] }, { "compound_id": "C11324", "inchi": "InChI=1S/C20H18O4/c1-12(2)8-9-14-15(21)10-18-19(20(14)23)16(22)11-17(24-18)13-6-4-3-5-7-13/h3-8,10-11,21,23H,9H2,1-2H3", "name": "6-(3,3-Dimethylallyl)chrysin", "names": [ "6-(3,3-DMA)chrysin", "6-(3,3-Dimethylallyl)chrysin" ] }, { "compound_id": "C11325", "inchi": "InChI=1S/C20H18O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10-11,21-22H,9H2,1-2H3", "name": "8-(3,3-Dimethylallyl)chrysin", "names": [ "8-(3,3-DMA)chrysin", "8-(3,3-Dimethylallyl)chrysin" ] }, { "compound_id": "C11326", "inchi": "InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)", "name": "8-Anilino-1-naphthalene sulfonic acid", "names": [ "1-Anilino-8-naphthalenesulfonate", "8-Anilino-1-naphthalene sulfonic acid", "ANS" ] }, { "compound_id": "C11327", "inchi": "InChI=1S/C6H7NO4S/c8-12(9,10)5-11-6-3-1-2-4-7-6/h1-4H,5H2,(H,8,9,10)", "name": "2-Pyridyl hydroxymethane sulfonic acid", "names": [ "2-Pyridyl hydroxymethane sulfonic acid" ] }, { "compound_id": "C11328", "inchi": "InChI=1S/C18H35N3O4/c1-6-7-8-14(18(24)25)20-17(23)15(10-12(4)5)21-16(22)13(19)9-11(2)3/h11-15H,6-10,19H2,1-5H3,(H,20,23)(H,21,22)(H,24,25)/t13-,14?,15?/m0/s1", "name": "Leucyl-leucyl-norleucine", "names": [ "Leucyl-leucyl-norleucine" ] }, { "compound_id": "C11329", "inchi": "InChI=1S/C12H21N3O5/c1-6(13-9(4)16)10(17)14-7(2)11(18)15-8(3)12(19)20-5/h6-8H,1-5H3,(H,13,16)(H,14,17)(H,15,18)/t6-,7-,8-/m0/s1", "name": "N-Acetyl-ala-ala-ala-methylester", "names": [ "N-Acetyl-ala-ala-ala-methylester", "NAc-AAA-ME" ] }, { "compound_id": "C11330", "inchi": "InChI=1S/C23H35N3O6/c1-13(2)10-18(24-15(5)27)21(29)25-19(11-14(3)4)22(30)26-20(23(31)32)12-16-6-8-17(28)9-7-16/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H,24,27)(H,25,29)(H,26,30)(H,31,32)", "name": "N-Acetyl-leu-leu-tyr", "names": [ "N-Acetyl-leu-leu-tyr", "NAc-LLY" ] }, { "compound_id": "C11331", "inchi": "InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1", "name": "Leu-leu-tyr", "names": [ "LLY", "Leu-leu-tyr" ] }, { "compound_id": "C11332", "inchi": "InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)", "name": "Leucyl-leucine", "names": [ "Leucyl-leucine" ] }, { "compound_id": "C11333", "inchi": "InChI=1S/C14H26N2O4/c1-8(2)6-11(15-10(5)17)13(18)16-12(14(19)20)7-9(3)4/h8-9,11-12H,6-7H2,1-5H3,(H,15,17)(H,16,18)(H,19,20)", "name": "N-Acetyl-leucyl-leucine", "names": [ "N-Acetyl-leucyl-leucine" ] }, { "compound_id": "C11334", "inchi": null, "name": "Gentamicin sulfate", "names": [ "Gentamicin C complex sulfate", "Gentamicin sulfate", "Gentamycin sulfate" ] }, { "compound_id": "C11335", "inchi": "InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1", "name": "N,N,N-Trimethylmethanaminium chloride", "names": [ "N,N,N-Trimethylmethanaminium chloride", "Tetramethylammonium chloride" ] }, { "compound_id": "C11336", "inchi": "InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1", "name": "Mersalyl acid", "names": [ "Mersalyl acid" ] }, { "compound_id": "C11337", "inchi": "InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H", "name": "Tetramisole hydrochloride", "names": [ "Tetramisole hydrochloride" ] }, { "compound_id": "C11338", "inchi": "InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m0/s1", "name": "Bornyl acetate", "names": [ "(1R,2S,4R)-(+)-Bornyl acetate", "Bornyl acetate" ] }, { "compound_id": "C11339", "inchi": "InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)", "name": "Antimycin A1", "names": [ "Antimycin A1" ] }, { "compound_id": "C11340", "inchi": "InChI=1S/2C4H4O6.2K.3H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;3*1H2;;/q2*-2;2*+1;;;;2*+3/p-4", "name": "Antimony potassium tartrate", "names": [ "Antimony potassium tartrate" ] }, { "compound_id": "C11341", "inchi": "InChI=1S/C21H19NO3/c1-15(23)22-20(13-16-7-3-2-4-8-16)21(24)25-19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14,20H,13H2,1H3,(H,22,23)", "name": "N-Acetylphenylalanine beta-naphthyl ester", "names": [ "N-Acetyl-DL-phenylalanine beta-naphthyl ester", "N-Acetylphenylalanine beta-naphthyl ester" ] }, { "compound_id": "C11342", "inchi": "InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)", "name": "Oxolinic acid", "names": [ "Oxolinic acid" ] }, { "compound_id": "C11343", "inchi": "InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)", "name": "Salicylhydroxamic acid", "names": [ "Salicylhydroxamic acid" ] }, { "compound_id": "C11344", "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3", "name": "Methyl tert-butyl ether", "names": [ "Methyl tert-butyl ether", "tert-Butyl methyl ether" ] }, { "compound_id": "C11345", "inchi": "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)", "name": "Triazolealanine", "names": [ "Triazolealanine" ] }, { "compound_id": "C11346", "inchi": "InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23+,24+/m1/s1", "name": "16alpha,17beta-Estriol 17-(beta-D-glucuronide)", "names": [ "16alpha,17beta-Estriol 17-(beta-D-glucuronide)" ] }, { "compound_id": "C11347", "inchi": "InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1", "name": "S-Methyl GSH", "names": [ "S-Methyl GSH", "S-Methylglutathione" ] }, { "compound_id": "C11348", "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1", "name": "(S)-1-Phenylethanol", "names": [ "(S)-1-Phenethyl alcohol", "(S)-1-Phenylethanol" ] }, { "compound_id": "C11349", "inchi": null, "name": "Amino group donor", "names": [ "Amino group donor" ] }, { "compound_id": "C11350", "inchi": "InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13-/m0/s1", "name": "(+)-trans-alpha-Irone", "names": [ "(+)-trans-alpha-Irone" ] }, { "compound_id": "C11351", "inchi": "InChI=1S/C7H17N4O7P/c8-1-3(12)2(11-7(9)10)6(5(14)4(1)13)18-19(15,16)17/h1-6,12-14H,8H2,(H4,9,10,11)(H2,15,16,17)/t1-,2+,3-,4+,5-,6-/m0/s1", "name": "N1-Amidinostreptamine 6-phosphate", "names": [ "1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 6-phosphate", "N1-Amidinostreptamine 6-phosphate" ] }, { "compound_id": "C11352", "inchi": "InChI=1S/C6H6Cl2/c7-5-3-1-2-4-6(5)8/h1-6H", "name": "5,6-Dichloro-1,3-cyclohexadiene", "names": [ "5,6-Dichloro-1,3-cyclohexadiene" ] }, { "compound_id": "C11353", "inchi": "InChI=1S/C5H5ClO3/c1-2-3(6)4(7)5(8)9/h2,7H,1H2,(H,8,9)/b4-3+", "name": "2-Hydroxy-3-chloropenta-2,4-dienoate", "names": [ "2-Hydroxy-3-chloropenta-2,4-dienoate" ] }, { "compound_id": "C11354", "inchi": "InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4+", "name": "2-Hydroxy-cis-hex-2,4-dienoate", "names": [ "2-Hydroxy-cis-hex-2,4-dienoate" ] }, { "compound_id": "C11355", "inchi": "InChI=1S/C10H11NO5/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1", "name": "4-Amino-4-deoxychorismate", "names": [ "4-Amino-4-deoxychorismate", "ADC" ] }, { "compound_id": "C11356", "inchi": "InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15-", "name": "trans,trans,cis-Geranylgeranyl diphosphate", "names": [ "2-cis,6-trans,10-trans-Geranylgeranyl diphosphate", "Geranylneryl diphosphate", "trans,trans,cis-Geranylgeranyl diphosphate", "trans,trans,cis-Geranylgeranyl pyrophosphate" ] }, { "compound_id": "C11357", "inchi": "InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1", "name": "(-)-Anabasine", "names": [ "(-)-Anabasine" ] }, { "compound_id": "C11358", "inchi": "InChI=1S/C13H24N2O/c16-13(9-11-5-1-3-7-14-11)10-12-6-2-4-8-15-12/h11-12,14-15H,1-10H2/t11-,12-/m1/s1", "name": "(-)-Anaferine", "names": [ "(-)-Anaferine" ] }, { "compound_id": "C11359", "inchi": "InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m0/s1", "name": "(-)-Hygrine", "names": [ "(-)-Hygrine" ] }, { "compound_id": "C11360", "inchi": "InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m1/s1", "name": "(+)-Nornicotine", "names": [ "(+)-Nornicotine" ] }, { "compound_id": "C11361", "inchi": "InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21?,22-,23+/m0/s1", "name": "N-Acetylleukotriene E4", "names": [ "N-Acetylleukotriene E4" ] }, { "compound_id": "C11362", "inchi": "InChI=1S/C35H44N6O5/c1-22(2)17-29(40-35(46)41-15-9-3-4-10-16-41)32(42)38-30(18-23-20-36-27-13-7-5-11-25(23)27)33(43)39-31(34(44)45)19-24-21-37-28-14-8-6-12-26(24)28/h5-8,11-14,20-22,29-31,36-37H,3-4,9-10,15-19H2,1-2H3,(H,38,42)(H,39,43)(H,40,46)(H,44,45)/t29-,30+,31+/m0/s1", "name": "BQ 485", "names": [ "BQ 485", "Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp" ] }, { "compound_id": "C11363", "inchi": "InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)", "name": "Sulfobromophthalein", "names": [ "Sulfobromophthalein" ] }, { "compound_id": "C11365", "inchi": "InChI=1S/C33H40N4O7/c1-3-22-23-16-21(44-32(42)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26(25(19-38)30(37)39)33(43,4-2)31(40)41/h8-9,16-17,20,38,43H,3-7,10-15,18-19H2,1-2H3,(H,40,41)/p-1/t33-/m0/s1", "name": "CPT-11 carboxylate form", "names": [ "CPT-11 carboxylate form" ] }, { "compound_id": "C11366", "inchi": "InChI=1S/C22H22N2O6/c1-3-12-13-7-11(26)5-6-17(13)23-19-14(12)9-24-18(19)8-16(15(10-25)20(24)27)22(30,4-2)21(28)29/h5-8,25-26,30H,3-4,9-10H2,1-2H3,(H,28,29)/p-1/t22-/m0/s1", "name": "SN-38 carboxylate form", "names": [ "SN-38 carboxylate form" ] }, { "compound_id": "C11367", "inchi": "InChI=1/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-23,25,34H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b13-12+/t19-,20+,21+,22-,23-,25?/m0/s1/f/h32-33,37,39,42H", "name": "GSH-prostaglandin A1", "names": [ "GSH-prostaglandin A1" ] }, { "compound_id": "C11368", "inchi": "InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)", "name": "Grepafloxacin", "names": [ "Grepafloxacin" ] }, { "compound_id": "C11369", "inchi": "InChI=1S/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)", "name": "Fluo-3", "names": [ "Fluo-3" ] }, { "compound_id": "C11370", "inchi": "InChI=1S/C16H22N4O8S/c17-9(16(27)28)1-2-11(21)19-10(15(26)18-7-14(24)25)8-29-6-5-20-12(22)3-4-13(20)23/h3-4,9-10H,1-2,5-8,17H2,(H,18,26)(H,19,21)(H,24,25)(H,27,28)/t9-,10-/m0/s1", "name": "N-Ethylmaleimide-S-glutathione", "names": [ "N-Ethylmaleimide-S-glutathione" ] }, { "compound_id": "C11371", "inchi": "InChI=1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22)", "name": "Nafenopin", "names": [ "Nafenopin" ] }, { "compound_id": "C11372", "inchi": "InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1", "name": "ICI D1694", "names": [ "ICI D1694", "Raltitrexed", "Tomudex", "ZD1694" ] }, { "compound_id": "C11373", "inchi": "InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1", "name": "Temocaprilat", "names": [ "RS 5139", "Temocaprilat" ] }, { "compound_id": "C11374", "inchi": "InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1", "name": "GW1843", "names": [ "1843U89", "GW1843" ] }, { "compound_id": "C11375", "inchi": "InChI=1S/C28H30N2O12/c1-3-12-13-7-11(41-26-22(34)20(32)21(33)23(42-26)25(36)37)5-6-17(13)29-19-14(12)9-30-18(19)8-16(15(10-31)24(30)35)28(40,4-2)27(38)39/h5-8,20-23,26,31-34,40H,3-4,9-10H2,1-2H3,(H,36,37)(H,38,39)/p-1/t20-,21-,22+,23-,26+,28-/m0/s1", "name": "SN38 glucuronide carboxylate form", "names": [ "SN38 glucuronide carboxylate form" ] }, { "compound_id": "C11376", "inchi": "InChI=1S/C28H28N2O11/c1-3-12-13-7-11(40-26-22(33)20(31)21(32)23(41-26)25(35)36)5-6-17(13)29-19-14(12)9-30-18(19)8-16-15(24(30)34)10-39-27(37)28(16,38)4-2/h5-8,20-23,26,31-33,38H,3-4,9-10H2,1-2H3,(H,35,36)/t20-,21-,22+,23-,26+,28-/m0/s1", "name": "SN38 glucuronide", "names": [ "SN-38G", "SN38 glucuronide" ] }, { "compound_id": "C11377", "inchi": null, "name": "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein", "names": [ "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein" ] }, { "compound_id": "C11378", "inchi": "InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+", "name": "Ubiquinone-10", "names": [ "Coenzyme Q10", "Ubidecarenone", "Ubiquinone-10" ] }, { "compound_id": "C11379", "inchi": "InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14?,18-,19+/m0/s1", "name": "Cinchonidine", "names": [ "(8alpha,9R)-Cinchonan-9-ol", "Cinchonidine" ] }, { "compound_id": "C11380", "inchi": "InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3", "name": "Apocynin", "names": [ "Acetovanillone", "Apocynin" ] }, { "compound_id": "C11381", "inchi": "InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3", "name": "Benzoyltropein", "names": [ "Benzoyltropein", "Benzoyltropine" ] }, { "compound_id": "C11382", "inchi": "InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1", "name": "(+)-3-Carene", "names": [ "(+)-3-Carene", "Isodiprene" ] }, { "compound_id": "C11383", "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1", "name": "(+)-(S)-Carvone", "names": [ "(+)-(S)-Carvone", "(+)-Carvone", "Carvol", "Carvone" ] }, { "compound_id": "C11384", "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1", "name": "(S)-(-)-Citronellal", "names": [ "(S)-(-)-Citronellal", "(S)-3,7-Dimethyloct-6-enal" ] }, { "compound_id": "C11385", "inchi": null, "name": "Globotetraosylceramide", "names": [ "GalNAc-bta1->6Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer", "Globotetraosylceramide", "N-Acetyl-galactosaminyl-1,6-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide" ] }, { "compound_id": "C11386", "inchi": "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1", "name": "(-)-Citronellol", "names": [ "(-)-Citronellol" ] }, { "compound_id": "C11387", "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3", "name": "(1S,4R)-(-)-Fenchone", "names": [ "(1S,4R)-(-)-Fenchone" ] }, { "compound_id": "C11388", "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1", "name": "(-)-Linalool", "names": [ "(-)-Linalool", "(3R)-Linalool", "(R)-(-)-Linalool" ] }, { "compound_id": "C11389", "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1", "name": "(+)-Linalool", "names": [ "(+)-Linalool", "(3S)-Linalool", "(S)-(+)-Linalool" ] }, { "compound_id": "C11390", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1", "name": "(+)-Menthone", "names": [ "(+)-Menthone" ] }, { "compound_id": "C11391", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1", "name": "(S)-(+)-alpha-Phellandrene", "names": [ "(S)-(+)-alpha-Phellandrene" ] }, { "compound_id": "C11392", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m1/s1", "name": "(-)-beta-Phellandrene", "names": [ "(-)-beta-Phellandrene" ] }, { "compound_id": "C11393", "inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1", "name": "(-)-alpha-Terpineol", "names": [ "(-)-alpha-Terpineol", "(L)-alpha-Terpineol" ] }, { "compound_id": "C11394", "inchi": "InChI=1S/C10H14O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-8H,5H2,1-3H3", "name": "(+)-Chrysanthenone", "names": [ "(+)-Chrysanthenone" ] }, { "compound_id": "C11395", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m1/s1", "name": "(4R,6R)-cis-Carveol", "names": [ "(4R,6R)-cis-Carveol" ] }, { "compound_id": "C11396", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1", "name": "(1R,2R,4R)-Dihydrocarveol", "names": [ "(-)-Dihydrocarveol", "(1R,2R,4R)-Dihydrocarveol" ] }, { "compound_id": "C11397", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10+/m1/s1", "name": "(1R,2S,4R)-Neo-dihydrocarveol", "names": [ "(1R,2S,4R)-Neo-dihydrocarveol" ] }, { "compound_id": "C11398", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1", "name": "(1R,4R)-Dihydrocarvone", "names": [ "(1R,4R)-Dihydrocarvone" ] }, { "compound_id": "C11399", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1", "name": "(1S,2S,4R)-Iso-dihydrocarveol", "names": [ "(1S,2S,4R)-Iso-dihydrocarveol" ] }, { "compound_id": "C11400", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1", "name": "(1S,2R,4R)-Neoiso-dihydrocarveol", "names": [ "(1S,2R,4R)-Neoiso-dihydrocarveol" ] }, { "compound_id": "C11401", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1", "name": "(1S,4R)-Iso-dihydrocarvone", "names": [ "(1S,4R)-Iso-dihydrocarvone" ] }, { "compound_id": "C11402", "inchi": "InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1", "name": "(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone", "names": [ "(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone" ] }, { "compound_id": "C11403", "inchi": "InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)10(11)12-6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1", "name": "(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone", "names": [ "(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone" ] }, { "compound_id": "C11404", "inchi": "InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/t8?,9-/m1/s1", "name": "(3R)-6-Hydroxy-3-isopropenyl-heptanoate", "names": [ "(3R)-6-Hydroxy-3-isopropenyl-heptanoate" ] }, { "compound_id": "C11405", "inchi": "InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/t9-/m1/s1", "name": "(3R)-3-Isopropenyl-6-oxoheptanoate", "names": [ "(3R)-3-Isopropenyl-6-oxoheptanoate", "(3R)-3-Isopropenyl-6-oxoheptanoic acid" ] }, { "compound_id": "C11406", "inchi": "InChI=1S/C10H18O3/c1-7(2)9(6-11)5-4-8(3)10(12)13/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/t8?,9-/m1/s1", "name": "(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate", "names": [ "(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate" ] }, { "compound_id": "C11407", "inchi": "InChI=1S/C31H50N7O18P3S/c1-17(2)19(7-6-18(3)39)12-22(41)60-11-10-33-21(40)8-9-34-29(44)26(43)31(4,5)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,19-20,24-26,30,42-43H,1,6-14H2,2-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26?,30-/m1/s1", "name": "(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA", "names": [ "(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA" ] }, { "compound_id": "C11408", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m0/s1", "name": "(4S,6S)-cis-Carveol", "names": [ "(4S,6S)-cis-Carveol" ] }, { "compound_id": "C11409", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m0/s1", "name": "(+)-trans-Carveol", "names": [ "(+)-trans-Carveol", "(4S,6R)-trans-Carveol" ] }, { "compound_id": "C11410", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1", "name": "(1R,2S,4S)- Neoiso-dihydrocarveol", "names": [ "(1R,2S,4S)- Neoiso-dihydrocarveol" ] }, { "compound_id": "C11411", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1", "name": "(1R,2R,4S)-Iso-dihydrocarveol", "names": [ "(1R,2R,4S)-Iso-dihydrocarveol" ] }, { "compound_id": "C11412", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1", "name": "(1R,4S)-Iso-dihydrocarvone", "names": [ "(1R,4S)-Iso-dihydrocarvone" ] }, { "compound_id": "C11413", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m0/s1", "name": "(1S,2S,4S)-Dihydrocarveol", "names": [ "(+)-Dihydrocarveol", "(1S,2S,4S)-Dihydrocarveol" ] }, { "compound_id": "C11414", "inchi": "InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1", "name": "(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone", "names": [ "(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone", "4-Isopropenyl-7-methyloxepan-2-one" ] }, { "compound_id": "C11415", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1", "name": "(1S,4S)-Dihydrocarvone", "names": [ "(1S,4S)-Dihydrocarvone" ] }, { "compound_id": "C11416", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10+/m0/s1", "name": "(1S,2R,4S)-Neo-dihydrocarveol", "names": [ "(1S,2R,4S)-Neo-dihydrocarveol" ] }, { "compound_id": "C11417", "inchi": "InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/t8?,9-/m0/s1", "name": "(3S)-6-Hydroxy-3-isopropenyl-heptanoate", "names": [ "(3S)-6-Hydroxy-3-isopropenyl-heptanoate", "6-Hydroxy-3-isopropenylheptanoate" ] }, { "compound_id": "C11418", "inchi": "InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)10(11)12-6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1", "name": "(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone", "names": [ "(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone" ] }, { "compound_id": "C11419", "inchi": "InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/t9-/m0/s1", "name": "(3S)-3-Isopropenyl-6-oxoheptanoate", "names": [ "(3S)-3-Isopropenyl-6-oxoheptanoate", "(3S)-3-Isopropenyl-6-oxoheptanoic acid" ] }, { "compound_id": "C11420", "inchi": "InChI=1S/C10H18O3/c1-7(2)9(6-11)5-4-8(3)10(12)13/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/t8?,9-/m0/s1", "name": "(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate", "names": [ "(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate" ] }, { "compound_id": "C11421", "inchi": "InChI=1S/C31H50N7O18P3S/c1-17(2)19(7-6-18(3)39)12-22(41)60-11-10-33-21(40)8-9-34-29(44)26(43)31(4,5)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,19-20,24-26,30,42-43H,1,6-14H2,2-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24+,25+,26?,30+/m0/s1", "name": "(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA", "names": [ "(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA" ] }, { "compound_id": "C11422", "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H", "name": "Phenanthrene", "names": [ "Phenanthracene", "Phenanthrene" ] }, { "compound_id": "C11425", "inchi": "InChI=1S/C14H10O4/c15-13(16)14(17)8-7-10-6-5-9-3-1-2-4-11(9)12(10)18-14/h1-8,17H,(H,15,16)", "name": "2-Hydroxy-2H-benzo[h]chromene-2-carboxylate", "names": [ "2-Hydroxy-2H-benzo[h]chromene-2-carboxylate" ] }, { "compound_id": "C11426", "inchi": "InChI=1S/C14H10O4/c15-12(14(17)18)8-7-10-6-5-9-3-1-2-4-11(9)13(10)16/h1-8,16H,(H,17,18)/b8-7+", "name": "cis-4-(1'-Hydroxynaphth-2'-yl)-2-oxobut-3-enoate", "names": [ "cis-4-(1'-Hydroxynaphth-2'-yl)-2-oxobut-3-enoate" ] }, { "compound_id": "C11427", "inchi": "InChI=1S/C11H8O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-7,13H", "name": "1-Hydroxy-2-naphthaldehyde", "names": [ "1-Hydroxy-2-naphthaldehyde" ] }, { "compound_id": "C11428", "inchi": "InChI=1S/C14H12O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8,13-16H/t13-,14-/m0/s1", "name": "trans-9(S),10(S)-Dihydrodiolphenanthrene", "names": [ "trans-9(S),10(S)-Dihydrodiolphenanthrene" ] }, { "compound_id": "C11429", "inchi": "InChI=1S/C14H10O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-14/h1-8,13-14H/t13-,14+", "name": "Phenanthrene-9,10-oxide", "names": [ "Phenanthrene-9,10-oxide" ] }, { "compound_id": "C11430", "inchi": "InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H", "name": "9-Hydroxyphenanthrene", "names": [ "9-Hydroxyphenanthrene", "9-Phenanthrol" ] }, { "compound_id": "C11431", "inchi": "InChI=1S/C14H10O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14(12)15-13/h1-8,13-14H/t13-,14+/m1/s1", "name": "Phenanthrene-1,2-oxide", "names": [ "Phenanthrene-1,2-oxide" ] }, { "compound_id": "C11432", "inchi": "InChI=1S/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H", "name": "1-Phenanthrol", "names": [ "1-Hydroxyphenanthrene", "1-Phenanthrol" ] }, { "compound_id": "C11433", "inchi": "InChI=1S/C15H12O/c1-16-15-8-4-7-13-12-6-3-2-5-11(12)9-10-14(13)15/h2-10H,1H3", "name": "1-Methoxyphenanthrene", "names": [ "1-Methoxyphenanthrene" ] }, { "compound_id": "C11434", "inchi": "InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1", "name": "2-C-Methyl-D-erythritol 4-phosphate", "names": [ "2-C-Methyl-D-erythritol 4-phosphate" ] }, { "compound_id": "C11435", "inchi": "InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1", "name": "4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol", "names": [ "4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol" ] }, { "compound_id": "C11436", "inchi": "InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1", "name": "2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol", "names": [ "2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol" ] }, { "compound_id": "C11437", "inchi": "InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1", "name": "1-Deoxy-D-xylulose 5-phosphate", "names": [ "1-Deoxy-D-xylulose 5-phosphate" ] }, { "compound_id": "C11438", "inchi": "InChI=1S/C43H42ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,28,31-32,35-36,38,41,48,50-51H,1,19-20,45H2,2-6H3,(H,46,52)/b22-9+/t28-,31-,32+,35?,36?,38?,41+,43+/m0/s1", "name": "C-1027 Chromophore", "names": [ "C-1027", "C-1027 Chromophore" ] }, { "compound_id": "C11439", "inchi": null, "name": "Formyl-L-methionyl peptide", "names": [ "Formyl-L-methionyl peptide" ] }, { "compound_id": "C11440", "inchi": null, "name": "Methionyl peptide", "names": [ "Methionyl peptide" ] }, { "compound_id": "C11441", "inchi": "InChI=1S/C43H42ClN3O12/c1-22-39(51)46-35-27(18-26(53-6)19-31(35)55-22)40(52)57-32-21-54-34(48)20-29(45)24-13-15-30(28(44)17-24)56-33-11-7-9-23(32)12-14-25-10-8-16-43(25,33)59-41-37(50)36(49)38(47(4)5)42(2,3)58-41/h8-10,13,15-19,29,32-33,36-38,41,49-50H,1,20-21,45H2,2-6H3,(H,46,51)/b23-9+/t29-,32-,33+,36?,37?,38?,41+,43+/m0/s1", "name": "Deshydroxy-C-1027 chromophore", "names": [ "Deshydroxy-C-1027 chromophore" ] }, { "compound_id": "C11442", "inchi": "InChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/t28-,31-,34?,35?,37?,38+,41+,43+/m0/s1", "name": "Aromatized C-1027 chromophore", "names": [ "Aromatized C-1027 chromophore" ] }, { "compound_id": "C11443", "inchi": "InChI=1S/C43H44ClN3O12/c1-20-39(51)46-34-26(16-23(53-6)17-31(34)55-20)40(52)57-32-19-54-33(48)18-29(45)21-10-12-30(28(44)15-21)56-38-24-11-9-22(32)14-25(24)27-8-7-13-43(27,38)59-41-36(50)35(49)37(47(4)5)42(2,3)58-41/h7-17,29,32,35-38,41,49-50H,1,18-19,45H2,2-6H3,(H,46,51)/t29-,32-,35?,36?,37?,38+,41+,43+/m0/s1", "name": "Aromatized deshydroxy-C-1027 chromophore", "names": [ "Aromatized deshydroxy-C-1027 chromophore" ] }, { "compound_id": "C11444", "inchi": null, "name": "Acetyl-[pcp]", "names": [ "Acetyl-[pcp]" ] }, { "compound_id": "C11445", "inchi": "InChI=1S/C14H8O2/c1-3-10(12-9-15-12)6-7-11-4-2-8-14(11)13(5-1)16-14/h2-4,8,12-13H,9H2/b10-3+", "name": "4-(1,2-Epoxyethyl)-8,9-epoxy-enediyne", "names": [ "4-(1,2-Epoxyethyl)-8,9-epoxy-enediyne" ] }, { "compound_id": "C11446", "inchi": "InChI=1S/C14H10O3/c15-9-12(16)10-3-1-5-13-14(17-13)8-2-4-11(14)7-6-10/h2-4,8,12-13,15-16H,9H2/b10-3+/t12-,13-,14+/m0/s1", "name": "4-Dihydroxyethyl-8,9-epoxy-enediyne", "names": [ "4-Dihydroxyethyl-8,9-epoxy-enediyne" ] }, { "compound_id": "C11447", "inchi": "InChI=1S/C19H33N3O14P2/c1-9-7-22(18(27)20-16(9)26)12-6-10(23)11(33-12)8-32-37(28,29)36-38(30,31)35-17-14(25)13(24)15(21(4)5)19(2,3)34-17/h7,10-15,17,23-25H,6,8H2,1-5H3,(H,28,29)(H,30,31)(H,20,26,27)/t10-,11+,12+,13?,14+,15-,17+/m0/s1", "name": "dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose", "names": [ "dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose" ] }, { "compound_id": "C11448", "inchi": "InChI=1S/C32H43N8O20P3S/c1-15-28(44)39-21-17(9-16(54-4)10-18(21)57-15)31(46)64-8-7-34-20(41)5-6-35-29(45)25(43)32(2,3)12-56-63(52,53)60-62(50,51)55-11-19-24(59-61(47,48)49)23(42)30(58-19)40-14-38-22-26(33)36-13-37-27(22)40/h9-10,13-14,19,23-25,30,42-43H,1,5-8,11-12H2,2-4H3,(H,34,41)(H,35,45)(H,39,44)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,23-,24-,25?,30-/m1/s1", "name": "3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carbonyl-CoA", "names": [ "3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carbonyl-CoA", "Benzoxazolinyl-CoA" ] }, { "compound_id": "C11449", "inchi": null, "name": "3-Amino-3-(5-chloro-3,4-dihydroxyphenyl)propanoyl-[pcp]", "names": [ "3-Amino-3-(5-chloro-3,4-dihydroxyphenyl)propanoyl-[pcp]" ] }, { "compound_id": "C11453", "inchi": "InChI=1S/C4H10O10P2/c5-2-4(7)3(6)1-12-15(8,9)14-16(10,11)13-4/h3,5-7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+/m1/s1", "name": "2-C-Methyl-D-erythritol 2,4-cyclodiphosphate", "names": [ "2-C-Methyl-D-erythritol 2,4-cyclodiphosphate", "3-Methyl-1,2,3,4-tetrahydroxybutane-1,3-cyclic bisphosphate" ] }, { "compound_id": "C11455", "inchi": "InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1", "name": "4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol", "names": [ "4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol" ] }, { "compound_id": "C11456", "inchi": "InChI=1S/C9H12O4/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5,7-8,10-11H,1H3,(H,12,13)/t5?,7-,8+/m0/s1", "name": "cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol", "names": [ "cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol" ] }, { "compound_id": "C11457", "inchi": "InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)", "name": "3-(3-Hydroxyphenyl)propanoic acid", "names": [ "3-(3-Hydroxyphenyl)propanoate", "3-(3-Hydroxyphenyl)propanoic acid", "3-Hydroxyphenylpropanoate", "Dihydro-3-coumaric acid" ] }, { "compound_id": "C11458", "inchi": "InChI=1S/C8H16NO/c1-5-6-8(10)7-9(2,3)4/h5-6H,7H2,1-4H3/q+1/b6-5+", "name": "Crotono-betaine", "names": [ "Crotono-betaine" ] }, { "compound_id": "C11459", "inchi": "InChI=1S/C8H18NO/c1-5-6-8(10)7-9(2,3)4/h5-7H2,1-4H3/q+1", "name": "Butyro-betaine", "names": [ "Butyro-betaine" ] }, { "compound_id": "C11460", "inchi": "InChI=1S/C17H26N2O15P2/c1-7-5-19(16(25)18-14(7)24)10-4-8(20)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(22)11(21)13(23)17(2,3)32-15/h5,8-12,15,20-22H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,18,24,25)/t8-,9+,10+,11-,12+,15+/m0/s1", "name": "dTDP-4-oxo-5-C-methyl-L-rhamnose", "names": [ "dTDP-4-oxo-5-C-methyl-L-rhamnose", "dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose" ] }, { "compound_id": "C11461", "inchi": "InChI=1S/C17H29N3O14P2/c1-7-5-20(16(25)19-14(7)24)10-4-8(21)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(23)11(22)13(18)17(2,3)32-15/h5,8-13,15,21-23H,4,6,18H2,1-3H3,(H,26,27)(H,28,29)(H,19,24,25)/t8-,9+,10+,11-,12+,13-,15+/m0/s1", "name": "dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose", "names": [ "dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose" ] }, { "compound_id": "C11462", "inchi": "InChI=1S/C19H23N6O10P/c20-9(3-8-1-2-10(26)11(27)4-8)19(30)35-36(31,32)33-5-12-14(28)15(29)18(34-12)25-7-24-13-16(21)22-6-23-17(13)25/h1-2,4,6-7,9,12,14-15,18,26-29H,3,5,20H2,(H,31,32)(H2,21,22,23)/t9-,12+,14+,15+,18+/m0/s1", "name": "3-Hydroxy-L-tyrosyl-AMP", "names": [ "3,4-Dihydroxy-L-phenylalanyl-AMP", "3-Hydroxy-L-tyrosyl-AMP" ] }, { "compound_id": "C11463", "inchi": null, "name": "3,4-Dihydroxy-L-phenylalanyl-[pcp]", "names": [ "3,4-Dihydroxy-L-phenylalanyl-[pcp]" ] }, { "compound_id": "C11464", "inchi": null, "name": "5-Chloro-3,4-dihydroxy-L-phenylalanyl-[pcp]", "names": [ "5-Chloro-3,4-dihydroxy-L-phenylalanyl-[pcp]" ] }, { "compound_id": "C11465", "inchi": "InChI=1S/C7H7NO4/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2,9-10H,8H2,(H,11,12)", "name": "3,5-Dihydroxyanthranilate", "names": [ "3,5-Dihydroxyanthranilate", "3,5-Dihydroxyanthranilic acid" ] }, { "compound_id": "C11466", "inchi": "InChI=1S/C8H9NO4/c1-13-4-2-5(8(11)12)7(9)6(10)3-4/h2-3,10H,9H2,1H3,(H,11,12)", "name": "5-Methoxy-3-hydroxyanthranilate", "names": [ "5-Methoxy-3-hydroxyanthranilate", "5-Methoxy-3-hydroxyanthranilic acid" ] }, { "compound_id": "C11467", "inchi": "InChI=1S/C11H11NO6/c1-5(13)10(15)12-9-7(11(16)17)3-6(18-2)4-8(9)14/h3-4,14H,1-2H3,(H,12,15)(H,16,17)", "name": "N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate", "names": [ "N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate", "N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid" ] }, { "compound_id": "C11468", "inchi": "InChI=1S/C11H9NO5/c1-5-10(13)12-9-7(11(14)15)3-6(16-2)4-8(9)17-5/h3-4H,1H2,2H3,(H,12,13)(H,14,15)", "name": "3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid", "names": [ "3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid", "Benzoxazolinate" ] }, { "compound_id": "C11469", "inchi": "InChI=1S/C55H74IN3O21S4/c1-12-57-30-24-73-35(22-34(30)68-6)78-48-43(63)40(26(3)75-53(48)77-33-17-15-13-14-16-19-55(67)23-32(61)41(58-54(66)72-10)38(33)29(55)18-20-82-84-81-11)59-80-36-21-31(60)50(28(5)74-36)83-51(65)37-25(2)39(56)46(49(71-9)45(37)69-7)79-52-44(64)47(70-8)42(62)27(4)76-52/h13-14,18,26-28,30-31,33-36,40,42-44,47-48,50,52-53,57,59-60,62-64,67H,12,20-24H2,1-11H3,(H,58,66)/b14-13-,29-18+/t26?,27?,28?,30?,31?,33-,34?,35?,36?,40?,42?,43?,44?,47?,48?,50?,52?,53+,55-/m0/s1", "name": "Calicheamicin gamma(1)I", "names": [ "Calicheamicin gamma(1)I", "Calichemicin gamma1" ] }, { "compound_id": "C11471", "inchi": "InChI=1S/C30H19NO9/c1-12-19(28(37)38)27(39-2)13-7-5-3-4-6-8-18-29(12)30(13,40-29)14-11-17(34)22-23(24(14)31-18)26(36)21-16(33)10-9-15(32)20(21)25(22)35/h3-4,9-13,18,31-34H,1-2H3,(H,37,38)/b4-3-/t12-,13-,18?,29-,30+/m0/s1", "name": "Dynemicin A", "names": [ "Dynemicin A" ] }, { "compound_id": "C11472", "inchi": "InChI=1S/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3+,4+,5+,6-,7?/m1/s1", "name": "D-glycero-D-manno-Heptose 1,7-bisphosphate", "names": [ "D-glycero-D-manno-Heptose 1,7-bisphosphate" ] }, { "compound_id": "C11473", "inchi": "InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3", "name": "Thiocyclam", "names": [ "Evisect", "Thiocyclam" ] }, { "compound_id": "C11474", "inchi": "InChI=1S/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3", "name": "Nereistoxin", "names": [ "Nereistoxin" ] }, { "compound_id": "C11475", "inchi": null, "name": "DNA containing guanine", "names": [ "DNA containing guanine" ] }, { "compound_id": "C11476", "inchi": "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2", "name": "L-Arabinose", "names": [ "L-Arabinose" ] }, { "compound_id": "C11477", "inchi": null, "name": "Sugar", "names": [ "Sugar" ] }, { "compound_id": "C11478", "inchi": null, "name": "tRNA containing 5-aminomethyl-2-thiouridine", "names": [ "tRNA containing 5-aminomethyl-2-thiouridine", "tRNA containing nm5s2U" ] }, { "compound_id": "C11480", "inchi": "InChI=1S/C8H10O2/c1-7(6-9)4-3-5-8(2)10/h3-6H,1-2H3/b5-3+,7-4+", "name": "2-Methyl-6-oxohepta-2,4-dienal", "names": [ "2-Methyl-6-oxohepta-2,4-dienal" ] }, { "compound_id": "C11481", "inchi": "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1", "name": "HSO3-", "names": [ "Bisulfite", "HSO3-", "Hydrogen sulfite" ] }, { "compound_id": "C11482", "inchi": null, "name": "Holo-Lys2", "names": [ "Holo-Lys2", "[Enzyme]-Phosphopantetheine", "[Enzyme]-acyl-binding site" ] }, { "compound_id": "C11483", "inchi": "InChI=1S/C19H23N3O2/c1-4-20-12-17(23)21-16-10-8-15(9-11-16)19(24)22-18-13(2)6-5-7-14(18)3/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24)", "name": "MEGA", "names": [ "MEGA" ] }, { "compound_id": "C11484", "inchi": "InChI=1S/C17H19N3O2/c1-11-4-3-5-12(2)16(11)20-17(22)13-6-8-14(9-7-13)19-15(21)10-18/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22)", "name": "GA", "names": [ "GA" ] }, { "compound_id": "C11485", "inchi": "InChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)17-15(18)12-6-8-13(16)9-7-12/h3-9H,16H2,1-2H3,(H,17,18)", "name": "LY201116", "names": [ "Ameltolide", "LY201116" ] }, { "compound_id": "C11486", "inchi": "InChI=1S/C17H18N2O2/c1-11-5-4-6-12(2)16(11)19-17(21)14-7-9-15(10-8-14)18-13(3)20/h4-10H,1-3H3,(H,18,20)(H,19,21)", "name": "NAC", "names": [ "NAC" ] }, { "compound_id": "C11487", "inchi": "InChI=1S/C10H13NO/c1-2-11-10(12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)", "name": "EPA", "names": [ "EPA", "N-Ethylphenylacetamide" ] }, { "compound_id": "C11488", "inchi": "InChI=1S/C3H7NO2/c1-4(2-5)3-6/h2,6H,3H2,1H3", "name": "HMMF", "names": [ "HMMF", "N-Hydroxymethyl-N-methylformamide" ] }, { "compound_id": "C11489", "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)", "name": "NMF", "names": [ "N-Methylformamide", "NMF" ] }, { "compound_id": "C11490", "inchi": "InChI=1S/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)/t5-/m0/s1", "name": "AMCC", "names": [ "AMCC", "N-Acetyl-S-(N-methylcarbamoyl)cysteine" ] }, { "compound_id": "C11491", "inchi": "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,14,15)", "name": "NOP", "names": [ "2-(2-Naphthalenyloxy)propanoic acid", "2-(2-Naphthoxy)propionic acid", "NOP" ] }, { "compound_id": "C11492", "inchi": "InChI=1S/C14H14O3/c1-10(14(15)16-2)17-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3", "name": "NOPM", "names": [ "2-(2-Naphthoxy)propionic acid methyl ester", "NOPM" ] }, { "compound_id": "C11493", "inchi": "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)", "name": "Carfentrazone", "names": [ "Carfentrazone" ] }, { "compound_id": "C11494", "inchi": "InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)", "name": "Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate", "names": [ "Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate" ] }, { "compound_id": "C11495", "inchi": "InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)11-7-6-10(3)8-12(11)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)", "name": "Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate", "names": [ "Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate" ] }, { "compound_id": "C11496", "inchi": "InChI=1S/C5H12O4S2/c1-5(6)4-10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)/t5-/m1/s1", "name": "(R)-2-Hydroxypropyl-CoM", "names": [ "(R)-2-Hydroxypropyl-CoM", "2-(R)-Hydroxypropyl-CoM" ] }, { "compound_id": "C11497", "inchi": "InChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9)", "name": "2-Oxopropyl-CoM", "names": [ "2-(2-Oxopropylthio)ethanesulfonate", "2-Oxopropyl-CoM" ] }, { "compound_id": "C11498", "inchi": "InChI=1S/C5H12O4S2/c1-5(6)4-10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)/t5-/m0/s1", "name": "(S)-2-Hydroxypropyl-CoM", "names": [ "(S)-2-Hydroxypropyl-CoM", "2-(S)-Hydroxypropyl-CoM" ] }, { "compound_id": "C11499", "inchi": "InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m1/s1", "name": "(S)-3-Sulfolactate", "names": [ "(2S)-3-Sulfolactate", "(S)-3-Sulfolactate" ] }, { "compound_id": "C11500", "inchi": "InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1", "name": "5'-Dehydroadenosine", "names": [ "5'-Dehydroadenosine" ] }, { "compound_id": "C11501", "inchi": "InChI=1S/C10H11N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9,16-17H,(H,18,19)(H2,11,12,13)/t4-,5+,6-,9+/m0/s1", "name": "9-Riburonosyladenine", "names": [ "9-Riburonosyladenine" ] }, { "compound_id": "C11502", "inchi": "InChI=1S/C34H58N4O24S2/c1-7(41)35-9(31(57)37-13-17(45)15(43)11(3-39)59-33(13)61-29-25(53)21(49)19(47)22(50)26(29)54)5-63-64-6-10(36-8(2)42)32(58)38-14-18(46)16(44)12(4-40)60-34(14)62-30-27(55)23(51)20(48)24(52)28(30)56/h9-30,33-34,39-40,43-56H,3-6H2,1-2H3,(H,35,41)(H,36,42)(H,37,57)(H,38,58)/t9-,10-,11+,12+,13-,14?,15+,16+,17+,18+,19-,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30?,33+,34?/m0/s1", "name": "Mycothione", "names": [ "Mycothione" ] }, { "compound_id": "C11503", "inchi": "InChI=1S/C9H7NO2/c11-8-5-10-7-4-2-1-3-6(7)9(8)12/h1-5,11H,(H,10,12)", "name": "3-Hydroxy-1H-quinolin-4-one", "names": [ "3-Hydroxy-1H-quinolin-4-one" ] }, { "compound_id": "C11504", "inchi": "InChI=1S/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13)", "name": "3-Hydroxy-2-methyl-1H-quinolin-4-one", "names": [ "3-Hydroxy-2-methyl-1H-quinolin-4-one" ] }, { "compound_id": "C11505", "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3", "name": "Propylene", "names": [ "Propene", "Propylene" ] }, { "compound_id": "C11506", "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m1/s1", "name": "(2R)-1,2-Epoxypropane", "names": [ "(2R)-1,2-Epoxypropane" ] }, { "compound_id": "C11507", "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1", "name": "(S)-1,2-Epoxypropane", "names": [ "(S)-1,2-Epoxypropane" ] }, { "compound_id": "C11508", "inchi": "InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3/t20-,21+,23-,24+,27+,28-,29+/m1/s1", "name": "4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol", "names": [ "4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol", "delta8,14 -Sterol" ] }, { "compound_id": "C11509", "inchi": "InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24?,25-,26+,27-,28-,29+/m1/s1", "name": "3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde", "names": [ "3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde" ] }, { "compound_id": "C11510", "inchi": "InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3", "name": "2,4.6-Trichloroanisole", "names": [ "2,4.6-Trichloroanisole" ] }, { "compound_id": "C11511", "inchi": "InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1", "name": "threo-3-Hydroxy-L-aspartate", "names": [ "L-threo-3-Hydroxyaspartate", "threo-3-Hydroxy-L-aspartate" ] }, { "compound_id": "C11512", "inchi": "InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1", "name": "Methyl jasmonate", "names": [ "(-)-Methyl jasmonate", "Methyl jasmonate" ] }, { "compound_id": "C11513", "inchi": "InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h21-26,32H,1,9-19H2,2-8H3/t21-,22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1", "name": "(24R)-24-Methylcycloarta-25-en-3-beta-ol", "names": [ "(24R)-24-Methylcycloarta-25-en-3-beta-ol" ] }, { "compound_id": "C11514", "inchi": "InChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/b4-2+", "name": "(E)-3-(Methoxycarbonyl)pent-2-enedioate", "names": [ "(E)-3-(Methoxycarbonyl)pent-2-enedioate" ] }, { "compound_id": "C11515", "inchi": "InChI=1S/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)/b4-2+", "name": "(E)-2-(Methoxycarbonylmethyl)butenedioate", "names": [ "(E)-2-(Methoxycarbonylmethyl)butenedioate" ] }, { "compound_id": "C11516", "inchi": "InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4+,5-,6+,7+,9-/m1/s1", "name": "2-(alpha-D-Mannosyl)-3-phosphoglycerate", "names": [ "2-(alpha-D-Mannosyl)-3-phosphoglycerate" ] }, { "compound_id": "C11519", "inchi": "InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)", "name": "N-Cyclohexylformamide", "names": [ "N-Cyclohexylformamide" ] }, { "compound_id": "C11520", "inchi": "InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2", "name": "Cyclohexyl isocyanide", "names": [ "Cyclohexaneisonitrile", "Cyclohexyl isocyanide", "N-Cyclohexylisocyanide" ] }, { "compound_id": "C11521", "inchi": "InChI=1S/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,28)35-14-12(23)10(21)9(20)6(34-14)4-39(29,30)31/h1-2,5-6,8-14,19-23H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24)(H,29,30,31)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1", "name": "UDP-6-sulfoquinovose", "names": [ "UDP-6-sulfoquinovose" ] }, { "compound_id": "C11522", "inchi": "InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3/t20-,21+,23?,24?,25?,26?,27+,28-,29+/m1/s1", "name": "24-Methylenelophenol", "names": [ "24-Methylenelophenol", "4-alpha-Methyl-5-alpha-ergosta-7,24-dien-3-beta-ol" ] }, { "compound_id": "C11523", "inchi": "InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26+,27+,28+,29-,30+/m1/s1", "name": "24-Ethylidenelophenol", "names": [ "(Z)-24-Ethylidenelophenol", "24-Ethylidenelophenol", "4-alpha-Methyl-5-alpha-stigmasta-7,Z-24-dien-3-beta-ol", "alpha1-Sitosterol" ] }, { "compound_id": "C11524", "inchi": null, "name": "Diphospho-myo-inositol polyphosphate", "names": [ "Diphospho-myo-inositol polyphosphate" ] }, { "compound_id": "C11525", "inchi": null, "name": "myo-Inositol polyphosphate", "names": [ "myo-Inositol polyphosphate" ] }, { "compound_id": "C11526", "inchi": "InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+", "name": "5-PP-InsP5", "names": [ "1D-myo-Inositol 5-diphosphate pentakisphosphate", "1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate", "5-Diphosphoinositol pentakisphosphate", "5-PP-InsP5" ] }, { "compound_id": "C11527", "inchi": "InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)", "name": "4-Hydroxymandelate", "names": [ "4-Hydroxymandelate", "4-Hydroxymandelic acid" ] }, { "compound_id": "C11529", "inchi": null, "name": "N-Carbamoyl-L-amino acid", "names": [ "N-Carbamoyl-L-2-amino acid", "N-Carbamoyl-L-amino acid" ] }, { "compound_id": "C11531", "inchi": null, "name": "6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranoside", "names": [ "6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranoside", "beta-Primeveroside" ] }, { "compound_id": "C11535", "inchi": "InChI=1S/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2/t3-,4-,5+,6-,7+,8-,9-,10-,11+/m1/s1", "name": "6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose", "names": [ "6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose", "beta-Primeverose" ] }, { "compound_id": "C11536", "inchi": "InChI=1S/C3H7O9PS/c4-3(5)2(1-14(9,10)11)12-13(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H,9,10,11)/t2-/m0/s1", "name": "(2R)-O-Phospho-3-sulfolactate", "names": [ "(2R)-O-Phospho-3-sulfolactate", "(2R)-Phosphosulfolactate" ] }, { "compound_id": "C11537", "inchi": "InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m0/s1", "name": "(2R)-3-Sulfolactate", "names": [ "(2R)-3-Sulfolactate", "(R)-3-Sulfolactate" ] }, { "compound_id": "C11538", "inchi": "InChI=1S/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23-,24-,41+,42+;/m1./s1", "name": "Cobalt-sirohydrochlorin", "names": [ "Cobalt-factor II", "Cobalt-sirohydrochlorin" ] }, { "compound_id": "C11539", "inchi": "InChI=1S/C43H49N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H9,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q-1;+2/p-1/b41-19-;/t22?,24-,25-,42+,43+;/m1./s1", "name": "Cobalt-precorrin 3", "names": [ "Cobalt-precorrin 3" ] }, { "compound_id": "C11540", "inchi": "InChI=1S/C44H51N4O16.Co/c1-20-44-40-25(14-37(59)60)41(2,12-11-35(55)56)30(47-40)16-27-21(5-8-32(49)50)22(13-36(57)58)26(45-27)15-28-23(6-9-33(51)52)42(3,18-38(61)62)31(46-28)17-29(48-44)24(7-10-34(53)54)43(44,4)19-39(63)64-20;/h15,17,20,23-24H,5-14,16,18-19H2,1-4H3,(H8,46,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-1;+2/p-1/b28-15-;/t20?,23-,24-,41-,42+,43+,44?;/m1./s1", "name": "Cobalt-precorrin 4", "names": [ "Cobalt-precorrin 4" ] }, { "compound_id": "C11541", "inchi": "InChI=1S/C45H54N4O16.Co/c1-21-45-40-26(15-37(60)61)41(2,13-12-35(56)57)30(47-40)16-27-22(6-9-32(50)51)25(14-36(58)59)44(5,48-27)18-29-23(7-10-33(52)53)42(3,19-38(62)63)31(46-29)17-28(49-45)24(8-11-34(54)55)43(45,4)20-39(64)65-21;/h16-17,21,24,26H,6-15,18-20H2,1-5H3,(H8,46,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/b30-16-;/t21?,24-,26?,41-,42+,43+,44+,45?;/m1./s1", "name": "Cobalt-precorrin 5", "names": [ "Cobalt-precorrin 5" ] }, { "compound_id": "C11542", "inchi": "InChI=1S/C44H54N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-1/t23-,40-,41+,42+,43+,44+;/m1./s1", "name": "Cobalt-precorrin 6", "names": [ "Cobalt-precorrin 6", "Cobalt-precorrin 6A" ] }, { "compound_id": "C11543", "inchi": "InChI=1S/C44H56N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23,25,39H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-1/t23-,25+,39-,40-,41+,42+,43+,44+;/m1./s1", "name": "Cobalt-dihydro-precorrin 6", "names": [ "Cobalt-dihydro-precorrin 6", "Cobalt-precorrin 6B" ] }, { "compound_id": "C11544", "inchi": "InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4?,5-,6+,7+,9?/m1/s1", "name": "2(alpha-D-Mannosyl)-D-glycerate", "names": [ "2(alpha-D-Mannosyl)-D-glycerate", "2-O-(alpha-Mannopyranosyl)-D-glycerate", "alpha-Mannosylglycerate" ] }, { "compound_id": "C11545", "inchi": "InChI=1S/C45H60N4O14.Co/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57;/h21,26-27,40H,9-20H2,1-8H3,(H8,46,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t21?,26-,27+,40-,41-,42+,43+,44+,45+;/m1./s1", "name": "Cobalt-precorrin 8", "names": [ "Cobalt-precorrin 8" ] }, { "compound_id": "C11546", "inchi": "InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9-/m1/s1", "name": "2-(beta-D-Glucosyl)-sn-glycerol", "names": [ "2-(beta-D-Glucosyl)-sn-glycerol" ] }, { "compound_id": "C11547", "inchi": null, "name": "3-(Acyloxy)acyl group of bacterial toxin", "names": [ "3-(Acyloxy)acyl group of bacterial toxin" ] }, { "compound_id": "C11548", "inchi": null, "name": "3-Hydroxyacyl group of bacterial toxin", "names": [ "3-Hydroxyacyl group of bacterial toxin" ] }, { "compound_id": "C11549", "inchi": null, "name": "Poly[(R)-3-hydroxyoctanoate]n", "names": [ "Poly[(R)-3-hydroxyoctanoate]n", "Poly[(R)-3-hydroxyoctanoate]n-x" ] }, { "compound_id": "C11550", "inchi": null, "name": "Poly[(R)-3-hydroxyoctanoate]x", "names": [ "Poly[(R)-3-hydroxyoctanoate]x" ] }, { "compound_id": "C11551", "inchi": null, "name": "Poly[(R)-3-hydroxybutanoate]n-x", "names": [ "Poly[(R)-3-hydroxybutanoate]n", "Poly[(R)-3-hydroxybutanoate]n-x" ] }, { "compound_id": "C11552", "inchi": null, "name": "Poly[(R)-3-hydroxybutanoate]x", "names": [ "Poly[(R)-3-hydroxybutanoate]x" ] }, { "compound_id": "C11553", "inchi": null, "name": "[Heparan sulfate]-glucosamine 3-sulfate", "names": [ "[Heparan sulfate]-glucosamine 3-sulfate" ] }, { "compound_id": "C11554", "inchi": null, "name": "1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate", "names": [ "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4'-bisphosphate)", "1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate" ] }, { "compound_id": "C11555", "inchi": "InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m1/s1", "name": "1D-myo-Inositol 1,4,5,6-tetrakisphosphate", "names": [ "1D-myo-Inositol 1,4,5,6-tetrakisphosphate", "D-myo-Inositol 1,4,5,6-tetrakisphosphate", "Inositol 1,4,5,6-tetrakisphosphate" ] }, { "compound_id": "C11556", "inchi": null, "name": "1-Phosphatidyl-1D-myo-inositol 3,5-bisphosphate", "names": [ "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate)", "1-Phosphatidyl-1D-myo-inositol 3,5-bisphosphate" ] }, { "compound_id": "C11557", "inchi": null, "name": "1-Phosphatidyl-1D-myo-inositol 5-phosphate", "names": [ "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate)", "1-Phosphatidyl-1D-myo-inositol 5-phosphate" ] }, { "compound_id": "C11560", "inchi": "InChI=1S/C20H21N3O/c1-14-11-15(2)23(21-14)13-16(24)12-22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-11,16,24H,12-13H2,1-2H3", "name": "1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol", "names": [ "1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol" ] }, { "compound_id": "C11561", "inchi": "InChI=1S/C22H19ClN4O2/c1-14-10-18(11-15(2)22(14)23)29-13-21(28)24-16-8-9-19-20(12-16)26-27(25-19)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,24,28)", "name": "2-(4-Chloro-3,5-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide", "names": [ "2-(4-Chloro-3,5-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide" ] }, { "compound_id": "C11562", "inchi": "InChI=1S/C19H18ClN5O/c1-11-3-8-15-12(2)22-19(23-16(15)9-11)25-18(21)24-17(26)10-13-4-6-14(20)7-5-13/h3-9H,10H2,1-2H3,(H3,21,22,23,24,25,26)", "name": "N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-quinazolin-2-yl)-guanidine", "names": [ "N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-quinazolin-2-yl)-guanidine" ] }, { "compound_id": "C11563", "inchi": "InChI=1S/C25H21N3O2/c1-29-22-14-18-16-26-25-24(20(18)15-23(22)30-2)21(13-17-9-5-3-6-10-17)27-28(25)19-11-7-4-8-12-19/h3-12,14-16H,13H2,1-2H3", "name": "1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline", "names": [ "1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline" ] }, { "compound_id": "C11564", "inchi": "InChI=1S/C22H18N2O4/c1-14-6-9-16(10-7-14)27-13-21(26)23-15-8-11-19(25)17(12-15)22-24-18-4-2-3-5-20(18)28-22/h2-12,25H,13H2,1H3,(H,23,26)", "name": "N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide", "names": [ "N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide" ] }, { "compound_id": "C11565", "inchi": "InChI=1S/C18H15N3/c1-2-12-20-16-10-6-7-11-17(16)21-13-15(19-18(20)21)14-8-4-3-5-9-14/h2-11,13H,1,12H2", "name": "8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene", "names": [ "8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene" ] }, { "compound_id": "C11566", "inchi": "InChI=1S/C16H13ClN2O2/c1-20-14-5-3-2-4-13(14)16-18-15(19-21-16)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3", "name": "3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-[1,2,4]oxadiazole", "names": [ "3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-[1,2,4]oxadiazole" ] }, { "compound_id": "C11567", "inchi": "InChI=1S/C18H19N3S2/c19-16-15-13-8-4-5-9-14(13)23-17(15)21-18(20-16)22-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,19,20,21)", "name": "2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine", "names": [ "2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine" ] }, { "compound_id": "C11568", "inchi": "InChI=1S/C22H17N3O2/c1-2-27-20(26)13-25-19-10-6-5-9-16(19)21-22(25)24-18-12-15-8-4-3-7-14(15)11-17(18)23-21/h3-12H,2,13H2,1H3", "name": "(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl ester", "names": [ "(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl ester" ] }, { "compound_id": "C11569", "inchi": "InChI=1S/C20H15N3O2/c24-17-12-6-4-10-15(17)19-21-20(16-11-5-7-13-18(16)25)23(22-19)14-8-2-1-3-9-14/h1-13,24-25H", "name": "2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol", "names": [ "2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol" ] }, { "compound_id": "C11570", "inchi": "InChI=1S/C13H9ClN2OS/c1-8-6-7-11(18-8)13-16-15-12(17-13)9-4-2-3-5-10(9)14/h2-7H,1H3", "name": "2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiazole", "names": [ "2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiazole" ] }, { "compound_id": "C11571", "inchi": "InChI=1S/C16H16N2S/c1-11-6-8-12(9-7-11)13-10-18-14-4-2-3-5-15(14)19-16(18)17-13/h6-10H,2-5H2,1H3", "name": "2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole", "names": [ "2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole" ] }, { "compound_id": "C11572", "inchi": null, "name": "Glycoprotein with the oligosaccharide chain attached by N-glycosyl linkage to protein L-asparagine", "names": [ "Glycoprotein with the oligosaccharide chain attached by N-glycosyl linkage to protein L-asparagine" ] }, { "compound_id": "C11573", "inchi": "InChI=1S/C25H26O4/c1-15(2)10-12-18-23(27)19(13-11-16(3)4)25-22(24(18)28)20(26)14-21(29-25)17-8-6-5-7-9-17/h5-11,14,27-28H,12-13H2,1-4H3", "name": "6,8-Di-DMA-chrysin", "names": [ "6,8-Di-(3,3-DMA)chrysin", "6,8-Di-(3,3-dimethylallyl)chrysin", "6,8-Di-DMA-chrysin" ] }, { "compound_id": "C11574", "inchi": "InChI=1S/C25H26O4/c1-16(2)8-7-9-17(3)12-13-19-20(26)14-23-24(25(19)28)21(27)15-22(29-23)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,26,28H,7,9,13H2,1-3H3/b17-12+", "name": "6-Geranylchrysin", "names": [ "6-Geranylchrysin" ] }, { "compound_id": "C11575", "inchi": "InChI=1S/C25H26O4/c1-16(2)8-7-9-17(3)12-13-19-20(26)14-21(27)24-22(28)15-23(29-25(19)24)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,26-27H,7,9,13H2,1-3H3/b17-12+", "name": "8-Geranylchrysin", "names": [ "8-Geranylchrysin" ] }, { "compound_id": "C11576", "inchi": "InChI=1S/C20H18O5/c1-11(2)8-9-13-14(21)10-15-16(17(13)22)18(23)19(24)20(25-15)12-6-4-3-5-7-12/h3-8,10,21-22,24H,9H2,1-2H3", "name": "6-(3,3-DMA)galangin", "names": [ "6-(3,3-DMA)galangin", "6-(3,3-Dimethylallyl)galangin" ] }, { "compound_id": "C11577", "inchi": "InChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,17-18H,1H3", "name": "3-Methylgalangin", "names": [ "3-Methylgalangin" ] }, { "compound_id": "C11578", "inchi": "InChI=1S/C21H20O5/c1-12(2)9-10-14-15(22)11-16(23)17-18(24)21(25-3)19(26-20(14)17)13-7-5-4-6-8-13/h4-9,11,22-23H,10H2,1-3H3", "name": "8-(3,3-Dimethylallyl)-3-methylgalangin", "names": [ "8-(3,3-DMA)-3-methylgalangin", "8-(3,3-Dimethylallyl)-3-methylgalangin" ] }, { "compound_id": "C11579", "inchi": "InChI=1S/C21H20O5/c1-5-21(2,3)16-14(23)11-13(22)15-17(24)20(25-4)18(26-19(15)16)12-9-7-6-8-10-12/h5-11,22-23H,1H2,2-4H3", "name": "8-(1,1-Dimethylallyl)-3-methylgalangin", "names": [ "8-(1,1-DMA)-3-methylgalangin", "8-(1,1-Dimethylallyl)-3-methylgalangin" ] }, { "compound_id": "C11580", "inchi": "InChI=1S/C21H20O6/c1-5-21(2,3)16-14(23)10-13(22)15-17(24)18(25)19(27-20(15)16)11-6-8-12(26-4)9-7-11/h5-10,22-23,25H,1H2,2-4H3", "name": "8-(1,1-DMA)kaempferide", "names": [ "8-(1,1-DMA)kaempferide", "8-(1,1-Dimethylallyl)kaempferide" ] }, { "compound_id": "C11581", "inchi": "InChI=1S/C20H18O5/c1-4-20(2,3)15-13(22)10-12(21)14-16(23)17(24)18(25-19(14)15)11-8-6-5-7-9-11/h4-10,21-22,24H,1H2,2-3H3", "name": "8-(1,1-Dimethylallyl)galangin", "names": [ "8-(1,1-DMA)galangin", "8-(1,1-Dimethylallyl)galangin" ] }, { "compound_id": "C11582", "inchi": "InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H", "name": "2-Chlorophenylhydrazine hydrochloride", "names": [ "2-Chlorophenylhydrazine hydrochloride", "o-Chlorophenylhydrazine hydrochloride" ] }, { "compound_id": "C11583", "inchi": "InChI=1S/C17H30Cl2N5O8PS/c18-4-6-24(7-5-19)33(31)23-14(3-8-32-33)34-10-12(16(28)21-9-15(26)27)22-13(25)2-1-11(20)17(29)30/h11-12,14H,1-10,20H2,(H,21,28)(H,22,25)(H,23,31)(H,26,27)(H,29,30)", "name": "4-Glutathionyl cyclophosphamide", "names": [ "4-Glutathionyl cyclophosphamide" ] }, { "compound_id": "C11584", "inchi": "InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1", "name": "4-Methylumbelliferone glucuronide", "names": [ "4-Methylumbelliferone glucuronide", "4-Methylumbelliferyl glucuronide" ] }, { "compound_id": "C11585", "inchi": "InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)", "name": "4-Methylumbelliferone sulfate", "names": [ "4-Methylumbelliferone sulfate", "4-Methylumbelliferyl sulfate" ] }, { "compound_id": "C11586", "inchi": "InChI=1S/C16H16O7/c17-11-12(18)14(15(20)21)23-16(13(11)19)22-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-14,16-19H,(H,20,21)/t11-,12-,13+,14-,16+/m0/s1", "name": "alpha-Naphthyl-beta-D-glucuronide", "names": [ "1-Naphthyl glucuronide", "alpha-Naphthyl-beta-D-glucuronide" ] }, { "compound_id": "C11587", "inchi": "InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1", "name": "BQ 123", "names": [ "BQ 123", "Cyclo[D-trp-D-asp-L-pro-D-val-L-leu]" ] }, { "compound_id": "C11588", "inchi": "InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/t7-,9+/m0/s1", "name": "cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol", "names": [ "3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoate", "cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol", "cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol" ] }, { "compound_id": "C11589", "inchi": "InChI=1S/C32H38N6O7S/c1-17(2)13-21-28(41)34-22(14-18-16-33-20-8-4-3-7-19(18)20)29(42)36-23(15-26(39)40)32(45)38-11-5-9-24(38)30(43)37-27(31(44)35-21)25-10-6-12-46-25/h3-4,6-8,10,12,16-17,21-24,27,33H,5,9,11,13-15H2,1-2H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t21-,22+,23+,24-,27+/m0/s1", "name": "BQ 518", "names": [ "BQ 518" ] }, { "compound_id": "C11590", "inchi": "InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3", "name": "Beauvericin", "names": [ "Beauvericin" ] }, { "compound_id": "C11591", "inchi": "InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+", "name": "DIDS", "names": [ "4,4'-Diisothiocyanostilbene-2,2'-disulfonic acid", "DIDS" ] }, { "compound_id": "C11592", "inchi": "InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3", "name": "Diethyl pyrocarbonate", "names": [ "Diethyl pyrocarbonate" ] }, { "compound_id": "C11593", "inchi": "InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)", "name": "E3040", "names": [ "E3040" ] }, { "compound_id": "C11594", "inchi": "InChI=1S/C16H17N3O4S2/c1-9-12(7-11-5-4-6-18-8-11)13-15(24-16(17-3)19-13)10(2)14(9)23-25(20,21)22/h4-6,8H,7H2,1-3H3,(H,17,19)(H,20,21,22)", "name": "E3040 sulfate", "names": [ "E3040 sulfate" ] }, { "compound_id": "C11595", "inchi": "InChI=1S/C22H25N3O7S/c1-9-12(7-11-5-4-6-24-8-11)13-19(33-22(23-3)25-13)10(2)17(9)31-21-16(28)14(26)15(27)18(32-21)20(29)30/h4-6,8,14-16,18,21,26-28H,7H2,1-3H3,(H,23,25)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1", "name": "E3040 glucuronide", "names": [ "E3040 glucuronide" ] }, { "compound_id": "C11596", "inchi": "InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1", "name": "FMLP", "names": [ "FMLP", "N-Formyl-L-methionyl-L-leucyl-L-phenylalanine" ] }, { "compound_id": "C11597", "inchi": "InChI=1S/C25H30FN3O9/c1-10-8-28(6-5-27-10)15-7-14-16(11(2)17(15)26)18(30)13(9-29(14)12-3-4-12)24(36)38-25-21(33)19(31)20(32)22(37-25)23(34)35/h7,9-10,12,19-22,25,27,31-33H,3-6,8H2,1-2H3,(H,34,35)/t10?,19-,20-,21+,22-,25-/m0/s1", "name": "Grepafloxacin glucuronide", "names": [ "Grepafloxacin 3-glucuronide", "Grepafloxacin glucuronide" ] }, { "compound_id": "C11598", "inchi": "InChI=1S/ClH.H3NO/c;1-2/h1H;2H,1H2", "name": "Hydroxylamine hydrochloride", "names": [ "Hydroxylamine hydrochloride" ] }, { "compound_id": "C11599", "inchi": "InChI=1S/C28H18IN5O5/c1-38-28(37)17-5-3-2-4-16(17)24-18-8-6-14(30)12-22(18)39-23-13-15(7-9-19(23)24)32-27(36)20-10-11-21(33-34-31)25(29)26(20)35/h2-13,30,35H,1H3,(H,32,36)/p+1/i29-2", "name": "IAARh123", "names": [ "IAARh123", "[125I]Iodoaryl azido-rhodamine 123" ] }, { "compound_id": "C11600", "inchi": "InChI=1S/C26H27IN6O3/c1-2-14-13-33-9-7-15(14)10-22(33)25(35)17-6-8-29-24-16(17)4-3-5-20(24)30-26(36)18-11-19(27)21(31-32-28)12-23(18)34/h3-6,8,11-12,14-15,22,25,34-35H,2,7,9-10,13H2,1H3,(H,30,36)/t14-,15?,22-,25+/m0/s1/i27-2", "name": "IACI", "names": [ "IACI", "N-(Hydrocinchonidin-8'-yl)-4-azido-2-hydroxybenzamide" ] }, { "compound_id": "C11601", "inchi": "InChI=1S/C21H23N2S.ClHO4/c1-4-23-19-10-6-7-11-20(19)24-21(23)12-8-5-9-17-13-15-18(16-14-17)22(2)3;2-1(3,4)5/h5-16H,4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1", "name": "LDS-751", "names": [ "LDS-751" ] }, { "compound_id": "C11602", "inchi": "InChI=1S/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)/t21-,22-/m0/s1", "name": "MC-207,110", "names": [ "MC-207,110" ] }, { "compound_id": "C11603", "inchi": "InChI=1S/C23H34ClN5O8S/c24-7-8-29(15-3-1-14(2-4-15)11-17(26)23(36)37)9-10-38-13-18(21(33)27-12-20(31)32)28-19(30)6-5-16(25)22(34)35/h1-4,16-18H,5-13,25-26H2,(H,27,33)(H,28,30)(H,31,32)(H,34,35)(H,36,37)/t16-,17?,18-/m0/s1", "name": "Monochloro-monoglutathionyl melphalan", "names": [ "Monochloro-monoglutathionyl melphalan" ] }, { "compound_id": "C11604", "inchi": "InChI=1S/C23H44N6O5/c1-14(2)11-17(19(31)27-16(13-30)9-8-10-26-21(24)25)28-20(32)18(12-15(3)4)29-22(33)34-23(5,6)7/h13-18H,8-12H2,1-7H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t16?,17?,18-/m0/s1", "name": "N-tert-Butyloxycarbonyl-deacetyl-leupeptin", "names": [ "N-t-Boc-deacetyl-leupeptin", "N-tert-Butyloxycarbonyl-deacetyl-leupeptin" ] }, { "compound_id": "C11605", "inchi": "InChI=1S/C11H11N3O7S/c1-6(15)12-8(11(16)17)5-22-10-3-2-7(13(18)19)4-9(10)14(20)21/h2-4,8H,5H2,1H3,(H,12,15)(H,16,17)/t8-/m0/s1", "name": "NAc-DNP-Cys", "names": [ "N-Acetyl 2,4-dinitrophenyl cysteine", "N-Acetyl-S-(2,4-dinitrophenyl)-L-cysteine", "NAc-DNP-Cys" ] }, { "compound_id": "C11606", "inchi": "InChI=1S/C32H46N8O5/c1-3-4-16-24(39-31(45)27(37-21(2)41)20-23-14-9-6-10-15-23)29(43)38-25(17-11-18-36-32(34)35)30(44)40-26(28(33)42)19-22-12-7-5-8-13-22/h5-10,12-15,24-27H,3-4,11,16-20H2,1-2H3,(H2,33,42)(H,37,41)(H,38,43)(H,39,45)(H,40,44)(H4,34,35,36)", "name": "NAc-FnorLRF-amide", "names": [ "N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide", "NAc-FnorLRF-amide" ] }, { "compound_id": "C11607", "inchi": "InChI=1S/C41H69N7O8/c1-22(2)16-31(43-27(11)49)37(52)45-33(18-24(5)6)39(54)47-35(20-26(9)10)41(56)48-34(19-25(7)8)40(55)46-32(17-23(3)4)38(53)44-30(36(42)51)21-28-12-14-29(50)15-13-28/h12-15,22-26,30-35,50H,16-21H2,1-11H3,(H2,42,51)(H,43,49)(H,44,53)(H,45,52)(H,46,55)(H,47,54)(H,48,56)", "name": "N-Acetyl-leu-leu-leu-leu-leu-tyr-amide", "names": [ "N-Acetyl-leu-leu-leu-leu-leu-tyr-amide", "NAc-L5Y-amide" ] }, { "compound_id": "C11608", "inchi": "InChI=1S/C26H30O9/c1-26(2,25(32)34-24-21(29)19(27)20(28)22(33-24)23(30)31)35-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18-22,24,27-29H,5,7,9H2,1-2H3,(H,30,31)/t18?,19-,20-,21+,22-,24-/m0/s1", "name": "Nafenopin glucuronide", "names": [ "Nafenopin glucuronide" ] }, { "compound_id": "C11609", "inchi": "InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1", "name": "Nigericin", "names": [ "Nigericin" ] }, { "compound_id": "C11610", "inchi": "InChI=1S/C33H61N5O9/c1-16(2)12-22(36-32(46)28(18(5)6)38-33(47)29(19(7)8)37-30(44)20(9)10)24(39)14-26(41)34-21(11)31(45)35-23(13-17(3)4)25(40)15-27(42)43/h16-25,28-29,39-40H,12-15H2,1-11H3,(H,34,41)(H,35,45)(H,36,46)(H,37,44)(H,38,47)(H,42,43)/t21-,22-,23-,24-,25-,28-,29-/m0/s1", "name": "Pepsinostreptin", "names": [ "Isobutyryl-Val-Val-Sta-Ala-Sta", "N-Isobutyrylpepstatin", "Pepsinostreptin" ] }, { "compound_id": "C11611", "inchi": "InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1", "name": "Phenyl beta-D-glucopyranoside", "names": [ "Phenyl beta-D-glucopyranoside", "Phenylglucoside", "phenyl-d-glucopyranoside" ] }, { "compound_id": "C11612", "inchi": null, "name": "Polymyxin B", "names": [ "Polymyxin B" ] }, { "compound_id": "C11613", "inchi": null, "name": "Polymyxin B sulfate", "names": [ "Polymixin B sulfate", "Polymyxin B sulfate" ] }, { "compound_id": "C11614", "inchi": null, "name": "Prenyl-Cys methyl esters", "names": [ "Prenyl-Cys methyl esters" ] }, { "compound_id": "C11615", "inchi": "InChI=1S/C45H54N8O10/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56)", "name": "Pristinamycin IA", "names": [ "4-[4-(Dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1", "Mikamycin B", "Pristinamycin IA", "Streptogramin B", "Vernamycin B alpha" ] }, { "compound_id": "C11616", "inchi": "InChI=1S/C44H52N8O10/c1-5-30-41(58)51-21-10-13-31(51)42(59)50(4)33(23-26-15-17-28(45-3)18-16-26)43(60)52-22-19-29(53)24-32(52)38(55)49-36(27-11-7-6-8-12-27)44(61)62-25(2)35(39(56)47-30)48-40(57)37-34(54)14-9-20-46-37/h6-9,11-12,14-18,20,25,30-33,35-36,45,54H,5,10,13,19,21-24H2,1-4H3,(H,47,56)(H,48,57)(H,49,55)", "name": "Pristinamycin IB", "names": [ "4-[N-Methyl-4-(methylamino)-L-phenylalanine]virginiamycin S1", "Pristinamycin IB", "Vernamycin B beta" ] }, { "compound_id": "C11617", "inchi": "InChI=1S/C44H52N8O10/c1-25-41(58)51-21-10-13-31(51)42(59)50(5)33(23-27-15-17-29(18-16-27)49(3)4)43(60)52-22-19-30(53)24-32(52)38(55)48-36(28-11-7-6-8-12-28)44(61)62-26(2)35(39(56)46-25)47-40(57)37-34(54)14-9-20-45-37/h6-9,11-12,14-18,20,25-26,31-33,35-36,54H,10,13,19,21-24H2,1-5H3,(H,46,56)(H,47,57)(H,48,55)", "name": "Pristinamycin IC", "names": [ "2-D-Alanine-4-[4-(dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1", "Pristinamycin IC", "Vernamycin B gamma" ] }, { "compound_id": "C11618", "inchi": "InChI=1S/C22H29N7O5.2ClH/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12;;/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32);2*1H/t14-,15+,16?,18+,22+;;/m0../s1", "name": "Puromycin dihydrochloride", "names": [ "Puromycin dihydrochloride" ] }, { "compound_id": "C11619", "inchi": "InChI=1S/C14H24N2O7.2ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H/t5-,7-,8+,9+,10+,11-,12-,13?,14+;;/m1../s1", "name": "Spectinomycin dihydrochloride", "names": [ "Spectinomycin dihydrochloride" ] }, { "compound_id": "C11620", "inchi": "InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3", "name": "Syringetin", "names": [ "3',5'-O-Dimethylmyricetin", "3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavone", "Syringetin" ] }, { "compound_id": "C11621", "inchi": "InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3", "name": "Tectochrysin", "names": [ "Techtochrysin", "Tectochrysin" ] }, { "compound_id": "C11622", "inchi": "InChI=1S/C24H24ClN2O/c1-26(2)18-9-11-20-22(13-18)28-23-14-19(27(3)4)10-12-21(23)24(20)17-7-5-16(15-25)6-8-17/h5-14H,15H2,1-4H3/q+1", "name": "Tetramethylrosamine", "names": [ "Tetramethylrosamine" ] }, { "compound_id": "C11623", "inchi": "InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3", "name": "Triton X-100", "names": [ "Triton X-100", "alpha-(4-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)" ] }, { "compound_id": "C11624", "inchi": "InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3", "name": "Tween 20", "names": [ "Tween 20" ] }, { "compound_id": "C11625", "inchi": null, "name": "Tween 80", "names": [ "Polysorbate 80", "Tween 80" ] }, { "compound_id": "C11626", "inchi": "InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1", "name": "Vinblastine sulfate", "names": [ "Vinblastine sulfate" ] }, { "compound_id": "C11627", "inchi": "InChI=1S/4O.V/q;;;;-3", "name": "ortho-Vanadate", "names": [ "ortho-Vanadate" ] }, { "compound_id": "C11628", "inchi": "InChI=1S/C7H9N3.2ClH/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,8H2,(H3,9,10);2*1H", "name": "p-Aminobenzamidine dihydrochloride", "names": [ "p-Aminobenzamidine dihydrochloride" ] }, { "compound_id": "C11629", "inchi": "InChI=1S/C25H37NO8S/c1-19(27)26-20(25(33)34)18-35-22(21(28)14-13-17-24(31)32)15-11-9-7-5-3-2-4-6-8-10-12-16-23(29)30/h3-7,9,11,15,20-22,28H,2,8,10,12-14,16-18H2,1H3,(H,26,27)(H,29,30)(H,31,32)(H,33,34)/b5-3-,6-4-,9-7+,15-11+/t20?,21-,22+/m0/s1", "name": "omega-Carboxy-N-acetyl-LTE4", "names": [ "(7E,9E,11Z,14Z)-(5S,6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraen-1,20-dioate", "omega-COOH-LTE4NAc", "omega-Carboxy-N-acetyl-LTE4" ] }, { "compound_id": "C11630", "inchi": "InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,26,35H,1-2,9-13H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1", "name": "15,16-Dihydrobiliverdin", "names": [ "15,16-Dihydrobiliverdin", "15,16-Dihydrobiliverdin IXalpha" ] }, { "compound_id": "C11631", "inchi": "InChI=1S/C10H10N4O6/c15-4-5(16)9(20-6(4)10(18)19)14-2-13-3-7(14)11-1-12-8(3)17/h1-2,4-6,9,15-16H,(H,18,19)(H,11,12,17)/t4-,5+,6-,9+/m0/s1", "name": "9-Riburonosylhypoxanthine", "names": [ "9-Riburonosylhypoxanthine" ] }, { "compound_id": "C11632", "inchi": "InChI=1S/C21H22N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,11,15,17-18,22H,8-10H2,1-2H3/b12-3-/t15?,17-,18-,21+/m0/s1", "name": "Polyneuridine aldehyde", "names": [ "Polyneuridine aldehyde" ] }, { "compound_id": "C11633", "inchi": "InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13?,15-,17-,18-/m0/s1", "name": "16-Epivellosimine", "names": [ "16-Epivellosimine" ] }, { "compound_id": "C11634", "inchi": "InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13?,15-,17+,18+/m1/s1", "name": "Vellosimine", "names": [ "Vellosimine" ] }, { "compound_id": "C11635", "inchi": "InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2-/t13?,15-,17+,18+/m1/s1", "name": "10-Deoxysarpagine", "names": [ "10-Deoxysarpagine", "Sarpagan-17-ol" ] }, { "compound_id": "C11636", "inchi": "InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1", "name": "7-Deoxyloganate", "names": [ "7-Deoxyloganate" ] }, { "compound_id": "C11637", "inchi": "InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,14-21,25-26H,4,7-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1", "name": "3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate", "names": [ "3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate" ] }, { "compound_id": "C11638", "inchi": "InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)", "name": "3-Amino-2-oxopropyl phosphate", "names": [ "1-Amino-3-(phosphohydroxy)propan-2-one", "3-Amino-2-oxopropyl phosphate" ] }, { "compound_id": "C11639", "inchi": "InChI=1S/C27H34O15/c1-12(28)35-9-17-7-8-18-19(25(33)34-6)10-37-26(21(17)18)42-27-24(40-16(5)32)23(39-15(4)31)22(38-14(3)30)20(41-27)11-36-13(2)29/h7,10,18,20-24,26-27H,8-9,11H2,1-6H3/t18-,20-,21-,22-,23+,24-,26+,27+/m1/s1", "name": "Geniposide pentaacetate", "names": [ "Geniposide pentaacetate", "Pentaacetyl geniposide" ] }, { "compound_id": "C11640", "inchi": "InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1", "name": "Patrinoside", "names": [ "Patrinoside" ] }, { "compound_id": "C11641", "inchi": "InChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38+,39-,40-,43-,44-,45+,46+/m1/s1", "name": "3',4'-Anhydrovinblastine", "names": [ "3',4'-Anhydrovinblastine" ] }, { "compound_id": "C11642", "inchi": "InChI=1S/C21H24N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-8,13,19,22,24H,9-12H2,1-2H3/t13-,19+,20+,21+/m1/s1", "name": "19-Hydroxytabersonine", "names": [ "19-Hydroxytabersonine" ] }, { "compound_id": "C11643", "inchi": "InChI=1S/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/t19-,20-,21-/m0/s1", "name": "16-Hydroxytabersonine", "names": [ "16-Hydroxytabersonine" ] }, { "compound_id": "C11644", "inchi": "InChI=1S/C17H26O12/c1-16(24)8(19)3-17(25)6(13(23)26-2)5-27-15(12(16)17)29-14-11(22)10(21)9(20)7(4-18)28-14/h5,7-12,14-15,18-22,24-25H,3-4H2,1-2H3/t7-,8+,9-,10+,11-,12-,14+,15+,16+,17+/m1/s1", "name": "Lamiide", "names": [ "Lamiide" ] }, { "compound_id": "C11645", "inchi": "InChI=1S/C18H28O11/c1-7-6-26-16(28-15-13(24)12(23)11(22)9(5-19)27-15)14-17(3,29-8(2)20)4-10(21)18(7,14)25/h6,9-16,19,21-25H,4-5H2,1-3H3/t9-,10-,11-,12+,13-,14-,15+,16+,17+,18-/m1/s1", "name": "Lamioside", "names": [ "Lamioside" ] }, { "compound_id": "C11646", "inchi": "InChI=1S/C25H34O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h9,11,16,18-22,24-25H,7-8,10H2,1-6H3/t11-,16+,18+,19+,20+,21-,22+,24-,25-/m0/s1", "name": "Deoxyloganin tetraacetate", "names": [ "Deoxyloganin tetraacetate" ] }, { "compound_id": "C11647", "inchi": "InChI=1S/C24H32O13/c1-10-6-7-15-16(22(29)30)8-32-23(18(10)15)37-24-21(35-14(5)28)20(34-13(4)27)19(33-12(3)26)17(36-24)9-31-11(2)25/h8,10,15,17-21,23-24H,6-7,9H2,1-5H3,(H,29,30)/t10-,15+,17+,18+,19+,20-,21+,23-,24-/m0/s1", "name": "Deoxyloganic acid tetraacetate", "names": [ "Deoxyloganic acid tetraacetate" ] }, { "compound_id": "C11648", "inchi": "InChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8-,10-,11-,12-,13+,14-,16+,17+/m1/s1", "name": "8-Epideoxyloganin", "names": [ "8-Epideoxyloganin" ] }, { "compound_id": "C11649", "inchi": "InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1", "name": "8-Epideoxyloganic acid", "names": [ "8-Epideoxyloganic acid" ] }, { "compound_id": "C11650", "inchi": "InChI=1S/C25H34O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h9,11,16,18-22,24-25H,7-8,10H2,1-6H3/t11-,16-,18-,19-,20-,21+,22-,24+,25+/m1/s1", "name": "8-Epideoxyloganin tetraacetate", "names": [ "8-Epideoxyloganin tetraacetate" ] }, { "compound_id": "C11651", "inchi": "InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-11H,3-4H2,1-2H3/t6-,8-,9-,10-/m1/s1", "name": "8-Epiiridodial", "names": [ "8-Epiiridodial" ] }, { "compound_id": "C11652", "inchi": "InChI=1S/C16H24O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-16,18-21H,2-3,5H2,1H3/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1", "name": "8-Epiiridotrial glucoside", "names": [ "8-Epiiridotrial glucoside", "Boschnaloside" ] }, { "compound_id": "C11653", "inchi": "InChI=1S/C16H24O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-16,18-21H,2-3,5H2,1H3/t7-,9+,10+,11+,12+,13-,14+,15-,16-/m0/s1", "name": "Iridotrial glucoside", "names": [ "Iridotrial glucoside" ] }, { "compound_id": "C11654", "inchi": "InChI=1S/C16H22O9/c17-3-7-1-2-9-8(4-18)6-23-15(11(7)9)25-16-14(22)13(21)12(20)10(5-19)24-16/h1,4,6,9-17,19-22H,2-3,5H2/t9-,10-,11-,12-,13+,14-,15+,16+/m1/s1", "name": "Tarennoside", "names": [ "Tarennoside" ] }, { "compound_id": "C11655", "inchi": "InChI=1S/C26H30O15/c1-10(27)33-7-15-6-17-20-16(24(32)39-17)8-35-25(19(15)20)41-26-23(38-14(5)31)22(37-13(4)30)21(36-12(3)29)18(40-26)9-34-11(2)28/h6,8,17-23,25-26H,7,9H2,1-5H3/t17-,18+,19+,20-,21+,22-,23+,25-,26-/m0/s1", "name": "Asperuloside tetraacetate", "names": [ "Asperuloside tetraacetate" ] }, { "compound_id": "C11656", "inchi": "InChI=1S/C16H26O7/c1-7-3-4-9-8(2)6-21-15(11(7)9)23-16-14(20)13(19)12(18)10(5-17)22-16/h6-7,9-20H,3-5H2,1-2H3/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1", "name": "8-Epiiridodial glucoside", "names": [ "8-Epiiridodial glucoside" ] }, { "compound_id": "C11657", "inchi": "InChI=1S/C24H34O11/c1-11-7-8-17-12(2)9-30-23(19(11)17)35-24-22(33-16(6)28)21(32-15(5)27)20(31-14(4)26)18(34-24)10-29-13(3)25/h9,11,17-24H,7-8,10H2,1-6H3/t11-,17+,18+,19+,20+,21-,22+,23-,24-/m0/s1", "name": "Iridodial glucoside tetraacetate", "names": [ "Iridodial glucoside tetraacetate" ] }, { "compound_id": "C11658", "inchi": "InChI=1S/C24H34O11/c1-11-7-8-17-12(2)9-30-23(19(11)17)35-24-22(33-16(6)28)21(32-15(5)27)20(31-14(4)26)18(34-24)10-29-13(3)25/h9,11,17-24H,7-8,10H2,1-6H3/t11-,17-,18-,19-,20-,21+,22-,23+,24+/m1/s1", "name": "8-Epiiridodial glucoside tetraacetate", "names": [ "8-Epiiridodial glucoside tetraacetate" ] }, { "compound_id": "C11659", "inchi": "InChI=1S/C17H26O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-7,9-14,16-23H,2-4H2,1H3/t6-,7+,9+,10-,11+,12-,13+,14-,16+,17+/m1/s1", "name": "10-Hydroxyloganin", "names": [ "10-Hydroxyloganin" ] }, { "compound_id": "C11660", "inchi": "InChI=1S/C17H26O12/c1-25-15(24)7-5-26-16(11-6(7)2-10(20)27-8(11)3-18)29-17-14(23)13(22)12(21)9(4-19)28-17/h5-6,8-14,16-23H,2-4H2,1H3/t6-,8+,9-,10?,11+,12-,13+,14-,16+,17+/m1/s1", "name": "10-Hydroxymorroniside", "names": [ "10-Hydroxymorroniside" ] }, { "compound_id": "C11661", "inchi": "InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8+,9+,10+,11+,12-,13+,15-,16-/m0/s1", "name": "7-Epiloganic acid", "names": [ "7-Epiloganic acid" ] }, { "compound_id": "C11662", "inchi": "InChI=1S/C25H34O14/c1-10-17(30)7-15-16(23(31)32-6)8-34-24(19(10)15)39-25-22(37-14(5)29)21(36-13(4)28)20(35-12(3)27)18(38-25)9-33-11(2)26/h8,10,15,17-22,24-25,30H,7,9H2,1-6H3/t10-,15+,17+,18+,19+,20+,21-,22+,24-,25-/m0/s1", "name": "7-Epiloganin tetraacetate", "names": [ "7-Epiloganin tetraacetate" ] }, { "compound_id": "C11663", "inchi": "InChI=1S/C27H36O15/c1-11-19(37-13(3)29)8-17-18(25(33)34-7)9-36-26(21(11)17)42-27-24(40-16(6)32)23(39-15(5)31)22(38-14(4)30)20(41-27)10-35-12(2)28/h9,11,17,19-24,26-27H,8,10H2,1-7H3/t11-,17+,19-,20+,21+,22+,23-,24+,26-,27-/m0/s1", "name": "Loganin pentaacetate", "names": [ "Loganin pentaacetate" ] }, { "compound_id": "C11664", "inchi": "InChI=1S/C25H32O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h7,9,16,18-22,24-25H,8,10H2,1-6H3/t16-,18-,19-,20-,21+,22-,24+,25+/m1/s1", "name": "10-Deoxygeniposide tetraacetate", "names": [ "10-Deoxygeniposide tetraacetate" ] }, { "compound_id": "C11665", "inchi": "InChI=1S/C25H32O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h9,16,18-22,24-25H,1,7-8,10H2,2-6H3/t16-,18-,19-,20-,21+,22-,24+,25+/m1/s1", "name": "7-Deoxygardoside metyl ester tetraacetate", "names": [ "7-Deoxygardoside metyl ester tetraacetate" ] }, { "compound_id": "C11666", "inchi": "InChI=1S/C26H36O13/c1-12-7-8-19-18(9-32-13(2)27)10-34-25(21(12)19)39-26-24(37-17(6)31)23(36-16(5)30)22(35-15(4)29)20(38-26)11-33-14(3)28/h10,12,19-26H,7-9,11H2,1-6H3/t12-,19+,20+,21+,22+,23-,24+,25-,26-/m0/s1", "name": "11-Hydroxyiridodial glucoside pentaacetate", "names": [ "11-Hydroxyiridodial glucoside pentaacetate" ] }, { "compound_id": "C11667", "inchi": "InChI=1S/C26H36O13/c1-12-7-8-19-18(9-32-13(2)27)10-34-25(21(12)19)39-26-24(37-17(6)31)23(36-16(5)30)22(35-15(4)29)20(38-26)11-33-14(3)28/h10,12,19-26H,7-9,11H2,1-6H3/t12-,19-,20-,21-,22-,23+,24-,25+,26+/m1/s1", "name": "8-epi-11-Hydroxyiridodial glucoside pentaacetate", "names": [ "8-epi-11-Hydroxyiridodial glucoside pentaacetate" ] }, { "compound_id": "C11668", "inchi": "InChI=1S/C25H32O14/c1-10-17(30)7-15-16(23(31)32-6)8-34-24(19(10)15)39-25-22(37-14(5)29)21(36-13(4)28)20(35-12(3)27)18(38-25)9-33-11(2)26/h8,10,15,18-22,24-25H,7,9H2,1-6H3/t10-,15+,18+,19+,20+,21-,22+,24-,25-/m0/s1", "name": "7-Dehydrologanin tetraacetate", "names": [ "7-Dehydrologanin tetraacetate" ] }, { "compound_id": "C11669", "inchi": "InChI=1S/C25H32O14/c1-9-7-32-24(17-16(9)19(34-12(4)28)22-20(17)38-22)39-25-23(36-14(6)30)21(35-13(5)29)18(33-11(3)27)15(37-25)8-31-10(2)26/h7,15-25H,8H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22+,23-,24+,25+/m1/s1", "name": "Deutzioside pentaacetate", "names": [ "Deutzioside pentaacetate" ] }, { "compound_id": "C11670", "inchi": "InChI=1S/C16H26O7/c1-7-3-4-9-8(2)6-21-15(11(7)9)23-16-14(20)13(19)12(18)10(5-17)22-16/h6-7,9-20H,3-5H2,1-2H3/t7-,9+,10+,11+,12+,13-,14+,15-,16-/m0/s1", "name": "Iridodial glucoside", "names": [ "Iridodial glucoside" ] }, { "compound_id": "C11671", "inchi": "InChI=1S/C15H22O9/c1-4-3-21-14(7-6(4)9(18)13-12(7)23-13)24-15-11(20)10(19)8(17)5(2-16)22-15/h3,5-20H,2H2,1H3/t5-,6-,7+,8-,9+,10+,11-,12-,13+,14+,15+/m1/s1", "name": "Deutzioside", "names": [ "Deutzioside" ] }, { "compound_id": "C11672", "inchi": "InChI=1S/C16H22O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h2,5,7,9-13,15-20H,3-4H2,1H3,(H,21,22)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1", "name": "10-Deoxygeniposidic acid", "names": [ "10-Deoxygeniposidic acid" ] }, { "compound_id": "C11673", "inchi": "InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1", "name": "Geniposidic acid", "names": [ "Geniposidic acid" ] }, { "compound_id": "C11674", "inchi": "InChI=1S/C17H24O12/c1-24-14(22)6-4-25-16(9-5(6)2-8-27-13(9)15(23)28-8)29-17-12(21)11(20)10(19)7(3-18)26-17/h4-5,7-13,15-21,23H,2-3H2,1H3/t5-,7-,8+,9+,10-,11+,12-,13+,15-,16+,17+/m1/s1", "name": "Secogalioside", "names": [ "Secogalioside" ] }, { "compound_id": "C11675", "inchi": "InChI=1S/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3/t20-,21-,22-/m0/s1", "name": "16-Methoxytabersonine", "names": [ "16-Methoxytabersonine" ] }, { "compound_id": "C11676", "inchi": "InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15?,17?,19-,20+,21-/m0/s1", "name": "Lochnericine", "names": [ "Lochnericine" ] }, { "compound_id": "C11677", "inchi": "InChI=1S/C21H24N2O4/c1-11(24)21-9-12(18(25)26-2)16-20(13-5-3-4-6-14(13)22-16)7-8-23(19(20)21)10-15-17(21)27-15/h3-6,11,15,17,19,22,24H,7-10H2,1-2H3/t11-,15?,17-,19-,20+,21+/m1/s1", "name": "Horhammericine", "names": [ "Horhammericine" ] }, { "compound_id": "C11678", "inchi": "InChI=1S/C21H24N2O4/c1-3-13(11-24)16(17(12-25)21(26)27-2)10-19-20-15(8-9-22-19)14-6-4-5-7-18(14)23-20/h3-7,11-13,16,19,22-23,25H,1,8-10H2,2H3/b17-12-/t13-,16-,19-/m0/s1", "name": "Dialdehyde", "names": [ "Dialdehyde" ] }, { "compound_id": "C11679", "inchi": "InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-13,16,19,22H,1,8-10H2,2H3/p+1/t13-,16-,19-/m0/s1", "name": "4,21-Dehydrocorynantheine aldehyde", "names": [ "4,21-Dehydrocorynantheine aldehyde" ] }, { "compound_id": "C11680", "inchi": "InChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15-,19-/m0/s1", "name": "Cathenamine", "names": [ "Cathenamine" ] }, { "compound_id": "C11681", "inchi": "InChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15+,19+/m1/s1", "name": "19-epi-Cathenamine", "names": [ "19-epi-Cathenamine" ] }, { "compound_id": "C11682", "inchi": "InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19-/m0/s1", "name": "Tetrahydroalstonine", "names": [ "Tetrahydroalstonine" ] }, { "compound_id": "C11683", "inchi": "InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15+,16-,19+/m1/s1", "name": "19-epi-Ajmalicine", "names": [ "19-epi-Ajmalicine" ] }, { "compound_id": "C11684", "inchi": "InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1", "name": "MET-enkephalin", "names": [ "MET-enkephalin", "Methionine enkephalin" ] }, { "compound_id": "C11685", "inchi": "InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3", "name": "Clorgyline", "names": [ "Clorgyline" ] }, { "compound_id": "C11686", "inchi": "InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)", "name": "Uracil mustard", "names": [ "Uracil mustard" ] }, { "compound_id": "C11687", "inchi": "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2", "name": "Aziridine", "names": [ "Aziridine" ] }, { "compound_id": "C11688", "inchi": "InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30?,31-/m0/s1", "name": "Asperlicin", "names": [ "Asperlicin" ] }, { "compound_id": "C11689", "inchi": "InChI=1S/C23H35NOS/c1-5-11-21(25-4)15-14-18(2)12-9-7-6-8-10-13-20-17-26-23(24-20)22-16-19(22)3/h5,7,9-10,12-13,19-22H,1,6,8,11,14-17H2,2-4H3/b9-7+,13-10+,18-12+/t19-,20+,21-,22+/m0/s1", "name": "Curacin A", "names": [ "Curacin A" ] }, { "compound_id": "C11690", "inchi": "InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10-/m0/s1", "name": "Epibatidine", "names": [ "Epibatidine" ] }, { "compound_id": "C11691", "inchi": "InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-/t17-,21-/m0/s1", "name": "Stemmadenine", "names": [ "Stemmadenine" ] }, { "compound_id": "C11692", "inchi": "InChI=1S/C11H16N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-19H,1H2,(H3,12,13,14)/q-1/p+1/t2?,3?,4?,5-,6?,7-,9?,10?,11?/m0/s1", "name": "Tetrodotoxin", "names": [ "TTX", "Tetrodotoxin" ] }, { "compound_id": "C11694", "inchi": "InChI=1S/C21H14FN3O2/c22-15-2-4-16(5-3-15)25-12-18(21(23)27)20(26)17-6-1-14(11-19(17)25)13-7-9-24-10-8-13/h1-12H,(H2,23,27)", "name": "Quinoline-3-carboxamides", "names": [ "Quinoline-3-carboxamides" ] }, { "compound_id": "C11695", "inchi": "InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-", "name": "Anandamide", "names": [ "AEA", "Anandamide", "Arachidonylethanolamide", "N-(5Z,8Z,11Z,14Z-icosatetraenoyl)-ethanolamide" ] }, { "compound_id": "C11696", "inchi": "InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)/t13-/m0/s1", "name": "Practolol", "names": [ "Practolol" ] }, { "compound_id": "C11697", "inchi": "InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1", "name": "Levcromakalim", "names": [ "(-)-Cromakalim", "Levcromakalim" ] }, { "compound_id": "C11698", "inchi": "InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3", "name": "UH-301", "names": [ "UH-301" ] }, { "compound_id": "C11699", "inchi": "InChI=1S/C27H26FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1", "name": "HR 780", "names": [ "Glenvastatin", "HR 780" ] }, { "compound_id": "C11700", "inchi": "InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1", "name": "10-Deacetylbaccatin III", "names": [ "10-Deacetylbaccatin III" ] }, { "compound_id": "C11701", "inchi": "InChI=1S/C13H12Cl2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2", "name": "UK-47265", "names": [ "UK-47265" ] }, { "compound_id": "C11702", "inchi": "InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)", "name": "Tienilic acid", "names": [ "Ticrynafen", "Tienilic acid" ] }, { "compound_id": "C11703", "inchi": "InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1", "name": "L-Isoprenaline", "names": [ "L-Isoprenaline", "Levisoprenaline" ] }, { "compound_id": "C11704", "inchi": "InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3", "name": "DuP 697", "names": [ "DuP 697" ] }, { "compound_id": "C11705", "inchi": "InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3", "name": "SC-58125", "names": [ "SC-58125" ] }, { "compound_id": "C11706", "inchi": "InChI=1S/C18H17FO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3", "name": "SC-57666", "names": [ "SC-57666" ] }, { "compound_id": "C11707", "inchi": "InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3", "name": "Pronethalol", "names": [ "Pronetalol", "Pronethalol" ] }, { "compound_id": "C11708", "inchi": "InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)", "name": "Sultopride", "names": [ "Sultopride" ] }, { "compound_id": "C11709", "inchi": "InChI=1S/C19H26N2O3S/c1-4-21-12-6-7-18(21)17-10-9-16(20-17)15-13-14(25(22,23)5-2)8-11-19(15)24-3/h8-11,13,18,20H,4-7,12H2,1-3H3", "name": "DU 122290", "names": [ "DU 122290" ] }, { "compound_id": "C11710", "inchi": "InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1", "name": "Devazepide", "names": [ "Devazepide", "MK-329" ] }, { "compound_id": "C11711", "inchi": "InChI=1S/C9H13NO5/c11-7(3-4-8(12)13)10-5-1-2-6(10)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15)/t6-/m0/s1", "name": "Succinylproline", "names": [ "Succinyl-L-proline", "Succinylproline" ] }, { "compound_id": "C11712", "inchi": "InChI=1S/C53H76N14O12/c1-3-29(2)43(51(77)66-25-9-16-39(66)50(76)67-26-10-17-40(67)52(78)79)63-45(71)34(18-20-41(54)68)60-46(72)37-14-7-23-64(37)48(74)35(13-6-22-57-53(55)56)61-47(73)38-15-8-24-65(38)49(75)36(62-44(70)33-19-21-42(69)59-33)27-30-28-58-32-12-5-4-11-31(30)32/h4-5,11-12,28-29,33-40,43,58H,3,6-10,13-27H2,1-2H3,(H2,54,68)(H,59,69)(H,60,72)(H,61,73)(H,62,70)(H,63,71)(H,78,79)(H4,55,56,57)/t29-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1", "name": "Teprotide", "names": [ "Teprotide" ] }, { "compound_id": "C11713", "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H", "name": "2-Naphthol", "names": [ "2-Naphthol", "beta-Naphthol" ] }, { "compound_id": "C11714", "inchi": "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H", "name": "1-Naphthol", "names": [ "1-Naphthol", "alpha-Naphthol" ] }, { "compound_id": "C11715", "inchi": "InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3", "name": "Lucanthone", "names": [ "Lucanthone" ] }, { "compound_id": "C11716", "inchi": "InChI=1S/C13H21ClN2/c1-4-16(5-2)9-8-15-12-7-6-11(3)13(14)10-12/h6-7,10,15H,4-5,8-9H2,1-3H3", "name": "Mirasan", "names": [ "Mirasan" ] }, { "compound_id": "C11717", "inchi": "InChI=1S/C21H36N4O5S/c1-12(2)11-13(18(28)24-17(20(30)22-6)21(3,4)5)23-19(29)14(31)9-10-25-15(26)7-8-16(25)27/h12-14,17,31H,7-11H2,1-6H3,(H,22,30)(H,23,29)(H,24,28)/t13-,14?,17?/m0/s1", "name": "D1927", "names": [ "D1927" ] }, { "compound_id": "C11718", "inchi": "InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3", "name": "L791456", "names": [ "Etoricoxib", "L791456" ] }, { "compound_id": "C11719", "inchi": "InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3", "name": "L787257", "names": [ "L787257" ] }, { "compound_id": "C11720", "inchi": "InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1", "name": "Enalaprilate", "names": [ "Enalaprilat", "Enalaprilate" ] }, { "compound_id": "C11721", "inchi": "InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15?,16+", "name": "Candoxatrilat", "names": [ "Candoxatrilat" ] }, { "compound_id": "C11723", "inchi": "InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)", "name": "Hexobarbitone", "names": [ "Hexobarbital", "Hexobarbitone" ] }, { "compound_id": "C11724", "inchi": "InChI=1S/C23H16O6.2C11H14ClN5/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6H,1-2H3,(H4,13,14,15,16)", "name": "Cycloguanil pamoate", "names": [ "Cycloguanil pamoate" ] }, { "compound_id": "C11725", "inchi": "InChI=1S/C22H27ClN4O3/c1-27(20(28)14-26-22(30)18(25)9-5-6-12-24)19-11-10-16(23)13-17(19)21(29)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12,14,24-25H2,1H3,(H,26,30)/t18-/m0/s1", "name": "Avizafone", "names": [ "Avizafone", "LDZ" ] }, { "compound_id": "C11726", "inchi": "InChI=1S/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)/t23-,25-/m1/s1", "name": "Chloramphenicol palmitate", "names": [ "Chloramphenicol palmitate" ] }, { "compound_id": "C11727", "inchi": "InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1", "name": "Chloramphenicol succinate", "names": [ "Chloramphenicol succinate" ] }, { "compound_id": "C11728", "inchi": "InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13?,14-,15+,16+,18+/m0/s1", "name": "Clindamycin phosphate", "names": [ "Clindamycin phosphate" ] }, { "compound_id": "C11729", "inchi": "InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1", "name": "Hetacillin", "names": [ "Hetacillin" ] }, { "compound_id": "C11730", "inchi": "InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,46-47,49-52H,18,20H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-", "name": "Temoporfin", "names": [ "Foscan", "Temoporfin" ] }, { "compound_id": "C11731", "inchi": "InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)", "name": "m-Chlorobenzamide", "names": [ "3-Chlorobenzamide", "m-Chlorobenzamide" ] }, { "compound_id": "C11732", "inchi": "InChI=1S/C10H15O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3", "name": "Diethyl phenyl phosphate", "names": [ "Diethyl phenyl phosphate", "Phosphoric acid, diethyl phenyl ester" ] }, { "compound_id": "C11733", "inchi": "InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2", "name": "Decamethonium", "names": [ "Decamethonium" ] }, { "compound_id": "C11734", "inchi": "InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)", "name": "Altanserin", "names": [ "Altanserin" ] }, { "compound_id": "C11735", "inchi": "InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)", "name": "N-Ethylglycine", "names": [ "N-Ethylglycine" ] }, { "compound_id": "C11736", "inchi": "InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1", "name": "5-Fluorodeoxyuridine", "names": [ "5-Fluorodeoxyuridine", "Floxuridine" ] }, { "compound_id": "C11737", "inchi": "InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1", "name": "CB3717", "names": [ "CB3717" ] }, { "compound_id": "C11738", "inchi": "InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2", "name": "m-Chlorophenylpiperazine", "names": [ "1-(3-Chlorophenyl)piperazine", "m-Chlorophenylpiperazine" ] }, { "compound_id": "C11739", "inchi": "InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)", "name": "SB 200646", "names": [ "N-(1-Methyl-5-indolyl)-N'-(3-pyridyl)urea", "SB 200646" ] }, { "compound_id": "C11740", "inchi": "InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)", "name": "SB 206553", "names": [ "SB 206553" ] }, { "compound_id": "C11741", "inchi": "InChI=1S/C16H14F3N3OS/c1-24-14-7-10-4-6-22(13(10)8-12(14)16(17,18)19)15(23)21-11-3-2-5-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,21,23)", "name": "SB 221284", "names": [ "SB 221284" ] }, { "compound_id": "C11742", "inchi": "InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)", "name": "SB 228357", "names": [ "SB 228357" ] }, { "compound_id": "C11743", "inchi": "InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)", "name": "SB 243213", "names": [ "SB 243213" ] }, { "compound_id": "C11744", "inchi": "InChI=1S/C12H12As2N2O2.2ClH/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8;;/h1-6,17-18H,15-16H2;2*1H", "name": "Salvarsan", "names": [ "Arsphenamine", "Salvarsan" ] }, { "compound_id": "C11745", "inchi": "InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)", "name": "Succinyl sulfathiazole", "names": [ "Succinyl sulfathiazole" ] }, { "compound_id": "C11746", "inchi": null, "name": "Penillic acid", "names": [ "Penillic acid" ] }, { "compound_id": "C11747", "inchi": "InChI=1/C9H12N2O4S/c1-9(2,16)6(7(12)13)10-3-5-8(14)15-4-11-5/h3-4,6,10,16H,1-2H3,(H,12,13)/b5-3+/t6-/m1/s1/f/h12H", "name": "Penicillenic acid", "names": [ "Penicillenic acid" ] }, { "compound_id": "C11748", "inchi": "InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1", "name": "Flucloxacillin", "names": [ "Floxacillin", "Flucloxacillin" ] }, { "compound_id": "C11749", "inchi": "InChI=1S/C16H19N3O4S/c1-16(2)12(15(22)23)19-13(21)11(14(19)24-16)18-10(20)7-8-3-5-9(17)6-4-8/h3-6,11-12,14H,7,17H2,1-2H3,(H,18,20)(H,22,23)/t11-,12+,14-/m1/s1", "name": "Penicillin T", "names": [ "Penicillin T" ] }, { "compound_id": "C11750", "inchi": "InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1", "name": "Pivampicillin", "names": [ "Pivampicillin" ] }, { "compound_id": "C11751", "inchi": "InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/t15-,16-,17+,20-,23?/m1/s1", "name": "Talampicillin", "names": [ "Talampicillin" ] }, { "compound_id": "C11752", "inchi": "InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1", "name": "Carfecillin", "names": [ "Carbenicillin phenyl", "Carfecillin" ] }, { "compound_id": "C11754", "inchi": "InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1", "name": "Cephaloridine", "names": [ "Cefaloridine", "Cephaloridine" ] }, { "compound_id": "C11755", "inchi": "InChI=1S/C13H16N2O8S2/c1-6(23-25(20,21)22)10-8-5-9(24-4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,20,21,22)/b4-3+/t6-,8+,10-/m0/s1", "name": "Epithienamycin E", "names": [ "Epithienamycin E", "MM13902" ] }, { "compound_id": "C11756", "inchi": null, "name": "6-Methylpenicillin", "names": [ "6-Methylpenicillin" ] }, { "compound_id": "C11757", "inchi": null, "name": "Acyl-D-Ala-D-Ala", "names": [ "Acyl-D-Ala-D-Ala" ] }, { "compound_id": "C11758", "inchi": "InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1", "name": "Mupirocin", "names": [ "Mupirocin" ] }, { "compound_id": "C11760", "inchi": "InChI=1S/C18H29NO3/c1-5-19(6-2)13-18(3,4)14-22-17(21)16(12-20)15-10-8-7-9-11-15/h7-11,16,20H,5-6,12-14H2,1-4H3", "name": "Amprotropine", "names": [ "Amprotropine" ] }, { "compound_id": "C11761", "inchi": "InChI=1S/C21H36NO.BrH/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1", "name": "Tridihexethyl bromide", "names": [ "Tridihexethyl bromide" ] }, { "compound_id": "C11762", "inchi": "InChI=1S/C23H30NO3.ClH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1", "name": "Propantheline chloride", "names": [ "Propantheline chloride" ] }, { "compound_id": "C11763", "inchi": "InChI=1S/C12H18N2O2/c1-9(14(3)4)10-6-5-7-11(8-10)16-12(15)13-2/h5-9H,1-4H3,(H,13,15)", "name": "Miotine", "names": [ "Miotine" ] }, { "compound_id": "C11764", "inchi": "InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3", "name": "Sarin", "names": [ "Sarin" ] }, { "compound_id": "C11765", "inchi": "InChI=1S/C7H10N2O/c1-9-5-3-2-4-7(9)6-8-10/h3-6,10H,2H2,1H3/b8-6+", "name": "ProPAM", "names": [ "ProPAM" ] }, { "compound_id": "C11766", "inchi": "InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1", "name": "Rivastigmine", "names": [ "Rivastigmine" ] }, { "compound_id": "C11767", "inchi": "InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3", "name": "Xanomeline", "names": [ "Xanomeline" ] }, { "compound_id": "C11768", "inchi": "InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1", "name": "Levonordefrin", "names": [ "Levonordefrin", "alpha-Methylnoradrenaline" ] }, { "compound_id": "C11769", "inchi": "InChI=1S/C12H20N2O4S/c1-8(2)13-7-12(16)9-4-5-11(15)10(6-9)14-19(3,17)18/h4-6,8,12-16H,7H2,1-3H3/t12-/m0/s1", "name": "R-Soterenol", "names": [ "R-Soterenol" ] }, { "compound_id": "C11770", "inchi": "InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1", "name": "R-Salbutamol", "names": [ "Levalbuterol", "R-Salbutamol" ] }, { "compound_id": "C11771", "inchi": "InChI=1S/C19H25NO4/c1-13(9-14-3-6-17(24-2)7-4-14)20-11-19(23)15-5-8-18(22)16(10-15)12-21/h3-8,10,13,19-23H,9,11-12H2,1-2H3/t13-,19+/m1/s1", "name": "Salmefamol", "names": [ "Salmefamol" ] }, { "compound_id": "C11772", "inchi": "InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3/t11-/m0/s1", "name": "DCI", "names": [ "DCI", "Dichloroisoproterenol" ] }, { "compound_id": "C11773", "inchi": "InChI=1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26)", "name": "Epanolol", "names": [ "Epanolol" ] }, { "compound_id": "C11774", "inchi": "InChI=1S/C17H23N3O4/c1-12-5-3-4-6-15(12)24-11-14(21)9-18-7-8-20-10-13(2)16(22)19-17(20)23/h3-6,10,14,18,21H,7-9,11H2,1-2H3,(H,19,22,23)", "name": "Primidolol", "names": [ "Primidolol" ] }, { "compound_id": "C11775", "inchi": "InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)", "name": "Xamoterol", "names": [ "Xamoterol" ] }, { "compound_id": "C11776", "inchi": "InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3", "name": "alpha-Methyl-m-tyramine", "names": [ "Gepefrine", "alpha-Methyl-m-tyramine" ] }, { "compound_id": "C11777", "inchi": "InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)", "name": "Iproniazid", "names": [ "Iproniazid" ] }, { "compound_id": "C11778", "inchi": "InChI=1S/C19H21NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3-6,12-14,18,22H,7-9H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1", "name": "3-Acetylmorphine", "names": [ "3-Acetylmorphine", "O(3)-Monoacetylmorphine" ] }, { "compound_id": "C11779", "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3/t11-,12+,14-,17-,18-/m0/s1", "name": "Heterocodeine", "names": [ "Heterocodeine" ] }, { "compound_id": "C11780", "inchi": "InChI=1S/C19H23NO3/c1-3-22-15-7-5-12-13-10-11-4-6-14(21)17-16(11)19(12,18(15)23-17)8-9-20(13)2/h4-7,12-13,15,18,21H,3,8-10H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1", "name": "6-Ethylmorphine", "names": [ "6-Ethylmorphine" ] }, { "compound_id": "C11781", "inchi": "InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1", "name": "6-Acetylmorphine", "names": [ "6-Acetylmorphine", "6-O-Monoacetylmorphine" ] }, { "compound_id": "C11782", "inchi": "InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1", "name": "Dihydromorphine", "names": [ "Dihydromorphine" ] }, { "compound_id": "C11783", "inchi": "InChI=1S/C21H26N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-4,6-7,13,19,22,24H,5,8-12H2,1-2H3/t13-,19+,20+,21+/m1/s1", "name": "Minovincinine", "names": [ "Minovincinine" ] }, { "compound_id": "C11784", "inchi": "InChI=1S/C23H28N2O4/c1-14(29-15(2)26)22-9-6-11-25-12-10-23(21(22)25)17-7-4-5-8-18(17)24-19(23)16(13-22)20(27)28-3/h4-5,7-8,14,21,24H,6,9-13H2,1-3H3/t14-,21+,22+,23+/m1/s1", "name": "Echitovenine", "names": [ "Echitovenine" ] }, { "compound_id": "C11785", "inchi": "InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1", "name": "Normorphine", "names": [ "Normorphine" ] }, { "compound_id": "C11786", "inchi": "InChI=1S/C17H19NO4/c1-18(21)7-6-17-10-3-5-13(20)16(17)22-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-,18?/m0/s1", "name": "Morphine N-oxide", "names": [ "Morphine N-oxide" ] }, { "compound_id": "C11787", "inchi": "InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1", "name": "Nalorphine", "names": [ "Nalorphine" ] }, { "compound_id": "C11788", "inchi": "InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3/t15-,16+,17-/m0/s1", "name": "N-Methyl morphinan", "names": [ "17-Methylmorphinan", "N-Methyl morphinan" ] }, { "compound_id": "C11789", "inchi": "InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14+,15+/m0/s1", "name": "Metazocine", "names": [ "Metazocine" ] }, { "compound_id": "C11790", "inchi": "InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m0/s1", "name": "Phenazocine", "names": [ "Phenazocine" ] }, { "compound_id": "C11791", "inchi": "InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20+/m1/s1", "name": "Bremazocine", "names": [ "Bremazocine" ] }, { "compound_id": "C11792", "inchi": "InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3", "name": "Ketobemidone", "names": [ "Ketobemidone" ] }, { "compound_id": "C11793", "inchi": "InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22+,23-,24+,25-/m1/s1", "name": "Etorphine", "names": [ "Etorphine" ] }, { "compound_id": "C11794", "inchi": "InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1", "name": "Diprenorphine", "names": [ "Diprenorphine" ] }, { "compound_id": "C11795", "inchi": "InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19+/m0/s1", "name": "Ethylketocyclazocine", "names": [ "Ethylketocyclazocine" ] }, { "compound_id": "C11796", "inchi": "InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3", "name": "U 50488", "names": [ "U 50488" ] }, { "compound_id": "C11797", "inchi": "InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)", "name": "Tifluadom", "names": [ "Tifluadom" ] }, { "compound_id": "C11798", "inchi": "InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3", "name": "Mepyramine", "names": [ "Mepyramine", "Pyrilamine" ] }, { "compound_id": "C11799", "inchi": "InChI=1S/C8H14N4S/c1-9-8(13)11-4-2-3-7-5-10-6-12-7/h5-6H,2-4H2,1H3,(H,10,12)(H2,9,11,13)", "name": "SK&F 91581", "names": [ "SK&F 91581" ] }, { "compound_id": "C11800", "inchi": "InChI=1S/C8H14N4S2/c1-9-8(13)11-2-3-14-5-7-4-10-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,12)(H2,9,11,13)", "name": "Thiaburimamide", "names": [ "Thiaburimamide" ] }, { "compound_id": "C11801", "inchi": "InChI=1S/C10H18N4S/c1-8-9(14-7-13-8)5-3-4-6-12-10(15)11-2/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)", "name": "4-Methylburimamide", "names": [ "4-Methylburimamide" ] }, { "compound_id": "C11802", "inchi": "InChI=1S/C8H14N4OS/c1-9-8(14)11-2-3-13-5-7-4-10-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,12)(H2,9,11,14)", "name": "Oxaburimamide", "names": [ "Oxaburimamide" ] }, { "compound_id": "C11803", "inchi": "InChI=1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)", "name": "Oxmetidine", "names": [ "Oxmetidine" ] }, { "compound_id": "C11804", "inchi": "InChI=1S/C18H28N6O/c1-23-18(21-17(19)22-23)20-9-6-12-25-16-8-5-7-15(13-16)14-24-10-3-2-4-11-24/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H3,19,20,21,22)", "name": "Lamtidine", "names": [ "Lamtidine" ] }, { "compound_id": "C11805", "inchi": "InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)", "name": "Loxtidine", "names": [ "Lavoltidine", "Loxtidine" ] }, { "compound_id": "C11806", "inchi": "InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)", "name": "Pantoprazole", "names": [ "Pantoprazole" ] }, { "compound_id": "C11807", "inchi": "InChI=1S/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13?,16-,17-,18-,20+,21+/m0/s1", "name": "Vinorine", "names": [ "Vinorine" ] }, { "compound_id": "C11808", "inchi": "InChI=1S/C21H24N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-20,22,25H,8-9H2,1-2H3/b11-3+/t12?,15-,16-,17-,18-,19+,20+,21+/m0/s1", "name": "1,2-Dihydrovomilenine", "names": [ "1,2-Dihydrovomilenine", "2-beta-(R)-1,2-Dihydrovomilenine" ] }, { "compound_id": "C11809", "inchi": "InChI=1S/C21H26N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h4-7,11-12,15-20,22,25H,3,8-9H2,1-2H3/t11?,12?,15-,16-,17-,18-,19+,20+,21+/m0/s1", "name": "17-O-Acetylnorajmaline", "names": [ "17-O-Acetylnorajmaline" ] }, { "compound_id": "C11810", "inchi": "InChI=1/C19H24N2O2/c1-2-9-10-7-13-16-19(11-5-3-4-6-12(11)20-16)8-14(15(10)17(19)22)21(13)18(9)23/h3-6,9-10,13-18,20,22-23H,2,7-8H2,1H3/t9-,10-,13-,14-,15?,16-,17+,18+,19+/m0/s1", "name": "Norajmaline", "names": [ "Norajmaline" ] }, { "compound_id": "C11811", "inchi": "InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+", "name": "1-Hydroxy-2-methyl-2-butenyl 4-diphosphate", "names": [ "(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate", "(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate", "1-Hydroxy-2-methyl-2-butenyl 4-diphosphate" ] }, { "compound_id": "C11812", "inchi": "InChI=1S/C22H26N2O4/c1-4-21-10-13(19(25)27-3)17-22(14-6-5-12(26-2)9-15(14)23-17)7-8-24(20(21)22)11-16-18(21)28-16/h5-6,9,16,18,20,23H,4,7-8,10-11H2,1-3H3/t16?,18?,20-,21+,22-/m0/s1", "name": "Lochnerinine", "names": [ "Lochnerinine" ] }, { "compound_id": "C11813", "inchi": "InChI=1S/C24H29NO10/c1-2-11-13-6-15-12-7-17(28)16(27)5-10(12)3-4-25(15)22(32)14(13)9-33-23(11)35-24-21(31)20(30)19(29)18(8-26)34-24/h2,5,7,9,11,13,15,18-21,23-24,26-31H,1,3-4,6,8H2/t11-,13+,15-,18-,19-,20+,21-,23+,24+/m1/s1", "name": "Demethylalangiside", "names": [ "Demethylalangiside" ] }, { "compound_id": "C11814", "inchi": "InChI=1S/C24H29NO10/c1-2-11-13-6-15-12-7-17(28)16(27)5-10(12)3-4-25(15)22(32)14(13)9-33-23(11)35-24-21(31)20(30)19(29)18(8-26)34-24/h2,5,7,9,11,13,15,18-21,23-24,26-31H,1,3-4,6,8H2/t11-,13+,15+,18-,19-,20+,21-,23+,24+/m1/s1", "name": "Demethylisoalangiside", "names": [ "Demethylisoalangiside" ] }, { "compound_id": "C11815", "inchi": "InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1", "name": "Isoalangiside", "names": [ "Isoalangiside" ] }, { "compound_id": "C11816", "inchi": "InChI=1S/C19H27NO3/c1-4-13-12-20-7-5-15-10-18(22-2)19(23-3)11-16(15)17(20)9-14(13)6-8-21/h8,10-11,13-14,17H,4-7,9,12H2,1-3H3/t13-,14-,17-/m0/s1", "name": "Protoemetine", "names": [ "Protoemetine" ] }, { "compound_id": "C11817", "inchi": "InChI=1S/C29H37N3O2/c1-4-18-17-32-12-10-19-15-27(33-2)28(34-3)16-23(19)26(32)14-20(18)13-25-29-22(9-11-30-25)21-7-5-6-8-24(21)31-29/h5-8,15-16,18,20,25-26,30-31H,4,9-14,17H2,1-3H3/t18-,20-,25+,26-/m0/s1", "name": "Deoxytubulosine", "names": [ "Deoxytubulosine" ] }, { "compound_id": "C11818", "inchi": "InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1", "name": "(R)-Canadine", "names": [ "(R)-Canadine" ] }, { "compound_id": "C11819", "inchi": "InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3", "name": "Cromakalim", "names": [ "Cromakalim" ] }, { "compound_id": "C11820", "inchi": "InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14)", "name": "alpha-Methyl-m-tyrosine", "names": [ "alpha-Methyl-m-tyrosine" ] }, { "compound_id": "C11821", "inchi": "InChI=1S/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)", "name": "5-Hydroxyisourate", "names": [ "5-Hydroxyisourate" ] }, { "compound_id": "C11822", "inchi": "InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7)/t2-/m0/s1", "name": "2-Aminomalonate semialdehyde", "names": [ "2-Aminomalonate semialdehyde", "2-Ammoniomalonate semialdehyde" ] }, { "compound_id": "C11823", "inchi": null, "name": "2,3-Ene acid", "names": [ "2,3-Ene acid" ] }, { "compound_id": "C11824", "inchi": null, "name": "Cyclic amide", "names": [ "Cyclic amide" ] }, { "compound_id": "C11825", "inchi": "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1", "name": "3beta-Hydroxy-5beta-pregnane-20-one", "names": [ "3beta-Hydroxy-5beta-pregnane-20-one" ] }, { "compound_id": "C11826", "inchi": "InChI=1S/C133H220N16O45P2/c1-73(2)39-29-40-74(3)41-30-42-75(4)43-31-44-76(5)45-32-46-77(6)47-33-48-78(7)49-34-50-79(8)51-35-52-80(9)53-36-54-81(10)55-37-56-82(11)57-38-58-83(12)65-68-183-195(179,180)194-196(181,182)193-133-109(145-95(24)157)117(185-91(20)123(168)137-87(16)121(166)149-99(129(177)178)62-64-105(159)147-97(60-26-28-67-135)125(170)139-85(14)119(164)141-89(18)127(173)174)115(103(72-153)189-133)192-131-107(143-93(22)155)112(162)113(101(70-151)187-131)190-132-108(144-94(23)156)116(114(102(71-152)188-132)191-130-106(142-92(21)154)111(161)110(160)100(69-150)186-130)184-90(19)122(167)136-86(15)120(165)148-98(128(175)176)61-63-104(158)146-96(59-25-27-66-134)124(169)138-84(13)118(163)140-88(17)126(171)172/h39,41,43,45,47,49,51,53,55,57,65,84-91,96-103,106-117,130-133,150-153,160-162H,25-38,40,42,44,46,48,50,52,54,56,58-64,66-72,134-135H2,1-24H3,(H,136,167)(H,137,168)(H,138,169)(H,139,170)(H,140,163)(H,141,164)(H,142,154)(H,143,155)(H,144,156)(H,145,157)(H,146,158)(H,147,159)(H,148,165)(H,149,166)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)/b74-41+,75-43+,76-45-,77-47-,78-49-,79-51-,80-53-,81-55-,82-57-,83-65-/t84-,85-,86+,87+,88-,89-,90-,91-,96+,97+,98-,99-,100-,101-,102-,103-,106-,107-,108-,109-,110-,111-,112-,113?,114?,115?,116-,117-,130?,131?,132?,133-/m1/s1", "name": "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala)]n-diphosphoundecaprenol", "names": [ "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala)]n+1-diphosphoundecaprenol", "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala)]n-diphosphoundecaprenol", "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n+1-diphosphoundecaprenol", "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n-diphosphoundecaprenol" ] }, { "compound_id": "C11827", "inchi": "InChI=1S/C135H220N16O49P2/c1-71(2)37-25-38-72(3)39-26-40-73(4)41-27-42-74(5)43-28-44-75(6)45-29-46-76(7)47-30-48-77(8)49-31-50-78(9)51-32-52-79(10)53-33-54-80(11)55-34-56-81(12)65-66-189-201(185,186)200-202(187,188)199-135-109(147-93(24)159)117(191-89(20)123(170)139-85(16)121(168)151-99(131(183)184)62-64-105(161)149-97(60-36-58-95(137)129(179)180)125(172)141-83(14)119(166)143-87(18)127(175)176)115(103(70-155)195-135)198-133-107(145-91(22)157)112(164)113(101(68-153)193-133)196-134-108(146-92(23)158)116(114(102(69-154)194-134)197-132-106(144-90(21)156)111(163)110(162)100(67-152)192-132)190-88(19)122(169)138-84(15)120(167)150-98(130(181)182)61-63-104(160)148-96(59-35-57-94(136)128(177)178)124(171)140-82(13)118(165)142-86(17)126(173)174/h37,39,41,43,45,47,49,51,53,55,65,82-89,94-103,106-117,132-135,152-155,162-164H,25-36,38,40,42,44,46,48,50,52,54,56-64,66-70,136-137H2,1-24H3,(H,138,169)(H,139,170)(H,140,171)(H,141,172)(H,142,165)(H,143,166)(H,144,156)(H,145,157)(H,146,158)(H,147,159)(H,148,160)(H,149,161)(H,150,167)(H,151,168)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)/b72-39+,73-41+,74-43-,75-45-,76-47-,77-49-,78-51-,79-53-,80-55-,81-65-/t82-,83-,84+,85+,86-,87-,88-,89-,94-,95-,96+,97+,98-,99-,100-,101-,102-,103-,106-,107-,108-,109-,110-,111-,112-,113?,114?,115?,116-,117-,132?,133?,134?,135-/m1/s1", "name": "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-A2pm-D-Ala-D-Ala)]n-diphosphoundecaprenol", "names": [ "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-A2pm-D-Ala-D-Ala)]n+1-diphosphoundecaprenol", "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-A2pm-D-Ala-D-Ala)]n-diphosphoundecaprenol" ] }, { "compound_id": "C11829", "inchi": "InChI=1S/C35H35N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15,32,40H,1-2,10-11,16H2,3-7H3,(H2-,36,37,38,39,41,42);/q-1;+2/p-1/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;", "name": "13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester", "names": [ "13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester", "13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester" ] }, { "compound_id": "C11830", "inchi": "InChI=1S/C35H34N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15H,1-2,10-11,16H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;", "name": "13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester", "names": [ "13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester", "13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester" ] }, { "compound_id": "C11831", "inchi": "InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1", "name": "Divinylprotochlorophyllide", "names": [ "2,4-Divinylprotochlorophyllide", "Divinylprotochlorophyllide", "Mg-2,4-Divinyl-phaeoporphyrin a5-monomethylester" ] }, { "compound_id": "C11832", "inchi": "InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1", "name": "Divinyl chlorophyllide a", "names": [ "Divinyl chlorophyllide a" ] }, { "compound_id": "C11833", "inchi": "InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6-,7-/m1/s1", "name": "Isoclavulanic acid", "names": [ "Isoclavulanic acid" ] }, { "compound_id": "C11834", "inchi": "InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2", "name": "4-Benzyloxybenzyl alcohol", "names": [ "4-Benzyloxybenzyl alcohol" ] }, { "compound_id": "C11837", "inchi": "InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1", "name": "N-Butyryl-L-homoserine lactone", "names": [ "N-Butyryl-L-homoserine lactone" ] }, { "compound_id": "C11838", "inchi": "InChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h4,6,8H,2H2,1H3/t4-/m0/s1", "name": "(4S)-4,5-Dihydroxypentan-2,3-dione", "names": [ "(4S)-4,5-Dihydroxypentan-2,3-dione" ] }, { "compound_id": "C11839", "inchi": "InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)", "name": "N-(3-Oxohexanoyl)homoserine lactone", "names": [ "N-(3-Oxohexanoyl)homoserine lactone" ] }, { "compound_id": "C11840", "inchi": "InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)", "name": "N-(3-Oxododecanoyl)homoserine lactone", "names": [ "N-(3-Oxododecanoyl)homoserine lactone" ] }, { "compound_id": "C11841", "inchi": "InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1", "name": "N-(3-Oxooctanoyl)homoserine lactone", "names": [ "N-(3-Oxooctanoyl)-L-homoserine lactone", "N-(3-Oxooctanoyl)homoserine lactone", "OOHL" ] }, { "compound_id": "C11842", "inchi": "InChI=1S/C8H13NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h5-6,10H,2-4H2,1H3,(H,9,11)/t5-,6?/m0/s1", "name": "N-(3-(S)-Hydroxybutyryl)homoserine lactone", "names": [ "N-(3-(S)-Hydroxybutyryl)homoserine lactone" ] }, { "compound_id": "C11843", "inchi": "InChI=1S/C8H15NO4/c1-2-3-7(11)9-6(4-5-10)8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13)", "name": "2 -(Butylamido)-4-hydroxybutanoic acid", "names": [ "2 -(Butylamido)-4-hydroxybutanoic acid" ] }, { "compound_id": "C11844", "inchi": "InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1", "name": "N-Heptanoylhomoserine lactone", "names": [ "N-Heptanoylhomoserine lactone" ] }, { "compound_id": "C11845", "inchi": "InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,19,21)/b8-7-/t15?,16-/m0/s1", "name": "N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone", "names": [ "N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone" ] }, { "compound_id": "C11846", "inchi": "InChI=1S/C8H12N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4,6H,3H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1", "name": "Cyclo(deltaAla-L-Val)", "names": [ "Cyclo(deltaAla-L-Val)" ] }, { "compound_id": "C11847", "inchi": "InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)/t11-,12-/m0/s1", "name": "Cyclo(L-Phe-L-Pro)", "names": [ "Cyclo(L-Phe-L-Pro)" ] }, { "compound_id": "C11848", "inchi": "InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,16,19H,2-6,11H2,1H3", "name": "2-Heptyl-3-hydroxy-quinolone", "names": [ "2-Heptyl-3-hydroxy-quinolone" ] }, { "compound_id": "C11849", "inchi": "InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3", "name": "3-Hydroxy-palmitic acid methyl ester", "names": [ "3-Hydroxy-palmitic acid methyl ester" ] }, { "compound_id": "C11850", "inchi": "InChI=1S/C55H71N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13-14,26,28-33,37,41,51H,1-2,15-25,27H2,3-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1", "name": "Divinylchlorophyll a", "names": [ "Divinylchlorophyll a" ] }, { "compound_id": "C11851", "inchi": "InChI=1S/C55H75N4O6.Zn/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1", "name": "Zn-Bacterio-chlorophyll a", "names": [ "Zinc bacteriochlorophyll a", "Zn-Bacterio-chlorophyll a" ] }, { "compound_id": "C11853", "inchi": "InChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-14(20)18(2)7-6-15(22)19(3,17(23)24)16(18)13(20)10-21/h10,12-16,22H,1,4-9H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19-,20-/m1/s1", "name": "Gibberellin A14 aldehyde", "names": [ "Gibberellin A14 aldehyde" ] }, { "compound_id": "C11854", "inchi": "InChI=1S/C19H22O5/c1-9-6-19-7-10(9)3-4-13(19)12-5-11(20)8-18(2,17(23)24)14(12)15(19)16(21)22/h5,10,13-15H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t10-,13+,14-,15-,18-,19+/m1/s1", "name": "Gibberellin A51-catabolite", "names": [ "Gibberellin A51-catabolite" ] }, { "compound_id": "C11855", "inchi": "InChI=1S/C19H22O6/c1-9-6-18-8-19(9,25)4-3-12(18)11-5-10(20)7-17(2,16(23)24)13(11)14(18)15(21)22/h5,12-14,25H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t12-,13+,14+,17+,18-,19-/m0/s1", "name": "Gibberellin A29-catabolite", "names": [ "Gibberellin A29-catabolite" ] }, { "compound_id": "C11856", "inchi": "InChI=1S/C19H22O6/c1-8-5-17-7-18(8,23)4-3-10(17)19-6-9-13(24-9)16(2,15(22)25-19)12(19)11(17)14(20)21/h9-13,23H,1,3-7H2,2H3,(H,20,21)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1", "name": "Gibberellin A6", "names": [ "Gibberellin A6" ] }, { "compound_id": "C11857", "inchi": "InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1", "name": "Gibberellin A12", "names": [ "Gibberellin A12" ] }, { "compound_id": "C11858", "inchi": "InChI=1S/C20H28O5/c1-10-8-20-9-11(10)4-5-12(20)18(2)7-6-13(21)19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12+,13+,14-,15+,18+,19-,20+/m1/s1", "name": "Gibberellin A14", "names": [ "Gibberellin A14" ] }, { "compound_id": "C11859", "inchi": "InChI=1S/C20H28O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h11-15,21-22H,1,3-9H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1", "name": "Gibberellin A37 open lactone", "names": [ "Gibberellin A37 open lactone" ] }, { "compound_id": "C11860", "inchi": "InChI=1S/C20H28O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h12-15,21H,1,3-10H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1", "name": "Gibberellin A15 open lactone", "names": [ "Gibberellin A15 open lactone" ] }, { "compound_id": "C11861", "inchi": "InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1", "name": "Gibberellin A24", "names": [ "Gibberellin A24" ] }, { "compound_id": "C11862", "inchi": "InChI=1S/C20H26O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1", "name": "Gibberellin A36", "names": [ "Gibberellin A36" ] }, { "compound_id": "C11863", "inchi": "InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1", "name": "Gibberellin A9", "names": [ "Gibberellin A9" ] }, { "compound_id": "C11864", "inchi": "InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1", "name": "Gibberellin A4", "names": [ "Gibberellin A4" ] }, { "compound_id": "C11865", "inchi": "InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1", "name": "Gibberellin A51", "names": [ "Gibberellin A51" ] }, { "compound_id": "C11866", "inchi": "InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,6,11-14H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1", "name": "2,3-Dehydro-gibberellin A9", "names": [ "2,3-Dehydro-gibberellin A9", "2,3-Didehydro-gibberellin A9" ] }, { "compound_id": "C11867", "inchi": "InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1", "name": "Gibberellin A7", "names": [ "Gibberellin A7" ] }, { "compound_id": "C11868", "inchi": "InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1", "name": "Gibberellin A34", "names": [ "Gibberellin A34" ] }, { "compound_id": "C11869", "inchi": "InChI=1S/C19H22O6/c1-8-6-19-7-9(8)3-4-11(19)10-5-12(20)15(21)18(2,17(24)25)13(10)14(19)16(22)23/h5,9,11,13-15,21H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)/t9-,11+,13-,14-,15+,18+,19+/m1/s1", "name": "Gibberellin A34-catabolite", "names": [ "Gibberellin A34-catabolite" ] }, { "compound_id": "C11870", "inchi": "InChI=1S/C19H22O7/c1-8-6-18-7-19(8,26)4-3-10(18)9-5-11(20)14(21)17(2,16(24)25)12(9)13(18)15(22)23/h5,10,12-14,21,26H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)/t10-,12+,13+,14-,17-,18-,19-/m0/s1", "name": "Gibberellin A8-catabolite", "names": [ "Gibberellin A8-catabolite" ] }, { "compound_id": "C11871", "inchi": "InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1", "name": "Gibberellin A5", "names": [ "Gibberellin A5" ] }, { "compound_id": "C11872", "inchi": "InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17+,18+,19-,20-/m1/s1", "name": "Kaur-16-en-18-ol", "names": [ "(-)-Kaur-16-en-18-ol", "Kaur-16-en-18-ol", "Kaurenol", "ent-Kaur-16-en-19-ol" ] }, { "compound_id": "C11873", "inchi": "InChI=1S/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3/t15-,16-,17+,18+,19-,20-/m1/s1", "name": "Kaur-16-en-18-al", "names": [ "(-)-Kaur-16-en-18-al", "4alpha-Kaur-16-en-18-al", "Kaur-16-en-18-al", "Kaurenal", "ent-Kaur-16-en-19-al", "ent-Kaurenal" ] }, { "compound_id": "C11874", "inchi": "InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1", "name": "Kaur-16-en-18-oic acid", "names": [ "(-)-Kaur-16-en-19-oic acid", "Kaur-16-en-18-oic acid", "Kaurenic acid", "Kaurenoic acid", "ent-Kaur-16(17)-en-19-oic acid", "ent-Kaur-16-en-19-oate", "ent-Kaur-16-en-19-oic acid", "ent-Kaurenoic acid" ] }, { "compound_id": "C11875", "inchi": "InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20+/m1/s1", "name": "ent-7alpha-Hydroxykaur-16-en-19-oic acid", "names": [ "(-)-Kaur-16-en-7beta-ol-19-oic acid", "ent-7alpha-Hydroxykaur-16-en-19-oate", "ent-7alpha-Hydroxykaur-16-en-19-oic acid" ] }, { "compound_id": "C11876", "inchi": "InChI=1S/C20H30O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(21)16(20)22/h12-16,21-22H,1,4-10H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19-,20+/m1/s1", "name": "6beta,7beta-Dihydroxykaurenoic acid", "names": [ "6beta,7beta-Dihydroxykaurenoic acid", "ent-6alpha,7alpha-Dihydroxykaur-16-en-19-oic acid" ] }, { "compound_id": "C11877", "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19-,20+/m1/s1", "name": "(+)-Sandaracopimaradiene", "names": [ "(+)-Sandaracopimaradiene" ] }, { "compound_id": "C11878", "inchi": "InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1", "name": "(-)-Abietadiene", "names": [ "(-)-Abietadiene", "Abietadiene" ] }, { "compound_id": "C11879", "inchi": "InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,13-14,17-18H,6,8-12H2,1-5H3/t17-,18-,20+/m0/s1", "name": "Levopimaradiene", "names": [ "Levopimaradiene" ] }, { "compound_id": "C11880", "inchi": "InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1", "name": "Neoabietadiene", "names": [ "Neoabietadiene" ] }, { "compound_id": "C11881", "inchi": "InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13-14,18H,6-12H2,1-5H3/t18-,20+/m0/s1", "name": "Palustradiene", "names": [ "Palustradiene" ] }, { "compound_id": "C11882", "inchi": "InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1", "name": "Abietinol", "names": [ "Abietinol", "Abietol" ] }, { "compound_id": "C11883", "inchi": "InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,12,14,17-18,21H,5,7-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1", "name": "Levopimarinol", "names": [ "Levopimarinol" ] }, { "compound_id": "C11884", "inchi": "InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,17-18,21H,5-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1", "name": "Neoabietinol", "names": [ "Neoabietinol", "Neoabietol" ] }, { "compound_id": "C11885", "inchi": "InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18-,19-,20+/m0/s1", "name": "Neoabietal", "names": [ "Neoabietal", "Neoabietinal" ] }, { "compound_id": "C11886", "inchi": "InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,12-14,17-18H,5,7-11H2,1-4H3/t17-,18-,19-,20+/m0/s1", "name": "Levopimarinal", "names": [ "Levopimarinal" ] }, { "compound_id": "C11887", "inchi": "InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1", "name": "Abietal", "names": [ "Abietal", "Abietaldehyde", "Abietinal" ] }, { "compound_id": "C11888", "inchi": "InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1", "name": "Levopimaric acid", "names": [ "L-Pimaric acid", "Levopimaric acid" ] }, { "compound_id": "C11889", "inchi": "InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1", "name": "Neoabietic acid", "names": [ "Neoabietic acid" ] }, { "compound_id": "C11890", "inchi": "InChI=1S/C20H34O/c1-17(2)8-5-9-18(3)16(17)7-6-14-12-15-13-20(14,18)11-10-19(15,4)21/h14-16,21H,5-13H2,1-4H3/t14-,15?,16-,18-,19+,20-/m0/s1", "name": "Aphidicolan-16beta-ol", "names": [ "Aphidicolan-16beta-ol" ] }, { "compound_id": "C11891", "inchi": "InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3/t15?,16-,17-,19-,20-/m0/s1", "name": "Aphidicol-16-ene", "names": [ "Aphidicol-16-ene" ] }, { "compound_id": "C11892", "inchi": "InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h8,15-17H,5-7,9-13H2,1-4H3/t15?,16-,17-,19-,20-/m0/s1", "name": "Aphidicol-15-ene", "names": [ "Aphidicol-15-ene" ] }, { "compound_id": "C11893", "inchi": "InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11+", "name": "Cembrene", "names": [ "(+)-Cembrene", "(+)-Thunbergen", "Cembrene", "Thunbergen" ] }, { "compound_id": "C11894", "inchi": "InChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m0/s1", "name": "Taxa-4(5),11(12)-diene", "names": [ "Taxa-4(5),11(12)-diene", "Taxa-4,11-diene" ] }, { "compound_id": "C11895", "inchi": "InChI=1S/C20H32O/c1-13-6-7-15-12-17-14(2)18(21)9-11-20(17,5)10-8-16(13)19(15,3)4/h15,17-18,21H,2,6-12H2,1,3-5H3/t15-,17+,18-,20+/m0/s1", "name": "Taxa-4(20),11(12)-dien-5alpha-ol", "names": [ "Taxa-4(20),11(12)-dien-5alpha-ol", "Taxa-4(20),11-dien-5alpha-ol" ] }, { "compound_id": "C11896", "inchi": "InChI=1S/C22H34O2/c1-14-7-8-17-13-19-15(2)20(24-16(3)23)10-12-22(19,6)11-9-18(14)21(17,4)5/h17,19-20H,2,7-13H2,1,3-6H3/t17-,19+,20-,22+/m0/s1", "name": "Taxa-4(20),11(12)-dien-5alpha-yl acetate", "names": [ "Taxa-4(20),11(12)-dien-5alpha-yl acetate" ] }, { "compound_id": "C11897", "inchi": "InChI=1S/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3/t14-,16-,17+,18+,20-/m1/s1", "name": "Taxa-4(20),11(12)-dien-5alpha,13alpha-diol", "names": [ "Taxa-4(20),11(12)-dien-5alpha,13alpha-diol" ] }, { "compound_id": "C11898", "inchi": "InChI=1S/C22H34O3/c1-13-7-8-16-11-17-14(2)19(25-15(3)23)9-10-22(17,6)12-18(24)20(13)21(16,4)5/h16-19,24H,2,7-12H2,1,3-6H3/t16-,17+,18-,19-,22-/m0/s1", "name": "Taxa-4(20),11(12)-dien-5alpha-acetoxy-10beta-ol", "names": [ "10beta-Hydroxytaxa-4(20),11-dien-5alpha-yl acetate", "5alpha-Acetoxytaxa-4(20),11(12)-dien-10beta-ol", "Taxa-4(20),11(12)-dien-5alpha-acetoxy-10beta-ol" ] }, { "compound_id": "C11899", "inchi": "InChI=1S/C22H32O9/c1-9-11(24)7-22(29)18(28)16-20(5,17(27)15(26)14(9)19(22,3)4)12(25)6-13-21(16,8-30-13)31-10(2)23/h11-13,15-16,18,24-26,28-29H,6-8H2,1-5H3/t11-,12-,13+,15+,16-,18-,20+,21-,22+/m0/s1", "name": "10-Deacetyl-2-debenzoylbaccatin III", "names": [ "10-Deacetyl-2-debenzoylbaccatin III" ] }, { "compound_id": "C11900", "inchi": "InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1", "name": "Baccatin III", "names": [ "Baccatin III" ] }, { "compound_id": "C11901", "inchi": "InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m0/s1", "name": "Copalyl diphosphate", "names": [ "(+)-Copalyl diphosphate", "Copalyl diphosphate", "Labdadienyl diphosphate" ] }, { "compound_id": "C11902", "inchi": "InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18+,20-/m1/s1", "name": "9alpha-Copalyl diphosphate", "names": [ "9alpha-Copalyl diphosphate", "syn-Copalyl diphosphate" ] }, { "compound_id": "C11903", "inchi": "InChI=1S/C37H50N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32H,9-12,14,16,18,20,25-26H2,1-6H3/b29-15+,30-17+,31-19+", "name": "Methanophenazine", "names": [ "2-(2,3-Dihydro-all-trans-pentaprenyloxy)phenazine", "2-(2,3-Dihydropentaprenyloxy)phenazine", "Methanophenazine" ] }, { "compound_id": "C11904", "inchi": "InChI=1S/C37H52N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32,38-39H,9-12,14,16,18,20,25-26H2,1-6H3/b29-15+,30-17+,31-19+", "name": "Dihydromethanophenazine", "names": [ "2-(Dihydropentaprenyloxy)-dihydrophenazine", "Dihydromethanophenazine" ] }, { "compound_id": "C11905", "inchi": "InChI=1S/C20H28O4/c1-12-9-19-11-20(12,24)8-5-14(19)17(2)6-4-7-18(3,16(22)23)15(17)13(19)10-21/h10,13-15,24H,1,4-9,11H2,2-3H3,(H,22,23)/t13-,14-,15-,17-,18+,19+,20-/m0/s1", "name": "Gibberellin A53 aldehyde", "names": [ "Gibberellin A53 aldehyde" ] }, { "compound_id": "C11906", "inchi": "InChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1", "name": "Sodium arsenite", "names": [ "Sodium arsenite", "Sodium dioxoarsenate" ] }, { "compound_id": "C11907", "inchi": "InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12+,13-,15-/m1/s1", "name": "4,6-Dideoxy-4-oxo-dTDP-D-glucose", "names": [ "4,6-Dideoxy-4-oxo-dTDP-D-glucose", "dTDP-4-dehydro-6-deoxy-D-galactose", "dTDP-4-dehydro-6-deoxy-D-glucose", "dTDP-4-dehydro-6-deoxy-alpha-D-galactose", "dTDP-4-dehydro-6-deoxy-alpha-D-glucose", "dTDP-4-oxo-6-deoxy-D-glucose", "dTDP-4-oxo-6-deoxy-alpha-D-glucose" ] }, { "compound_id": "C11908", "inchi": "InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-11,13,15,19-20,22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11-,13-,15-/m1/s1", "name": "3,6-Dideoxy-3-oxo-dTDP-D-glucose", "names": [ "3,6-Dideoxy-3-oxo-dTDP-D-glucose", "dTDP-3-oxo-6-deoxy-D-glucose", "dTDP-3-oxo-6-deoxy-alpha-D-glucose" ] }, { "compound_id": "C11909", "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-14(7)22)12-4-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)10(20)3-8(2)29-15/h5,8-9,11-13,15,19,21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-,15-/m1/s1", "name": "dTDP-3-oxo-4,6-dideoxy-D-glucose", "names": [ "dTDP-3-oxo-4,6-dideoxy-D-glucose", "dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose" ] }, { "compound_id": "C11910", "inchi": "InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-14(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)9(17)3-8(2)29-15/h5,8-13,15,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9+,10+,11-,12-,13-,15-/m1/s1", "name": "dTDP-3-amino-3,4,6-trideoxy-D-glucose", "names": [ "dTDP-3-amino-3,4,6-trideoxy-D-glucose", "dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose" ] }, { "compound_id": "C11911", "inchi": "InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-16(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-17-15(23)11(20(3)4)5-10(2)31-17/h7,10-15,17,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11+,12+,13-,14-,15-,17-/m1/s1", "name": "dTDP-D-desosamine", "names": [ "dTDP-3-dimethylamino-3,4,6-trideoxy-D-glucose", "dTDP-3-dimethylamino-3,4,6-trideoxy-alpha-D-glucose", "dTDP-D-desosamine", "dTDP-alpha-D-desosamine" ] }, { "compound_id": "C11912", "inchi": "InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11-,12-,13-,15-/m1/s1", "name": "dTDP-6-deoxy-D-allose", "names": [ "dTDP-6-deoxy-D-allose" ] }, { "compound_id": "C11913", "inchi": "InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6-,7-,8?/m1/s1", "name": "D-Mycinose", "names": [ "6-Deoxy-2,3-di-O-methyl-D-allo-hexose", "D-Mycinose" ] }, { "compound_id": "C11915", "inchi": "InChI=1S/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10-,11+,12+,13+,17+/m0/s1", "name": "dTDP-3-methyl-4-oxo-2,6-dideoxy-L-glucose", "names": [ "dTDP-3-methyl-4-oxo-2,6-dideoxy-L-glucose" ] }, { "compound_id": "C11916", "inchi": "InChI=1S/C17H28N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-14,20-21,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10-,11+,12+,13+,14-,17+/m0/s1", "name": "dTDP-L-mycarose", "names": [ "dTDP-2,6-dideoxy-3-C-methyl-beta-L-ribo-hexose", "dTDP-L-mycarose", "dTDP-beta-L-mycarose" ] }, { "compound_id": "C11917", "inchi": "InChI=1S/C8H16O4/c1-5-7(10)8(2,11-3)4-6(9)12-5/h5-7,9-10H,4H2,1-3H3/t5-,6?,7-,8+/m0/s1", "name": "L-Cladinose", "names": [ "L-Cladinose" ] }, { "compound_id": "C11918", "inchi": "InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3", "name": "Maltol", "names": [ "Maltol" ] }, { "compound_id": "C11919", "inchi": "InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-16,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11+,12-,13+,14+,15+,16?/m0/s1", "name": "dTDP-L-megosamine", "names": [ "dTDP-L-megosamine" ] }, { "compound_id": "C11920", "inchi": "InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10-,11+,12+,13+,14-/m0/s1", "name": "dTDP-L-olivose", "names": [ "dTDP-L-olivose" ] }, { "compound_id": "C11921", "inchi": "InChI=1S/C17H28N2O14P2/c1-8-6-19(17(23)18-16(8)22)13-4-10(20)12(31-13)7-29-34(24,25)33-35(26,27)32-14-5-11(28-3)15(21)9(2)30-14/h6,9-15,20-21H,4-5,7H2,1-3H3,(H,24,25)(H,26,27)(H,18,22,23)/t9-,10-,11-,12+,13+,14+,15-/m0/s1", "name": "dTDP-L-oleandrose", "names": [ "dTDP-L-oleandrose" ] }, { "compound_id": "C11922", "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-/m1/s1", "name": "dTDP-4-oxo-2,6-dideoxy-D-glucose", "names": [ "dTDP-4-oxo-2,6-dideoxy-D-glucose", "dTDP-4-oxo-2,6-dideoxy-alpha-D-glucose" ] }, { "compound_id": "C11923", "inchi": "InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-,14-/m1/s1", "name": "dTDP-D-olivose", "names": [ "dTDP-2,6-dideoxy-D-glucose", "dTDP-D-olivose", "dTDP-alpha-D-olivose" ] }, { "compound_id": "C11924", "inchi": "InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)", "name": "Perillic acid", "names": [ "Perillic acid" ] }, { "compound_id": "C11925", "inchi": "InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12-,13-,15-/m1/s1", "name": "dTDP-3-amino-3,6-dideoxy-D-glucose", "names": [ "dTDP-3-amino-3,6-dideoxy-D-glucose" ] }, { "compound_id": "C11926", "inchi": "InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12-,13-,15-/m1/s1", "name": "dTDP-4-oxo-6-deoxy-D-allose", "names": [ "dTDP-4-oxo-6-deoxy-D-allose" ] }, { "compound_id": "C11927", "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10-,11+,12+,13+/m0/s1", "name": "dTDP-4-oxo-2,6-dideoxy-L-mannose", "names": [ "dTDP-4-oxo-2,6-dideoxy-L-mannose" ] }, { "compound_id": "C11928", "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10+,11-,12-,13-/m1/s1", "name": "dTDP-4-oxo-2,6-dideoxy-D-allose", "names": [ "dTDP-4-oxo-2,6-dideoxy-D-allose" ] }, { "compound_id": "C11929", "inchi": "InChI=1S/C31H48N7O17P3S/c1-17(2)18-5-7-19(8-6-18)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(3,4)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h7,15-16,18,20,23-25,29,40-41H,1,5-6,8-14H2,2-4H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t18?,20-,23-,24-,25?,29-/m1/s1", "name": "Perillyl-CoA", "names": [ "Perillyl-CoA" ] }, { "compound_id": "C11930", "inchi": "InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h4-5,8-9,11-13,19-20H,3,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-/m1/s1", "name": "dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose", "names": [ "dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose" ] }, { "compound_id": "C11931", "inchi": "InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h4-5,8-9,11-13,19-20H,3,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,11+,12+,13+/m0/s1", "name": "dTDP-2,6-dideoxy-L-glycero-hex-2-enos-4-ulose", "names": [ "dTDP-2,6-dideoxy-L-glycero-hex-2-enos-4-ulose" ] }, { "compound_id": "C11932", "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-9,11-14,19,21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,11+,12+,13+,14-/m0/s1", "name": "dTDP-2,6-dideoxy-L-erythro-hexos-3-ulose", "names": [ "dTDP 1-ester with 2,6-dideoxy-L-erythro-hexopyranos-3-ulose", "dTDP-2,6-dideoxy-L-erythro-hexos-3-ulose" ] }, { "compound_id": "C11933", "inchi": "InChI=1S/C18H31N3O14P2/c1-8-6-21(18(26)19-16(8)25)12-5-10(22)11(33-12)7-31-36(27,28)35-37(29,30)34-17-15(24)13(20(3)4)14(23)9(2)32-17/h6,9-15,17,22-24H,5,7H2,1-4H3,(H,27,28)(H,29,30)(H,19,25,26)/t9-,10+,11-,12-,13+,14-,15-,17-/m1/s1", "name": "dTDP-D-mycaminose", "names": [ "dTDP-D-mycaminose" ] }, { "compound_id": "C11934", "inchi": "InChI=1S/C31H50N7O18P3S/c1-16(2)17-5-6-18(19(39)11-17)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(3,4)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-15,17-20,23-25,29,39,41-42H,1,5-13H2,2-4H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,18?,19?,20-,23-,24-,25?,29-/m1/s1", "name": "2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA", "names": [ "2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA" ] }, { "compound_id": "C11935", "inchi": "InChI=1S/C31H48N7O18P3S/c1-16(2)17-5-6-18(19(39)11-17)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(3,4)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-15,17-18,20,23-25,29,41-42H,1,5-13H2,2-4H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,18?,20-,23-,24-,25?,29-/m1/s1", "name": "4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA", "names": [ "4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA", "4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA" ] }, { "compound_id": "C11936", "inchi": "InChI=1S/C31H50N7O19P3S/c1-17(2)18(12-21(40)41)6-5-7-22(42)61-11-10-33-20(39)8-9-34-29(45)26(44)31(3,4)14-54-60(51,52)57-59(49,50)53-13-19-25(56-58(46,47)48)24(43)30(55-19)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,18-19,24-26,30,43-44H,1,5-14H2,2-4H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t18?,19-,24-,25-,26?,30-/m1/s1", "name": "3-Isopropenylpimelyl-CoA", "names": [ "3-Isopropenylpimelyl-CoA" ] }, { "compound_id": "C11937", "inchi": "InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m1/s1", "name": "(1S,4R)-1-Hydroxy-2-oxolimonene", "names": [ "(1S,4R)-1-Hydroxy-2-oxolimonene", "(1S,4R)-1-Hydroxymenth-8-en-2-one" ] }, { "compound_id": "C11938", "inchi": "InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3", "name": "Myrtenol", "names": [ "2-Pinen-10-ol", "Myrtenol" ] }, { "compound_id": "C11939", "inchi": "InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3", "name": "Myrtenal", "names": [ "Myrtenal" ] }, { "compound_id": "C11940", "inchi": "InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)", "name": "Myrtenic acid", "names": [ "6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid", "Myrtenic acid" ] }, { "compound_id": "C11941", "inchi": "InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3", "name": "Pinocarveol", "names": [ "Pinocarveol" ] }, { "compound_id": "C11942", "inchi": "InChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5+", "name": "trans-2-Methyl-5-isopropylhexa-2,5-dienal", "names": [ "trans-2-Methyl-5-isopropylhexa-2,5-dienal" ] }, { "compound_id": "C11943", "inchi": "InChI=1S/C10H16O2/c1-7(2)8(3)5-6-9(4)10(11)12/h6-7H,3,5H2,1-2,4H3,(H,11,12)/b9-6+", "name": "trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid", "names": [ "trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid" ] }, { "compound_id": "C11944", "inchi": "InChI=1S/C10H16O2/c1-7(2)8(3)5-6-9(4)10(11)12/h6-7H,3,5H2,1-2,4H3,(H,11,12)/b9-6-", "name": "cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid", "names": [ "cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid" ] }, { "compound_id": "C11945", "inchi": "InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8+/t20-,23-,24-,25?,29-/m1/s1", "name": "trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA", "names": [ "trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA" ] }, { "compound_id": "C11946", "inchi": "InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8-/t20-,23-,24-,25?,29-/m1/s1", "name": "cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA", "names": [ "cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA" ] }, { "compound_id": "C11947", "inchi": "InChI=1S/C31H52N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18-20,23-25,29,39,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18?,19?,20-,23-,24-,25?,29-/m1/s1", "name": "3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA", "names": [ "3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA" ] }, { "compound_id": "C11948", "inchi": "InChI=1S/C31H50N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18,20,23-25,29,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18?,20-,23-,24-,25?,29-/m1/s1", "name": "2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA", "names": [ "2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA" ] }, { "compound_id": "C11949", "inchi": "InChI=1S/C28H46N7O17P3S/c1-15(2)16(3)10-19(37)56-9-8-30-18(36)6-7-31-26(40)23(39)28(4,5)12-49-55(46,47)52-54(44,45)48-11-17-22(51-53(41,42)43)21(38)27(50-17)35-14-34-20-24(29)32-13-33-25(20)35/h13-15,17,21-23,27,38-39H,3,6-12H2,1-2,4-5H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23?,27-/m1/s1", "name": "3-Isopropylbut-3-enoyl-CoA", "names": [ "3-Isopropylbut-3-enoyl-CoA" ] }, { "compound_id": "C11950", "inchi": "InChI=1S/C7H12O2/c1-5(2)6(3)4-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)", "name": "3-Isopropyl-3-butenoic acid", "names": [ "3-Isopropyl-3-butenoic acid", "3-Isopropylbut-3-enoic acid" ] }, { "compound_id": "C11951", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1", "name": "(+)-cis-Isopulegone", "names": [ "(+)-cis-Isopulegone" ] }, { "compound_id": "C11952", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1", "name": "(+)-Isomenthone", "names": [ "(+)-Isomenthone" ] }, { "compound_id": "C11953", "inchi": "InChI=1S/C33H48O8/c1-18(2)30-23(7)28(35)16-32(41-30)15-25-14-24(40-32)12-11-20(4)29(36)19(3)9-8-10-22(6)33(38)17-27(34)21(5)13-26(33)31(37)39-25/h8-11,13,18-19,23-26,28-30,35-36,38H,12,14-17H2,1-7H3/b9-8+,20-11+,22-10+/t19-,23-,24+,25-,26-,28?,29-,30+,32-,33+/m0/s1", "name": "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone", "names": [ "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone" ] }, { "compound_id": "C11954", "inchi": "InChI=1S/C33H46O9/c1-17(2)29-21(6)26(34)15-32(42-29)14-24-13-23(41-32)11-10-19(4)27(35)18(3)8-7-9-22-16-39-30-28(36)20(5)12-25(31(37)40-24)33(22,30)38/h7-10,12,17-18,21,23-27,29-30,34-35,38H,11,13-16H2,1-6H3/b8-7+,19-10+,22-9+/t18-,21-,23+,24-,25-,26?,27-,29+,30+,32-,33+/m0/s1", "name": "5-Oxoavermectin ''2b'' aglycone", "names": [ "5-Oxoavermectin ''2b'' aglycone" ] }, { "compound_id": "C11955", "inchi": "InChI=1S/C33H48O9/c1-17(2)29-21(6)26(34)15-32(42-29)14-24-13-23(41-32)11-10-19(4)27(35)18(3)8-7-9-22-16-39-30-28(36)20(5)12-25(31(37)40-24)33(22,30)38/h7-10,12,17-18,21,23-30,34-36,38H,11,13-16H2,1-6H3/b8-7+,19-10+,22-9+/t18-,21-,23+,24-,25-,26?,27-,28+,29+,30+,32-,33+/m0/s1", "name": "Avermectin B2b aglycone", "names": [ "Avermectin B2b aglycone" ] }, { "compound_id": "C11956", "inchi": "InChI=1S/C34H50O9/c1-18(2)29-22(6)27(35)16-33(43-29)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-30(39-7)21(5)13-26(32(37)41-25)34(23,31)38/h8-11,13,18-19,22,24-31,35-36,38H,12,14-17H2,1-7H3/b9-8+,20-11+,23-10+/t19-,22-,24+,25-,26-,27?,28-,29+,30+,31+,33-,34+/m0/s1", "name": "Avermectin A2b aglycone", "names": [ "Avermectin A2b aglycone" ] }, { "compound_id": "C11957", "inchi": "InChI=1S/C40H60O12/c1-20(2)35-24(6)30(41)18-39(52-35)17-28-15-27(51-39)13-12-22(4)36(50-32-16-31(46-8)34(43)25(7)48-32)21(3)10-9-11-26-19-47-37-33(42)23(5)14-29(38(44)49-28)40(26,37)45/h9-12,14,20-21,24-25,27-37,41-43,45H,13,15-19H2,1-8H3/b10-9+,22-12+,26-11+/t21-,24-,25-,27+,28-,29-,30?,31-,32?,33+,34-,35+,36?,37+,39-,40+/m0/s1", "name": "Avermectin B2b monosaccharide", "names": [ "Avermectin B2b monosaccharide" ] }, { "compound_id": "C11958", "inchi": "InChI=1S/C41H62O12/c1-21(2)35-25(6)31(42)19-40(53-35)18-29-16-28(52-40)14-13-23(4)36(51-33-17-32(46-8)34(43)26(7)49-33)22(3)11-10-12-27-20-48-38-37(47-9)24(5)15-30(39(44)50-29)41(27,38)45/h10-13,15,21-22,25-26,28-38,42-43,45H,14,16-20H2,1-9H3/b11-10+,23-13?,27-12+/t22-,25-,26-,28+,29-,30-,31?,32-,33?,34-,35+,36?,37+,38+,40-,41+/m0/s1", "name": "Avermectin A2b monosaccharide", "names": [ "Avermectin A2b monosaccharide" ] }, { "compound_id": "C11959", "inchi": "InChI=1S/C47H72O15/c1-23(2)41-27(6)34(48)21-46(62-41)20-32-17-31(61-46)15-14-25(4)42(24(3)12-11-13-30-22-55-44-39(49)26(5)16-33(45(51)58-32)47(30,44)52)59-38-19-36(54-10)43(29(8)57-38)60-37-18-35(53-9)40(50)28(7)56-37/h11-14,16,23-24,27-29,31-44,48-50,52H,15,17-22H2,1-10H3/b12-11+,25-14+,30-13+/t24-,27-,28-,29-,31+,32-,33-,34?,35-,36-,37-,38?,39+,40-,41+,42?,43-,44+,46-,47+/m0/s1", "name": "Avermectin B2b", "names": [ "Avermectin B2b" ] }, { "compound_id": "C11960", "inchi": "InChI=1S/C48H74O15/c1-24(2)41-28(6)35(49)22-47(63-41)21-33-18-32(62-47)16-15-26(4)42(60-39-20-37(54-10)44(30(8)58-39)61-38-19-36(53-9)40(50)29(7)57-38)25(3)13-12-14-31-23-56-45-43(55-11)27(5)17-34(46(51)59-33)48(31,45)52/h12-15,17,24-25,28-30,32-45,49-50,52H,16,18-23H2,1-11H3/b13-12+,26-15+,31-14+/t25-,28-,29-,30-,32+,33-,34-,35?,36-,37-,38-,39?,40-,41+,42?,43+,44-,45+,47-,48+/m0/s1", "name": "Avermectin A2b", "names": [ "Avermectin A2b" ] }, { "compound_id": "C11961", "inchi": "InChI=1S/C33H46O7/c1-19(2)30-22(5)13-14-32(40-30)17-26-16-25(39-32)12-11-21(4)29(35)20(3)9-8-10-24(7)33(37)18-28(34)23(6)15-27(33)31(36)38-26/h8-11,13-15,19-20,22,25-27,29-30,35,37H,12,16-18H2,1-7H3/b9-8+,21-11+,24-10+/t20-,22-,25+,26-,27-,29-,30+,32+,33+/m0/s1", "name": "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone", "names": [ "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone" ] }, { "compound_id": "C11962", "inchi": "InChI=1S/C33H44O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,12-14,18-19,21,24-27,29-30,34,37H,11,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27-,29+,30+,32+,33+/m0/s1", "name": "5-Oxoavermectin ''1b'' aglycone", "names": [ "5-Oxoavermectin ''1b'' aglycone" ] }, { "compound_id": "C11963", "inchi": "InChI=1S/C33H46O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,12-14,18-19,21,24-30,34-35,37H,11,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27-,28+,29+,30+,32+,33+/m0/s1", "name": "Avermectin B1b aglycone", "names": [ "Avermectin B1b aglycone" ] }, { "compound_id": "C11964", "inchi": "InChI=1S/C34H48O8/c1-19(2)29-22(5)13-14-33(42-29)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-30(38-7)23(6)15-27(32(36)40-26)34(24,31)37/h8-11,13-15,19-20,22,25-31,35,37H,12,16-18H2,1-7H3/b9-8+,21-11?,24-10+/t20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1", "name": "Avermectin A1b aglycone", "names": [ "Avermectin A1b aglycone" ] }, { "compound_id": "C11965", "inchi": "InChI=1S/C40H58O11/c1-21(2)35-24(5)14-15-39(51-35)19-29-17-28(50-39)13-12-23(4)36(49-32-18-31(45-8)34(42)26(7)47-32)22(3)10-9-11-27-20-46-37-33(41)25(6)16-30(38(43)48-29)40(27,37)44/h9-12,14-16,21-22,24,26,28-37,41-42,44H,13,17-20H2,1-8H3/b10-9+,23-12?,27-11+/t22-,24-,26-,28+,29-,30-,31-,32?,33+,34-,35+,36?,37+,39+,40+/m0/s1", "name": "Avermectin B1b monosaccharide", "names": [ "Avermectin B1b monosaccharide" ] }, { "compound_id": "C11966", "inchi": "InChI=1S/C41H60O11/c1-22(2)35-25(5)15-16-40(52-35)20-30-18-29(51-40)14-13-24(4)36(50-33-19-32(45-8)34(42)27(7)48-33)23(3)11-10-12-28-21-47-38-37(46-9)26(6)17-31(39(43)49-30)41(28,38)44/h10-13,15-17,22-23,25,27,29-38,42,44H,14,18-21H2,1-9H3/b11-10+,24-13?,28-12+/t23-,25-,27-,29+,30-,31-,32-,33?,34-,35+,36?,37+,38+,40+,41+/m0/s1", "name": "Avermectin A1b monosaccharide", "names": [ "Avermectin A1b monosaccharide" ] }, { "compound_id": "C11967", "inchi": "InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14?,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38?,39+,40-,41+,42?,43-,44+,46+,47+/m0/s1", "name": "Avermectin B1b", "names": [ "Avermectin B1b" ] }, { "compound_id": "C11968", "inchi": "InChI=1S/C48H72O14/c1-25(2)41-28(5)17-18-47(62-41)23-34-20-33(61-47)16-15-27(4)42(59-39-22-37(53-10)44(31(8)57-39)60-38-21-36(52-9)40(49)30(7)56-38)26(3)13-12-14-32-24-55-45-43(54-11)29(6)19-35(46(50)58-34)48(32,45)51/h12-15,17-19,25-26,28,30-31,33-45,49,51H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14+/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39?,40-,41+,42?,43+,44-,45+,47+,48+/m0/s1", "name": "Avermectin A1b", "names": [ "Avermectin A1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-", "Avermectin A1b" ] }, { "compound_id": "C11969", "inchi": "InChI=1S/C34H50O8/c1-8-19(2)31-24(7)29(36)17-33(42-31)16-26-15-25(41-33)13-12-21(4)30(37)20(3)10-9-11-23(6)34(39)18-28(35)22(5)14-27(34)32(38)40-26/h9-12,14,19-20,24-27,29-31,36-37,39H,8,13,15-18H2,1-7H3/b10-9+,21-12+,23-11+/t19-,20-,24-,25+,26-,27-,29?,30-,31+,33-,34+/m0/s1", "name": "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone", "names": [ "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone" ] }, { "compound_id": "C11970", "inchi": "InChI=1S/C34H48O9/c1-7-18(2)30-22(6)27(35)16-33(43-30)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-29(37)21(5)13-26(32(38)41-25)34(23,31)39/h8-11,13,18-19,22,24-28,30-31,35-36,39H,7,12,14-17H2,1-6H3/b9-8+,20-11+,23-10+/t18-,19-,22-,24+,25-,26-,27?,28-,30+,31+,33-,34+/m0/s1", "name": "5-Oxoavermectin ''2a'' aglycone", "names": [ "5-Oxoavermectin ''2a'' aglycone" ] }, { "compound_id": "C11971", "inchi": "InChI=1S/C34H50O9/c1-7-18(2)30-22(6)27(35)16-33(43-30)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-29(37)21(5)13-26(32(38)41-25)34(23,31)39/h8-11,13,18-19,22,24-31,35-37,39H,7,12,14-17H2,1-6H3/b9-8+,20-11+,23-10+/t18-,19-,22-,24+,25-,26-,27?,28-,29+,30+,31+,33-,34+/m0/s1", "name": "Avermectin B2a aglycone", "names": [ "Avermectin B2a aglycone" ] }, { "compound_id": "C11972", "inchi": "InChI=1S/C35H52O9/c1-8-19(2)30-23(6)28(36)17-34(44-30)16-26-15-25(43-34)13-12-21(4)29(37)20(3)10-9-11-24-18-41-32-31(40-7)22(5)14-27(33(38)42-26)35(24,32)39/h9-12,14,19-20,23,25-32,36-37,39H,8,13,15-18H2,1-7H3/b10-9+,21-12?,24-11+/t19-,20-,23-,25+,26-,27-,28?,29-,30+,31+,32+,34-,35+/m0/s1", "name": "Avermectin A2a aglycone", "names": [ "Avermectin A2a aglycone" ] }, { "compound_id": "C11973", "inchi": "InChI=1S/C41H62O12/c1-9-21(2)37-25(6)31(42)19-40(53-37)18-29-16-28(52-40)14-13-23(4)36(51-33-17-32(47-8)35(44)26(7)49-33)22(3)11-10-12-27-20-48-38-34(43)24(5)15-30(39(45)50-29)41(27,38)46/h10-13,15,21-22,25-26,28-38,42-44,46H,9,14,16-20H2,1-8H3/b11-10+,23-13?,27-12+/t21-,22-,25-,26-,28+,29-,30-,31?,32-,33?,34+,35-,36?,37+,38+,40-,41+/m0/s1", "name": "Avermectin B2a monosaccharide", "names": [ "Avermectin B2a monosaccharide" ] }, { "compound_id": "C11974", "inchi": "InChI=1S/C42H64O12/c1-10-22(2)37-26(6)32(43)20-41(54-37)19-30-17-29(53-41)15-14-24(4)36(52-34-18-33(47-8)35(44)27(7)50-34)23(3)12-11-13-28-21-49-39-38(48-9)25(5)16-31(40(45)51-30)42(28,39)46/h11-14,16,22-23,26-27,29-39,43-44,46H,10,15,17-21H2,1-9H3/b12-11+,24-14?,28-13+/t22-,23-,26-,27-,29+,30-,31-,32?,33-,34?,35-,36?,37+,38+,39+,41-,42+/m0/s1", "name": "Avermectin A2a monosaccharide", "names": [ "Avermectin A2a monosaccharide" ] }, { "compound_id": "C11975", "inchi": "InChI=1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15?,31-14+/t24-,25-,28-,29-,30-,32+,33-,34-,35?,36-,37-,38-,39?,40+,41-,42?,43+,44-,45+,47-,48+/m0/s1", "name": "Avermectin B2a", "names": [ "Avermectin B2a" ] }, { "compound_id": "C11976", "inchi": "InChI=1S/C49H76O15/c1-12-25(2)43-29(6)36(50)23-48(64-43)22-34-19-33(63-48)17-16-27(4)42(61-40-21-38(55-10)45(31(8)59-40)62-39-20-37(54-9)41(51)30(7)58-39)26(3)14-13-15-32-24-57-46-44(56-11)28(5)18-35(47(52)60-34)49(32,46)53/h13-16,18,25-26,29-31,33-46,50-51,53H,12,17,19-24H2,1-11H3/b14-13+,27-16+,32-15+/t25-,26-,29-,30-,31-,33+,34-,35-,36?,37-,38-,39-,40?,41-,42?,43+,44+,45-,46+,48-,49+/m0/s1", "name": "Avermectin A2a", "names": [ "Avermectin A1a, 22,23-dihydro-23-hydroxy-, (23S)-", "Avermectin A2a" ] }, { "compound_id": "C11977", "inchi": "InChI=1S/C34H48O7/c1-8-20(2)31-23(5)14-15-33(41-31)18-27-17-26(40-33)13-12-22(4)30(36)21(3)10-9-11-25(7)34(38)19-29(35)24(6)16-28(34)32(37)39-27/h9-12,14-16,20-21,23,26-28,30-31,36,38H,8,13,17-19H2,1-7H3/b10-9+,22-12+,25-11+/t20-,21-,23-,26+,27-,28-,30-,31+,33+,34+/m0/s1", "name": "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone", "names": [ "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone" ] }, { "compound_id": "C11978", "inchi": "InChI=1S/C34H46O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,13-15,19-20,22,25-28,30-31,35,38H,7,12,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19-,20-,22-,25+,26-,27-,28-,30+,31+,33+,34+/m0/s1", "name": "5-Oxoavermectin ''1a'' aglycone", "names": [ "5-Oxoavermectin ''1a'' aglycone" ] }, { "compound_id": "C11979", "inchi": "InChI=1S/C34H48O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,13-15,19-20,22,25-31,35-36,38H,7,12,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1", "name": "Avermectin B1a aglycone", "names": [ "Avermectin B1a aglycone" ] }, { "compound_id": "C11980", "inchi": "InChI=1S/C35H50O8/c1-8-20(2)30-23(5)14-15-34(43-30)18-27-17-26(42-34)13-12-22(4)29(36)21(3)10-9-11-25-19-40-32-31(39-7)24(6)16-28(33(37)41-27)35(25,32)38/h9-12,14-16,20-21,23,26-32,36,38H,8,13,17-19H2,1-7H3/b10-9+,22-12?,25-11+/t20-,21-,23-,26+,27-,28-,29-,30+,31+,32+,34+,35+/m0/s1", "name": "Avermectin A1a aglycone", "names": [ "Avermectin A1a aglycone" ] }, { "compound_id": "C11981", "inchi": "InChI=1S/C41H60O11/c1-9-22(2)37-25(5)15-16-40(52-37)20-30-18-29(51-40)14-13-24(4)36(50-33-19-32(46-8)35(43)27(7)48-33)23(3)11-10-12-28-21-47-38-34(42)26(6)17-31(39(44)49-30)41(28,38)45/h10-13,15-17,22-23,25,27,29-38,42-43,45H,9,14,18-21H2,1-8H3/b11-10+,24-13?,28-12+/t22-,23-,25-,27-,29+,30-,31-,32-,33?,34+,35-,36?,37+,38+,40+,41+/m0/s1", "name": "Avermectin B1a monosaccharide", "names": [ "Avermectin B1a monosaccharide" ] }, { "compound_id": "C11982", "inchi": "InChI=1S/C42H62O11/c1-10-23(2)37-26(5)16-17-41(53-37)21-31-19-30(52-41)15-14-25(4)36(51-34-20-33(46-8)35(43)28(7)49-34)24(3)12-11-13-29-22-48-39-38(47-9)27(6)18-32(40(44)50-31)42(29,39)45/h11-14,16-18,23-24,26,28,30-39,43,45H,10,15,19-22H2,1-9H3/b12-11+,25-14?,29-13+/t23-,24-,26-,28-,30+,31-,32-,33-,34?,35-,36?,37+,38+,39+,41+,42+/m0/s1", "name": "Avermectin A1a monosaccharide", "names": [ "Avermectin A1a monosaccharide" ] }, { "compound_id": "C11983", "inchi": "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39?,40+,41-,42?,43+,44-,45+,47+,48+/m0/s1", "name": "Avermectin B1a", "names": [ "Avermectin B1a" ] }, { "compound_id": "C11984", "inchi": "InChI=1S/C49H74O14/c1-12-26(2)43-29(5)18-19-48(63-43)24-35-21-34(62-48)17-16-28(4)42(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)41(50)31(7)57-39)27(3)14-13-15-33-25-56-46-44(55-11)30(6)20-36(47(51)59-35)49(33,46)52/h13-16,18-20,26-27,29,31-32,34-46,50,52H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40?,41-,42?,43+,44+,45-,46+,48+,49+/m0/s1", "name": "Avermectin A1a", "names": [ "Avermectin A1a" ] }, { "compound_id": "C11985", "inchi": "InChI=1S/C44H80N2O15/c1-16-30-44(11,54)37(50)23(4)33(47)21(2)19-43(10,61-31-18-29(46(14)15)34(48)26(7)56-31)39(60-41-35(49)28(45(12)13)17-22(3)55-41)24(5)36(25(6)40(52)58-30)59-32-20-42(9,53)38(51)27(8)57-32/h21-32,34-39,41,48-51,53-54H,16-20H2,1-15H3/t21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,31?,32+,34?,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1", "name": "Megalomicin A", "names": [ "Megalomicin A" ] }, { "compound_id": "C11986", "inchi": "InChI=1S/C46H82N2O16/c1-17-32-46(12,56)39(53)24(4)35(50)22(2)20-45(11,64-33-19-31(48(15)16)36(51)27(7)58-33)40(63-43-37(52)30(47(13)14)18-23(3)57-43)25(5)38(26(6)42(54)61-32)62-34-21-44(10,55)41(28(8)59-34)60-29(9)49/h22-28,30-34,36-41,43,51-53,55-56H,17-21H2,1-16H3/t22-,23-,24+,25+,26-,27+,28+,30+,31-,32-,33?,34+,36?,37-,38+,39-,40-,41+,43+,44-,45-,46-/m1/s1", "name": "Megalomicin B", "names": [ "4'-Acetylmegalomycin A", "Megalomicin B" ] }, { "compound_id": "C11987", "inchi": "InChI=1S/C48H84N2O17/c1-18-34-48(13,58)41(56)25(4)37(53)23(2)21-46(11,67-35-20-33(50(16)17)38(54)28(7)60-35)42(65-45-39(55)32(49(14)15)19-24(3)59-45)26(5)40(27(6)44(57)63-34)64-36-22-47(12,66-31(10)52)43(29(8)61-36)62-30(9)51/h23-29,32-36,38-43,45,54-56,58H,18-22H2,1-17H3/t23-,24-,25+,26+,27-,28+,29+,32+,33-,34-,35?,36+,38?,39-,40+,41-,42-,43+,45+,46-,47-,48-/m1/s1", "name": "Megalomicin C1", "names": [ "Megalomicin C1" ] }, { "compound_id": "C11988", "inchi": "InChI=1S/C49H86N2O17/c1-18-34-49(13,59)42(57)26(5)38(54)24(3)22-47(11,68-36-21-33(51(16)17)39(55)29(8)61-36)43(66-46-40(56)32(50(14)15)20-25(4)60-46)27(6)41(28(7)45(58)63-34)65-37-23-48(12,67-31(10)52)44(30(9)62-37)64-35(53)19-2/h24-30,32-34,36-37,39-44,46,55-57,59H,18-23H2,1-17H3/t24-,25-,26+,27+,28-,29+,30+,32+,33-,34-,36?,37+,39?,40-,41+,42-,43-,44+,46+,47-,48-,49-/m1/s1", "name": "Megalomicin C2", "names": [ "Megalomicin C2" ] }, { "compound_id": "C11989", "inchi": "InChI=1S/C20H36O6/c1-9-8-10(2)17(22)13(5)19(24)14(6)20(25)26-15(7)11(3)18(23)12(4)16(9)21/h9-15,17-19,22-24H,8H2,1-7H3/t9-,10+,11+,12+,13-,14-,15-,17+,18+,19+/m1/s1", "name": "8,8a-Deoxyoleandolide", "names": [ "8,8a-Deoxyoleandolide" ] }, { "compound_id": "C11990", "inchi": "InChI=1S/C20H34O7/c1-9-7-20(8-26-20)18(24)12(4)16(22)10(2)14(6)27-19(25)13(5)17(23)11(3)15(9)21/h9-17,21-23H,7-8H2,1-6H3/t9-,10-,11+,12+,13+,14+,15-,16-,17-,20+/m0/s1", "name": "Oleandolide", "names": [ "Oleandolide" ] }, { "compound_id": "C11991", "inchi": "InChI=1S/C26H44O10/c1-11-9-26(10-33-26)24(31)14(4)21(29)12(2)16(6)35-25(32)15(5)23(13(3)20(11)28)36-19-8-18(27)22(30)17(7)34-19/h11-23,27-30H,8-10H2,1-7H3/t11-,12-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,26+/m0/s1", "name": "L-Olivosyl-oleandolide", "names": [ "L-Olivosyl-oleandolide" ] }, { "compound_id": "C11992", "inchi": "InChI=1S/C27H46O10/c1-12-10-27(11-34-27)25(31)15(4)22(29)13(2)17(6)36-26(32)16(5)24(14(3)21(12)28)37-20-9-19(33-8)23(30)18(7)35-20/h12-24,28-30H,9-11H2,1-8H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,27+/m0/s1", "name": "L-Oleandrosyl-oleandolide", "names": [ "L-Oleandrosyl-oleandolide" ] }, { "compound_id": "C11993", "inchi": "InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1", "name": "10-Deoxymethynolide", "names": [ "10-Deoxymethynolide" ] }, { "compound_id": "C11994", "inchi": "InChI=1S/C25H43NO6/c1-9-21-14(2)10-11-20(27)15(3)12-16(4)23(18(6)24(29)31-21)32-25-22(28)19(26(7)8)13-17(5)30-25/h10-11,14-19,21-23,25,28H,9,12-13H2,1-8H3/b11-10+/t14-,15-,16+,17-,18-,19+,21-,22-,23+,25+/m1/s1", "name": "YC-17", "names": [ "10-Deoxymethymycin", "YC-17" ] }, { "compound_id": "C11995", "inchi": "InChI=1S/C25H43NO7/c1-13-9-10-20(28)14(2)11-15(3)22(17(5)24(30)32-23(13)18(6)27)33-25-21(29)19(26(7)8)12-16(4)31-25/h9-10,13-19,21-23,25,27,29H,11-12H2,1-8H3/b10-9+/t13?,14-,15+,16-,17-,18-,19+,21-,22+,23+,25+/m1/s1", "name": "Neomethymycin", "names": [ "Neomethymycin" ] }, { "compound_id": "C11996", "inchi": "InChI=1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16-,17-,18+,20-,21-,22+,24+,25+/m1/s1", "name": "Methymycin", "names": [ "Methymycin" ] }, { "compound_id": "C11997", "inchi": "InChI=1S/C20H32O5/c1-7-17-11(2)8-9-16(21)12(3)10-13(4)18(22)14(5)19(23)15(6)20(24)25-17/h8-9,11-15,17-18,22H,7,10H2,1-6H3/b9-8+/t11-,12-,13+,14-,15-,17-,18+/m1/s1", "name": "Narbonolide", "names": [ "Narbonolide" ] }, { "compound_id": "C11998", "inchi": "InChI=1S/C28H47NO7/c1-10-23-15(2)11-12-22(30)16(3)13-17(4)26(19(6)24(31)20(7)27(33)35-23)36-28-25(32)21(29(8)9)14-18(5)34-28/h11-12,15-21,23,25-26,28,32H,10,13-14H2,1-9H3/b12-11+/t15-,16-,17+,18-,19+,20-,21+,23-,25-,26+,28+/m1/s1", "name": "Narbomycin", "names": [ "Narbomycin" ] }, { "compound_id": "C11999", "inchi": "InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1", "name": "Pikromycin", "names": [ "Pikromycin" ] }, { "compound_id": "C12000", "inchi": "InChI=1S/C23H38O5/c1-7-18-12-15(4)19(24)10-9-14(3)11-16(5)21(8-2)28-22(26)13-20(25)17(6)23(18)27/h9-11,15-18,20-21,23,25,27H,7-8,12-13H2,1-6H3/b10-9+,14-11+/t15-,16+,17+,18+,20-,21-,23-/m1/s1", "name": "Tylactone", "names": [ "Protylonolide", "Tylactone" ] }, { "compound_id": "C12001", "inchi": "InChI=1S/C31H53NO8/c1-10-22-15-18(4)23(33)13-12-17(3)14-19(5)25(11-2)39-26(35)16-24(34)20(6)30(22)40-31-29(37)27(32(8)9)28(36)21(7)38-31/h12-14,18-22,24-25,27-31,34,36-37H,10-11,15-16H2,1-9H3/b13-12+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30?,31?/m1/s1", "name": "5-O-beta-D-Mycaminosyltylactone", "names": [ "5-O-beta-D-Mycaminosyltylactone" ] }, { "compound_id": "C12002", "inchi": "InChI=1S/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30?,31?/m1/s1", "name": "5-O-beta-D-Mycaminosyltylonolide", "names": [ "5-O-beta-D-Mycaminosyltylonolide" ] }, { "compound_id": "C12003", "inchi": "InChI=1S/C37H61NO14/c1-9-27-24(17-48-36-34(47)33(46)31(44)22(6)49-36)14-18(2)10-11-25(40)19(3)15-23(12-13-39)35(20(4)26(41)16-28(42)51-27)52-37-32(45)29(38(7)8)30(43)21(5)50-37/h10-11,13-14,19-24,26-27,29-37,41,43-47H,9,12,15-17H2,1-8H3/b11-10+,18-14+/t19-,20+,21-,22-,23+,24-,26-,27-,29+,30-,31-,32-,33-,34-,35?,36-,37?/m1/s1", "name": "Demethyllactenocin", "names": [ "Demethyllactenocin" ] }, { "compound_id": "C12006", "inchi": "InChI=1S/C42H67N5O21S/c1-21(2)12-10-8-6-7-9-11-13-23(63-28(51)17-22(3)16-27(49)50)18-29(52)64-25-20-45(4)31(38(56)46(5)30(25)40(57)58)35(67-41-37(68-69(60,61)62)32(53)24(19-43)65-41)36-33(54)34(55)39(66-36)47-15-14-26(48)44-42(47)59/h14-15,21-25,30-37,39,41,53-55H,6-13,16-20,43H2,1-5H3,(H,49,50)(H,57,58)(H,44,48,59)(H,60,61,62)/t22?,23?,24-,25?,30?,31+,32-,33+,34-,35-,36+,37-,39-,41+/m1/s1", "name": "Liposidomycin B", "names": [ "Liposidomycin B" ] }, { "compound_id": "C12007", "inchi": "InChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-10,12,14-15,19-20,26-29,31,35,47-49H,11,13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19-/t20?,26?,27?,28?,29-,31?,35-/m1/s1", "name": "Mureidomycin A", "names": [ "MRD A", "Mureidomycin A" ] }, { "compound_id": "C12008", "inchi": "InChI=1S/C119H154ClN21O40/c1-54(2)17-11-9-14-22-82(153)127-77(50-81(123)152)107(166)141-93-99(101(124)160)180-117(176)92(66-33-44-78(151)72(120)49-66)140-102(161)56(5)126-105(164)75(47-55(3)4)128-83(154)51-125-108(167)87(61-23-34-67(147)35-24-61)136-111(170)86(59(8)146)134-113(172)89(65-31-42-71(43-32-65)177-119-100(97(158)95(156)80(53-143)179-119)181-118-98(159)96(157)94(155)79(52-142)178-118)135-104(163)73(20-15-45-121)129-106(165)76(48-60-18-12-10-13-19-60)131-109(168)84(57(6)144)133-114(173)90(63-27-38-69(149)39-28-63)138-115(174)91(64-29-40-70(150)41-30-64)137-110(169)85(58(7)145)132-103(162)74(21-16-46-122)130-112(171)88(139-116(93)175)62-25-36-68(148)37-26-62/h9-14,18-19,22-44,49,54-59,73-77,79-80,84-100,118-119,142-151,155-159H,15-17,20-21,45-48,50-53,121-122H2,1-8H3,(H2,123,152)(H2,124,160)(H,125,167)(H,126,164)(H,127,153)(H,128,154)(H,129,165)(H,130,171)(H,131,168)(H,132,162)(H,133,173)(H,134,172)(H,135,163)(H,136,170)(H,137,169)(H,138,174)(H,139,175)(H,140,161)(H,141,166)/b11-9+,22-14-/t56-,57+,58-,59-,73-,74-,75+,76+,77+,79-,80-,84+,85-,86-,87+,88-,89+,90-,91+,92+,93+,94-,95-,96+,97+,98+,99+,100?,118?,119+/m1/s1", "name": "Ramoplanin A2", "names": [ "Ramoplanin A2" ] }, { "compound_id": "C12009", "inchi": "InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33+,36-,37-,38?,40?,42+,43-/m1/s1", "name": "Telithromycin", "names": [ "HMR-3647", "HMR3647", "RU-66647", "RU66647", "Telithromycin" ] }, { "compound_id": "C12011", "inchi": "InChI=1S/C27H35N5O8/c1-30(2)10-16(33)29-14-9-15(31(3)4)12-7-11-8-13-20(32(5)6)23(36)19(26(28)39)25(38)27(13,40)24(37)17(11)22(35)18(12)21(14)34/h9,11,13,20,34,36-37,40H,7-8,10H2,1-6H3,(H2,28,39)(H,29,33)/t11-,13-,20-,27-/m0/s1", "name": "DMG-MINO", "names": [ "9-(N,N-Dimethylglycylamido)minocycline", "DMG-MINO" ] }, { "compound_id": "C12012", "inchi": "InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1", "name": "Tigecycline", "names": [ "GAR 936", "Tigecycline", "WAY-GAR-936" ] }, { "compound_id": "C12013", "inchi": "InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37?,43+,44+,45+,46+,47+,48+,49+,50-,60+,61?/m1/s1", "name": "Daptomycin", "names": [ "Daptomycin" ] }, { "compound_id": "C12014", "inchi": "InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/t27-,28-,38+,39-,46+,48?,49?,51+,52+,53?,54+,55-,56+,57+,58-,59?,61?,62-,63-,71-,72-,73-/m0/s1", "name": "Chloroeremomycin", "names": [ "Chloroeremomycin" ] }, { "compound_id": "C12016", "inchi": "InChI=1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)/t34-,43-,44+,45-,46-,47+,48+,49-/m1/s1", "name": "A47934", "names": [ "A47934" ] }, { "compound_id": "C12017", "inchi": "InChI=1S/C21H23N3O7S2/c1-8-14-13(9(2)25)18(27)24(14)15(20(30)31)16(8)33-21-23-12(7-32-21)17(26)22-11-5-3-4-10(6-11)19(28)29/h3-6,8-9,12-14,21,23,25H,7H2,1-2H3,(H,22,26)(H,28,29)(H,30,31)", "name": "MK826", "names": [ "MK826" ] }, { "compound_id": "C12018", "inchi": "InChI=1S/C20H20N4O5S2/c1-9-15-14(10(2)25)18(27)24(15)16(19(28)29)17(9)31-20-22-12(8-30-20)11-3-5-23(6-4-11)7-13(21)26/h3-6,8-10,14-15,25H,7H2,1-2H3,(H2-,21,26,28,29)/p+1/t9-,10-,14-,15-/m1/s1", "name": "SM-17466", "names": [ "SM-17466" ] }, { "compound_id": "C12019", "inchi": "InChI=1S/C21H19NO4/c1-12(23)18-17-11-16(19(21(25)26)22(17)20(18)24)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,17-18,23H,11H2,1H3,(H,25,26)", "name": "2-(Biaryl)carbapenems", "names": [ "2-(Biaryl)carbapenems" ] }, { "compound_id": "C12020", "inchi": "InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25?,26+,27-,31+,32-,35-,36-,37?,39?,41+,42-/m1/s1", "name": "Cethromycin", "names": [ "A-195773", "ABT-773", "Abbott-195773", "Cethromycin" ] }, { "compound_id": "C12021", "inchi": "InChI=1S/C3H8NO5P/c1-2(4)3(5)9-10(6,7)8/h2H,4H2,1H3,(H2,6,7,8)/t2-/m1/s1", "name": "Alanylphosphate", "names": [ "Alanylphosphate", "D-Alanyl-phosphate" ] }, { "compound_id": "C12022", "inchi": "InChI=1S/C6H15NO7P2/c1-4(6(8)9)3-15(10,5(2)7)14-16(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-,15?/m0/s1", "name": "Phosphophosphinate", "names": [ "Phosphophosphinate" ] }, { "compound_id": "C12023", "inchi": "InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(27-20)18-24-25(29-2)19-23(28-24)22-14-12-17-26-22/h12,14-19,26-27H,3-11,13H2,1-2H3/b24-18+", "name": "Undecylprodigiosin", "names": [ "2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole", "Undecylprodigiosin" ] }, { "compound_id": "C12024", "inchi": "InChI=1S/C67H80N14O26/c1-4-9-44-55(107-44)66(104)77-43(27-82)61(99)80-51-29(3)106-67(105)42(20-32-25-70-37-13-8-6-11-35(32)37)76-62(100)50(28(2)18-46(85)86)79-65(103)53(54(93)56(68)94)78-45(84)26-71-57(95)39(21-47(87)88)75-64(102)52(30-14-16-33(83)17-15-30)81-60(98)41(23-49(91)92)73-59(97)40(22-48(89)90)72-58(96)38(74-63(51)101)19-31-24-69-36-12-7-5-10-34(31)36/h5-8,10-17,24-25,28-29,38-44,50-55,69-70,82-83,93H,4,9,18-23,26-27H2,1-3H3,(H2,68,94)(H,71,95)(H,72,96)(H,73,97)(H,74,101)(H,75,102)(H,76,100)(H,77,104)(H,78,84)(H,79,103)(H,80,99)(H,81,98)(H,85,86)(H,87,88)(H,89,90)(H,91,92)/t28-,29?,38+,39-,40-,41-,42-,43-,44?,50-,51-,52+,53+,54-,55?/m0/s1", "name": "Calcium-dependent antibiotic", "names": [ "CDA", "Calcium-dependent antibiotic" ] }, { "compound_id": "C12025", "inchi": "InChI=1S/C9H18N2O5/c10-5(7(12)4-8(13)14)2-1-3-6(11)9(15)16/h5-7,12H,1-4,10-11H2,(H,13,14)(H,15,16)", "name": "2,6-Diamino-7-hydroxy-azelaic acid", "names": [ "2,6-Diamino-7-hydroxy-azelaic acid" ] }, { "compound_id": "C12026", "inchi": "InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1", "name": "3,5-Dihydroxy-phenylglycine", "names": [ "3,5-Dihydroxy-phenylglycine", "L-3,5-Dihydroxyphenylglycine" ] }, { "compound_id": "C12027", "inchi": "InChI=1S/C10H17NO4/c11-7(10(13)14)4-2-1-3-5-8(12)9-6-15-9/h7,9H,1-6,11H2,(H,13,14)/t7-,9?/m0/s1", "name": "2-Amino-9,10-epoxy-8-oxodecanoic acid", "names": [ "2-Amino-9,10-epoxy-8-oxodecanoic acid" ] }, { "compound_id": "C12029", "inchi": "InChI=1S/C9H17NO3/c1-3-4-5-6(2)8(11)7(10)9(12)13/h3-4,6-8,11H,5,10H2,1-2H3,(H,12,13)/b4-3+/t6-,7+,8-/m1/s1", "name": "(E)-2-Butenyl-4-methyl-threonine", "names": [ "(E)-2-Butenyl-4-methyl-threonine", "2-Butenyl-4-methylthreonine" ] }, { "compound_id": "C12030", "inchi": null, "name": "Mycosubtilin", "names": [ "Mycosubtilin" ] }, { "compound_id": "C12032", "inchi": "InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1", "name": "Clorobiocin", "names": [ "Chlorobiocin", "Clorobiocin" ] }, { "compound_id": "C12033", "inchi": "InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1", "name": "p-Aminophenylalanine", "names": [ "p-Aminophenylalanine" ] }, { "compound_id": "C12034", "inchi": "InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/t36-,37-,51+,52-,59+,61?,62?,64+,65+,66?,67+,68-,69+,70+,71-,72?,74?,75-,76-,84-,85-,86-/m0/s1", "name": "Chlorobiphenyl-chloroeremomycin", "names": [ "Chlorobiphenyl-chloroeremomycin", "LY333328", "Oritavancin" ] }, { "compound_id": "C12035", "inchi": "InChI=1S/C79H84Cl3N9O24/c1-32(2)20-47(84-5)71(102)90-62-64(97)38-13-18-51(45(81)22-38)111-53-24-40-25-54(68(53)115-78-69(67(100)66(99)55(31-92)113-78)114-57-29-79(4,70(101)33(3)110-57)85-30-34-6-8-35(9-7-34)36-10-15-41(80)16-11-36)112-52-19-14-39(23-46(52)82)65(98)63-76(107)89-61(77(108)109)44-26-42(93)27-50(95)58(44)43-21-37(12-17-49(43)94)59(73(104)91-63)88-74(105)60(40)87-72(103)48(28-56(83)96)86-75(62)106/h6-19,21-27,32-33,47-48,55,57,59-67,69-70,78,84-85,92-95,97-101H,20,28-31H2,1-5H3,(H2,83,96)(H,86,106)(H,87,103)(H,88,105)(H,89,107)(H,90,102)(H,91,104)(H,108,109)/t33-,47+,48-,55+,57?,59+,60+,61?,62+,63-,64+,65+,66+,67-,69?,70+,78-,79-/m0/s1", "name": "Chlorobiphenyl-vancomycin", "names": [ "Chlorobiphenyl-vancomycin" ] }, { "compound_id": "C12036", "inchi": "InChI=1S/C72H71Cl3N8O23/c1-28-64(93)72(2,78-26-29-3-5-30(6-4-29)31-7-12-36(73)13-8-31)25-51(101-28)105-63-61(92)60(91)49(27-84)104-71(63)106-62-47-20-35-21-48(62)103-46-16-11-34(19-41(46)75)59(90)57-69(98)82-56(70(99)100)39-22-37(85)23-44(87)52(39)38-17-32(9-14-43(38)86)54(67(96)83-57)81-68(97)55(35)80-65(94)42(24-50(76)88)79-66(95)53(77)58(89)33-10-15-45(102-47)40(74)18-33/h3-23,28,42,49,51,53-61,63-64,71,78,84-87,89-93H,24-27,77H2,1-2H3,(H2,76,88)(H,79,95)(H,80,94)(H,81,97)(H,82,98)(H,83,96)(H,99,100)/t28-,42-,49+,51?,53+,54+,55+,56?,57-,58+,59+,60+,61-,63?,64+,71-,72-/m0/s1", "name": "Chlorobiphenyl-desleucyl-vancomycin", "names": [ "Chlorobiphenyl-desleucyl-vancomycin" ] }, { "compound_id": "C12037", "inchi": "InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13?/m1/s1", "name": "Pyochelin", "names": [ "Pyochelin" ] }, { "compound_id": "C12038", "inchi": "InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)/t12-,13+,15+,17?,21+/m0/s1", "name": "Yersiniabactin", "names": [ "Yersiniabactin" ] }, { "compound_id": "C12039", "inchi": "InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1", "name": "Epothilone D", "names": [ "Desoxyepothilone b", "Epothilone D" ] }, { "compound_id": "C12040", "inchi": "InChI=1S/C26H14N8O7S/c1-9-17-24-30-14(6-39-24)21-28-12(4-37-21)19-27-11(3-35-19)20-29-13(5-36-20)22-31-15(7-38-22)26-32-16(8-42-26)23-33-18(10(2)40-23)25(34-17)41-9/h3-7,16H,8H2,1-2H3", "name": "Telomestatin", "names": [ "Telomestatin" ] }, { "compound_id": "C12041", "inchi": "InChI=1S/C66H87N13O13/c1-38(2)32-47-59(85)77-52(36-42-20-12-7-13-21-42)66(92)79-31-15-23-53(79)64(90)76-49(34-41-18-10-6-11-19-41)61(87)74-48(33-40-16-8-5-9-17-40)60(86)75-51(37-55(69)82)62(88)70-46(28-29-54(68)81)58(84)73-50(35-43-24-26-44(80)27-25-43)63(89)78-56(39(3)4)65(91)71-45(22-14-30-67)57(83)72-47/h5-13,16-21,24-27,38-39,45-53,56,80H,14-15,22-23,28-37,67H2,1-4H3,(H2,68,81)(H2,69,82)(H,70,88)(H,71,91)(H,72,83)(H,73,84)(H,74,87)(H,75,86)(H,76,90)(H,77,85)(H,78,89)/t45-,46-,47-,48+,49-,50-,51-,52+,53-,56-/m0/s1", "name": "Tyrocidine", "names": [ "Tyrocidine" ] }, { "compound_id": "C12042", "inchi": "InChI=1S/C72H110N12O20/c1-6-8-9-10-11-12-13-14-15-16-17-20-48(87)41-58(89)76-51(32-35-59(90)91)65(96)77-50(21-18-37-73)64(95)80-55-40-46-25-29-49(30-26-46)104-72(103)61(42(3)7-2)82-67(98)54(39-45-23-27-47(86)28-24-45)81-66(97)52(31-34-57(74)88)78-69(100)56-22-19-38-84(56)71(102)43(4)75-63(94)53(33-36-60(92)93)79-70(101)62(44(5)85)83-68(55)99/h23-30,42-44,48,50-56,61-62,85-87H,6-22,31-41,73H2,1-5H3,(H2,74,88)(H,75,94)(H,76,89)(H,77,96)(H,78,100)(H,79,101)(H,80,95)(H,81,97)(H,82,98)(H,83,99)(H,90,91)(H,92,93)/t42-,43-,44+,48?,50-,51+,52+,53+,54+,55-,56+,61+,62+/m1/s1", "name": "Fengycin", "names": [ "Fengycin" ] }, { "compound_id": "C12043", "inchi": "InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1", "name": "Surfactin", "names": [ "Surfactin" ] }, { "compound_id": "C12044", "inchi": "InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1", "name": "Rifamycin", "names": [ "Rifamycin", "Rifamycin SV" ] }, { "compound_id": "C12045", "inchi": "InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1", "name": "Ansamitocin P3", "names": [ "2'-De(acetylmethylamino)-2'-methylmaytansine", "Ansamitocin P3", "Ansamitosin P3", "Antibiotic C15003P3", "C15003P3", "Maytansinol isobutyrate" ] }, { "compound_id": "C12046", "inchi": "InChI=1S/C88H97Cl2N9O33/c1-33(2)8-6-4-5-7-9-60(108)94-68-74(113)71(110)58(31-101)129-87(68)132-78-55-25-40-26-56(78)126-52-17-13-38(23-47(52)90)77(131-86-67(92-34(3)103)73(112)70(109)57(30-100)128-86)69-84(121)98-66(85(122)123)45-28-42(105)29-54(127-88-76(115)75(114)72(111)59(32-102)130-88)61(45)44-22-37(12-14-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-20-41(104)27-43(21-39)124-53-24-36(11-15-50(53)107)62(91)80(117)93-48(79(116)95-64)19-35-10-16-51(125-55)46(89)18-35/h10-18,20-29,33,48,57-59,62-77,86-88,100-102,104-107,109-115H,4-9,19,30-32,91H2,1-3H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66?,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77?,86?,87+,88+/m1/s1", "name": "Teicoplanin A2-2", "names": [ "Teichomycin A2 factor 2", "Teicoplanin A2-2" ] }, { "compound_id": "C12047", "inchi": "InChI=1/C47H78O14.Na/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42;/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52);/b24-17+;/t25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+;/m1./s1/f/h51H;", "name": "Nanchangmycin", "names": [ "Nanchangmycin" ] }, { "compound_id": "C12048", "inchi": "InChI=1S/C25H16O12/c1-6-3-7-4-8-19(17(29)11(7)24(32)34-6)36-25(23-20(8)35-23)22(31)14-16(28)12-9(26)5-10(33-2)15(27)13(12)18(30)21(14)37-25/h3-5,20,22-23,28-31H,1-2H3", "name": "Griseorhodin A", "names": [ "Griseorhodin A" ] }, { "compound_id": "C12049", "inchi": "InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1", "name": "Neocarzinostatin chromophore", "names": [ "Neocarzinostatin chromophore" ] }, { "compound_id": "C12050", "inchi": "InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38?,39-,45+,46-,47-,48?,49-,50+,51+,52-,53+,55?,56?,57-,58+,59-,60-,63?,64+,65?,66?,67+,68-,69+,70-/m1/s1", "name": "Everninomycin", "names": [ "Everninomicin", "Everninomycin" ] }, { "compound_id": "C12051", "inchi": "InChI=1S/C48H49N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-22,33-35,62-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b24-8-,25-9-/t20-,21+,22+,33+,34-,35-/m0/s1", "name": "Micrococcin", "names": [ "BRN1070340", "Micrococcin", "Micrococcin P1" ] }, { "compound_id": "C12052", "inchi": "InChI=1S/C49H51N13O8S6/c1-9-25(38(65)50-13-22(7)63)52-39(66)29-16-73-47(57-29)33-19-74-46(59-33)27-12-11-24-37(51-27)28-14-75-48(54-28)34(20(3)4)60-41(68)32-18-76-49(58-32)35(21(5)6)61-40(67)31-17-72-45(56-31)26(10-2)53-43(70)36(23(8)64)62-42(69)30-15-71-44(24)55-30/h9-12,14-23,34-36,63-64H,13H2,1-8H3,(H,50,65)(H,52,66)(H,53,70)(H,60,68)(H,61,67)(H,62,69)/b25-9-,26-10-/t22-,23+,34-,35+,36-/m0/s1", "name": "Thiocillin", "names": [ "Thiocillin" ] }, { "compound_id": "C12053", "inchi": "InChI=1S/C51H43N13O12S6/c1-5-23-46-60-28(14-79-46)41(70)56-25-10-33(67)50(74)76-11-21-7-6-8-24-34(21)18(2)35(54-24)51(75)82-17-31(57-42(71)29-15-80-47(25)61-29)48-58-26(12-78-48)37-22(45-59-30(13-77-45)43(72)64-36(20(4)65)44(73)55-23)9-32(66)38(63-37)49-62-27(16-81-49)40(69)53-19(3)39(52)68/h5-9,12-16,20,25,31,33,36,54,65-67H,3,10-11,17H2,1-2,4H3,(H2,52,68)(H,53,69)(H,55,73)(H,56,70)(H,57,71)(H,64,72)/b23-5-/t20-,25-,31?,33?,36+/m1/s1", "name": "Nosiheptide", "names": [ "Nosiheptide" ] }, { "compound_id": "C12054", "inchi": "InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15-/t26?,30?,31?,32?,33-,34?,35?,39-,45?,47+,48+,49+,51+,52?,53+,71?,72-/m1/s1", "name": "Thiostrepton", "names": [ "Thiostrepton" ] }, { "compound_id": "C12055", "inchi": "InChI=1S/C54H52N16O16S2/c1-12-29-50-68-36(26(9)85-50)47(81)59-23(6)42(76)60-24(7)49-64-32(16-84-49)38-28(13-14-30(61-38)43(77)58-22(5)41(75)57-21(4)40(74)56-20(3)39(55)73)53-65-34(17-87-53)45(79)67-35(25(8)72)46(80)63-31(15-19(2)71)51-69-37(27(10)86-51)48(82)70-52(83-11)54-66-33(18-88-54)44(78)62-29/h12-19,25,35,52,71-72H,3-7H2,1-2,8-11H3,(H2,55,73)(H,56,74)(H,57,75)(H,58,77)(H,59,81)(H,60,76)(H,62,78)(H,63,80)(H,67,79)(H,70,82)/b29-12-,31-15-/t19?,25-,35+,52-/m1/s1", "name": "Sulfamycin B", "names": [ "Sulfamycin B" ] }, { "compound_id": "C12056", "inchi": "InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1", "name": "Actinonin", "names": [ "Actinonin" ] }, { "compound_id": "C12057", "inchi": "InChI=1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13?,14-,15-,16+,20-/m0/s1", "name": "Cyclothialidine", "names": [ "Cyclothialidine" ] }, { "compound_id": "C12058", "inchi": "InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1", "name": "Cerulenin", "names": [ "Cerulenin" ] }, { "compound_id": "C12059", "inchi": "InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H", "name": "Triclosan", "names": [ "Triclosan" ] }, { "compound_id": "C12062", "inchi": "InChI=1S/C25H30N4O2/c1-29(25(31)22(27)16-18-8-3-2-4-9-18)23(12-7-15-26)24(30)28-21-14-13-19-10-5-6-11-20(19)17-21/h2-6,8-11,13-14,17,22-23H,7,12,15-16,26-27H2,1H3,(H,28,30)/t22-,23-/m0/s1", "name": "Naphthyl dipeptide", "names": [ "Naphthyl dipeptide" ] }, { "compound_id": "C12063", "inchi": "InChI=1S/C30H46N4O16/c1-11(2)5-4-6-16(38)32-19-23(43)20(40)14(47-29(19)50-28-18(31-12(3)36)22(42)21(41)15(10-35)48-28)9-13(37)26-24(44)25(45)27(49-26)34-8-7-17(39)33-30(34)46/h4,6-8,11,13-15,18-29,35,37,40-45H,5,9-10H2,1-3H3,(H,31,36)(H,32,38)(H,33,39,46)/b6-4+/t13-,14+,15+,18+,19+,20-,21+,22+,23+,24-,25+,26+,27+,28?,29?/m0/s1", "name": "Tunicamycin", "names": [ "Tunicamycin" ] }, { "compound_id": "C12064", "inchi": "InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3", "name": "Resorcinol monoacetate", "names": [ "Resorcinol monoacetate" ] }, { "compound_id": "C12065", "inchi": "InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1", "name": "Tiamulin", "names": [ "Tiamulin" ] }, { "compound_id": "C12066", "inchi": "InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19-,20-,22+,24?,25?,26-,29+,30-,31-/m0/s1", "name": "Valnemulin", "names": [ "Valnemulin" ] }, { "compound_id": "C12067", "inchi": "InChI=1S/C8H17NO5/c1-9(2)5-7(12)6(11)4(3-10)14-8(5)13/h4-8,10-13H,3H2,1-2H3/t4-,5-,6-,7-,8?/m1/s1", "name": "2-Deoxy-2-dimethylamino-alpha-D-Glucose", "names": [ "2-Deoxy-2-dimethylamino-alpha-D-Glucose" ] }, { "compound_id": "C12068", "inchi": "InChI=1S/C56H55N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,20-24,29-30,35,39,43-44,74H,9,12,15-19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)", "name": "GE2270A", "names": [ "GE2270A" ] }, { "compound_id": "C12069", "inchi": "InChI=1S/C3H4O3/c4-2-1-3(5)6/h1-2,4H,(H,5,6)/b2-1+", "name": "3-Hydroxypropenoate", "names": [ "3-Hydroxypropenoate" ] }, { "compound_id": "C12070", "inchi": "InChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26-,31-21+/t32?,33?,34-,35+,37?,38?,39?,40?,43?,44-,45-,46+,47+/m0/s1", "name": "Pulvomycin", "names": [ "Pulvomycin" ] }, { "compound_id": "C12072", "inchi": "InChI=1S/C20H22N2O2/c1-3-11-9-22-18-8-15-13-5-4-12(24-2)6-17(13)21-20(15)19(22)7-14(11)16(18)10-23/h3-6,10,14,16,18-19,21H,7-9H2,1-2H3/b11-3-/t14?,16-,18-,19-/m0/s1", "name": "Gardneral", "names": [ "Gardneral" ] }, { "compound_id": "C12073", "inchi": "InChI=1S/C22H24N2O3/c1-4-12-10-24-17-8-14(12)19-18(24)9-22(21(19)27-11(2)25)15-6-5-13(26-3)7-16(15)23-20(17)22/h4-7,14,17-19,21H,8-10H2,1-3H3/b12-4-/t14?,17-,18-,19-,21+,22+/m0/s1", "name": "11-Methoxy-vinorine", "names": [ "11-Methoxy-vinorine" ] }, { "compound_id": "C12075", "inchi": "InChI=1S/C20H24N2O/c1-3-11-10-22-15-8-12(11)17-16(22)9-20(19(17)23)13-6-4-5-7-14(13)21(2)18(15)20/h3-7,12,15-19,23H,8-10H2,1-2H3/b11-3-/t12?,15-,16-,17?,18-,19+,20+/m0/s1", "name": "Tetraphyllicine", "names": [ "NSC72114", "Tetraphyllicine" ] }, { "compound_id": "C12076", "inchi": "InChI=1S/C15H20O7/c1-7-3-8(16)15(20)13(7)4-9(22-10(17)5-13)12(2,19)14(15)6-21-11(14)18/h7-9,16,19-20H,3-6H2,1-2H3/t7-,8-,9?,12+,13-,14+,15-/m1/s1", "name": "Deoxyanisatin", "names": [ "Deoxyanisatin" ] }, { "compound_id": "C12077", "inchi": "InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1", "name": "Palustric acid", "names": [ "8,13-Abietadien-18-oic acid", "NSC 148945", "Palustric acid" ] }, { "compound_id": "C12078", "inchi": "InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1", "name": "Dehydroabietic acid", "names": [ "(-)-Dehydroabietic acid", "13-Isopropylpodocarpa-8,11,13-trien-15-oic acid", "Abieta-8,11,13-trien-18-oic acid", "Dehydroabietate", "Dehydroabietic acid" ] }, { "compound_id": "C12079", "inchi": "InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12+/m1/s1", "name": "alpha-Arbutin", "names": [ "alpha-Arbutin" ] }, { "compound_id": "C12080", "inchi": "InChI=1S/C22H16O6/c1-7-4-9(23)15-18-13(7)10(24)5-8-14(18)19-16(20(15)27)11(25)6-12(26)17(19)21(28)22(8,2)3/h4-6,23-26H,1-3H3", "name": "Resistomycin", "names": [ "Resistomycin" ] }, { "compound_id": "C12081", "inchi": "InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36?,37?,39?,40?,41+,43+,44-,45+,46+,47+/m0/s1", "name": "Soyasaponin II", "names": [ "Soyasaponin II" ] }, { "compound_id": "C12082", "inchi": "InChI=1S/C18H30O16/c1-3-5(20)7(22)11(26)17(30-3)34-14-8(23)6(21)4(2-19)31-18(14)33-13-10(25)9(24)12(15(27)28)32-16(13)29/h3-14,16-26,29H,2H2,1H3,(H,27,28)/t3-,4+,5-,6-,7+,8-,9-,10-,11+,12-,13?,14?,16+,17?,18?/m0/s1", "name": "alpha-L-Rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucuronopyranoside", "names": [ "alpha-L-Rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucuronopyranoside", "beta-Fabatriose" ] }, { "compound_id": "C12083", "inchi": "InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,11-16H,2,5,8-10,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,12-11+,14-13+,16-15-", "name": "(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid", "names": [ "(5Z,7E,9E,14Z,17Z)-Eicosapentaenoate", "(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid" ] }, { "compound_id": "C12085", "inchi": "InChI=1S/C13H10O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-8,14-15H/b6-3+", "name": "Bis-noryangonin", "names": [ "Bis-noryangonin" ] }, { "compound_id": "C12087", "inchi": "InChI=1S/C15H12O5/c16-11-4-1-10(2-5-11)3-6-12(17)7-14-8-13(18)9-15(19)20-14/h1-6,8-9,16,18H,7H2/b6-3+", "name": "p-Coumaroyltriacetic acid lactone", "names": [ "p-Coumaroyltriacetic acid lactone" ] }, { "compound_id": "C12088", "inchi": "InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+", "name": "4-Hydroxycinnamoylmethane", "names": [ "4-(p-Hydroxyphenyl)-3-buten-2-one", "4-Hydroxycinnamoylmethane", "p-Hydroxybenzalacetone" ] }, { "compound_id": "C12089", "inchi": "InChI=1S/C15H17NO4S/c1-11(17)16-8-9-21-15(20)10-14(19)7-4-12-2-5-13(18)6-3-12/h2-7,18H,8-10H2,1H3,(H,16,17)/b7-4+", "name": "NAC-Diketide", "names": [ "NAC-Diketide" ] }, { "compound_id": "C12090", "inchi": "InChI=1S/C14H12O4/c1-9-13(16)8-12(18-14(9)17)7-4-10-2-5-11(15)6-3-10/h2-8,15-16H,1H3/b7-4+", "name": "Methylstyrylpyron", "names": [ "Methylstyrylpyron" ] }, { "compound_id": "C12091", "inchi": "InChI=1S/C42H66O18/c1-18-28(45)35(53-4)36(60-38-34(51)32(49)30(47)26(59-38)17-55-37-33(50)31(48)29(46)25(15-43)58-37)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25+,26+,28-,29+,30+,31-,32-,33+,34+,35+,36-,37+,38-,39-,40-,41+,42-/m0/s1", "name": "Cerberoside", "names": [ "Cerberoside" ] }, { "compound_id": "C12092", "inchi": "InChI=1S/C29H43N8O17P3S/c1-29(2,23(40)26(41)33-9-8-19(38)32-10-11-58-28(42)16-6-4-5-7-17(16)31-3)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(30)34-14-35-25(20)37/h4-7,14-15,18,21-23,27,31,39-40H,8-13H2,1-3H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,30,34,35)(H2,43,44,45)/t18-,21-,22-,23?,27-/m1/s1", "name": "N-Methylanthraniloyl-CoA", "names": [ "N-Methylanthraniloyl-CoA" ] }, { "compound_id": "C12093", "inchi": "InChI=1S/C14H11NO3/c1-15-10-5-3-2-4-9(10)14(18)13-11(15)6-8(16)7-12(13)17/h2-7,16-17H,1H3", "name": "1,3-Dihydroxy-N-methylacridone", "names": [ "1,3-Dihydroxy-N-methylacridone" ] }, { "compound_id": "C12095", "inchi": "InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1", "name": "Cyanidin 3-O-(6-O-p-coumaroyl)glucoside", "names": [ "Cyanidin 3-O-(6-O-p-coumaroyl)glucoside" ] }, { "compound_id": "C12096", "inchi": "InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", "name": "Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside", "names": [ "Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside", "Shisonin" ] }, { "compound_id": "C12098", "inchi": "InChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11+,23-14-/t24-,25+,29-,31-,33-/m0/s1", "name": "Ansatrienin A", "names": [ "Ansatrienin A" ] }, { "compound_id": "C12099", "inchi": "InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t29-,30-,31+/m1/s1", "name": "Asukamycin", "names": [ "Asukamycin" ] }, { "compound_id": "C12100", "inchi": "InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)", "name": "omega-Cyclohexylundecanoic acid", "names": [ "Cyclohexaneundecanoic acid", "omega-Cyclohexylundecanoic acid" ] }, { "compound_id": "C12101", "inchi": "InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9)", "name": "1-Cyclohexenecarboxylic acid", "names": [ "1-Cyclohexene-1-carboxylic acid", "1-Cyclohexenecarboxylic acid", "Cyclohex-1-enecarboxylic acid" ] }, { "compound_id": "C12102", "inchi": "InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1", "name": "FK520", "names": [ "Ascomycin", "FK520" ] }, { "compound_id": "C12103", "inchi": "InChI=1S/C18H34O2/c19-18(20)16-12-6-4-2-1-3-5-9-13-17-14-10-7-8-11-15-17/h17H,1-16H2,(H,19,20)", "name": "omega-Cycloheptylundecanoic acid", "names": [ "omega-Cycloheptylundecanoic acid" ] }, { "compound_id": "C12104", "inchi": "InChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)", "name": "Cycloheptanecarboxylic acid", "names": [ "Cycloheptanecarboxylic acid", "Cycloheptanoic acid" ] }, { "compound_id": "C12105", "inchi": "InChI=1S/C8H4O3S2/c9-4-2-1-3-5(12)7-6(4)8(10)11-13-7/h1-3,9H", "name": "Thiotropocin", "names": [ "Thiotropocin" ] }, { "compound_id": "C12106", "inchi": "InChI=1S/C7H14NO9P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,10-11H,1-2,8H2,(H,12,13)(H2,14,15,16)", "name": "AminoDAHP", "names": [ "AminoDAHP" ] }, { "compound_id": "C12107", "inchi": "InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11)", "name": "AHBA", "names": [ "3-Ahba", "3-Amino-5-hydroxybenzoic acid", "AHBA" ] }, { "compound_id": "C12108", "inchi": "InChI=1S/C7H9NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4,6,10H,1,8H2,(H,11,12)/t4-,6+/m1/s1", "name": "AminoDHS", "names": [ "5-Deoxy-5-amino-3-dehydroshikimic acid", "AminoDHS" ] }, { "compound_id": "C12109", "inchi": "InChI=1S/C7H11NO5/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,10,13H,1-2,8H2,(H,11,12)/t3-,5+,7-/m1/s1", "name": "AminoDHQ", "names": [ "5-Deoxy-5-amino-3-dehydroquinic acid", "AminoDHQ" ] }, { "compound_id": "C12110", "inchi": "InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)", "name": "Gabaculine", "names": [ "3-Amino-2,3-dihydrobenzoic acid", "Gabaculine" ] }, { "compound_id": "C12111", "inchi": "InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31+/m1/s1", "name": "Manumycin A", "names": [ "Manumycin", "Manumycin A" ] }, { "compound_id": "C12112", "inchi": "InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8?,9?,10-,11-,12+,13+,14-,15+,16+,17-,18-,19?,20?/m1/s1", "name": "Validamycin A", "names": [ "Validacin", "Validamycin", "Validamycin A", "Valimon" ] }, { "compound_id": "C12113", "inchi": "InChI=1S/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5+,6-,7-/m0/s1", "name": "Valiolone", "names": [ "Valiolone" ] }, { "compound_id": "C12114", "inchi": "InChI=1S/C7H6N2O3/c8-7(11)4-1-2-6(10)5(3-4)9-12/h1-3,10H,(H2,8,11)", "name": "4-Hydroxy-3-nitrosobenzamide", "names": [ "4-Hydroxy-3-nitrosobenzamide" ] }, { "compound_id": "C12115", "inchi": "InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)", "name": "3-Amino-4-hydroxybenzoic acid", "names": [ "3,4-AHBA", "3-Amino-4-hydroxybenzoic acid" ] }, { "compound_id": "C12116", "inchi": "InChI=1S/C30H22N4O5/c1-13-15-6-3-10-20-28(15)34(21-11-5-8-17(29(36)37)25(21)32-20)22-12-18(30(38)39)26-27(23(13)22)33-24-16(14(2)35)7-4-9-19(24)31-26/h3-14,32,35H,1-2H3,(H,36,37)(H,38,39)", "name": "Esmeraldic acid", "names": [ "Esmeraldic acid" ] }, { "compound_id": "C12117", "inchi": "InChI=1S/C15H12N2O3/c1-8(18)9-4-2-6-11-13(9)16-12-7-3-5-10(15(19)20)14(12)17-11/h2-8,18H,1H3,(H,19,20)", "name": "Saphenic acid", "names": [ "Saphenic acid" ] }, { "compound_id": "C12118", "inchi": "InChI=1S/C16H14N2O3/c1-9(19)10-5-3-7-12-14(10)17-13-8-4-6-11(15(13)18-12)16(20)21-2/h3-9,19H,1-2H3", "name": "Saphenic acid methyl ester", "names": [ "Saphenic acid methyl ester" ] }, { "compound_id": "C12119", "inchi": "InChI=1S/C14H8N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6H,(H,17,18)(H,19,20)", "name": "Phenazine-1,6-dicarboxylic acid", "names": [ "Phenazine-1,6-dicarboxylate", "Phenazine-1,6-dicarboxylic acid" ] }, { "compound_id": "C12120", "inchi": "InChI=1S/C15H10N2O3/c1-8(18)9-4-2-6-11-13(9)16-12-7-3-5-10(15(19)20)14(12)17-11/h2-7H,1H3,(H,19,20)", "name": "6-Acetophenazine-1-carboxylic acid", "names": [ "6-Acetophenazine-1-carboxylic acid", "6-Acetylphenazine-1-carboxylic acid" ] }, { "compound_id": "C12121", "inchi": "InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4-6,9-10H,1,8H2,(H,11,12)/t4-,5-,6+/m1/s1", "name": "5-Deoxy-5-aminoshikimic acid", "names": [ "5-Deoxy-5-aminoshikimic acid" ] }, { "compound_id": "C12122", "inchi": "InChI=1S/C15H14O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1,3,5-7,14,16-19H,2,4H2", "name": "Luteoliflavan", "names": [ "Luteoliflavan" ] }, { "compound_id": "C12123", "inchi": "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H", "name": "7,4'-Dihydroxyflavone", "names": [ "7,4'-Dihydroxyflavone" ] }, { "compound_id": "C12124", "inchi": "InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2/t12?,13-/m0/s1", "name": "Apiforol", "names": [ "Apiforol" ] }, { "compound_id": "C12125", "inchi": "InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3", "name": "Isoformononetin", "names": [ "4'-Hydroxy-7-methoxyisoflavone", "Isoformononetin" ] }, { "compound_id": "C12126", "inchi": null, "name": "Dihydroceramide", "names": [ "Dihydroceramide", "N-Acylsphinganine" ] }, { "compound_id": "C12127", "inchi": "InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1", "name": "(+)-Gallocatechin", "names": [ "(+)-Gallocatechin", "Gallocatechol" ] }, { "compound_id": "C12128", "inchi": "InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1", "name": "(-)-Epiafzelechin", "names": [ "(-)-Epiafzelechin", "epi-Afzelechin" ] }, { "compound_id": "C12129", "inchi": "InChI=1S/C64H66O41/c65-18-35-42(76)47(81)56(102-39(73)10-4-22-2-7-27(67)31(71)12-22)64(99-35)105-57-48(82)44(78)37(20-94-40(74)17-41(75)103-55(60(91)92)52(86)58(87)88)101-63(57)98-34-16-25-29(69)14-24(95-61-50(84)45(79)43(77)36(100-61)19-93-38(72)9-3-21-1-6-26(66)30(70)11-21)15-32(25)96-53(34)23-5-8-28(68)33(13-23)97-62-51(85)46(80)49(83)54(104-62)59(89)90/h1-16,35-37,42-52,54-57,61-65,76-86H,17-20H2,(H8-,66,67,68,69,70,71,72,73,87,88,89,90,91,92)/p+1/t35-,36-,37-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52?,54+,55?,56-,57?,61-,62-,63-,64?/m1/s1", "name": "Anemone purple anthocyanin 1", "names": [ "Anemone purple anthocyanin 1" ] }, { "compound_id": "C12130", "inchi": "InChI=1S/C57H60O34/c58-16-33-40(70)45(75)52(91-57-51(44(74)39(69)34(17-59)87-57)89-37(67)8-4-20-2-6-25(61)28(64)10-20)56(86-33)85-32-15-23-26(62)13-22(82-54-47(77)42(72)41(71)35(88-54)18-81-36(66)7-3-19-1-5-24(60)27(63)9-19)14-30(23)83-49(32)21-11-29(65)38(68)31(12-21)84-55-48(78)43(73)46(76)50(90-55)53(79)80/h1-15,33-35,39-48,50-52,54-59,69-78H,16-18H2,(H7-,60,61,62,63,64,65,66,67,68,79,80)/p+1/t33-,34-,35-,39-,40+,41-,42+,43+,44+,45+,46+,47-,48-,50+,51-,52?,54-,55-,56-,57?/m1/s1", "name": "Anemone blue anthocyanin 1", "names": [ "Anemone blue anthocyanin 1" ] }, { "compound_id": "C12131", "inchi": "InChI=1S/C60H62O37/c61-17-34-42(74)47(79)54(95-39(71)8-4-21-2-6-26(63)29(66)10-21)60(92-34)97-55-48(80)44(76)36(19-87-40(72)16-37(68)69)94-59(55)91-33-15-24-27(64)13-23(88-57-50(82)45(77)43(75)35(93-57)18-86-38(70)7-3-20-1-5-25(62)28(65)9-20)14-31(24)89-52(33)22-11-30(67)41(73)32(12-22)90-58-51(83)46(78)49(81)53(96-58)56(84)85/h1-15,34-36,42-51,53-55,57-61,74-83H,16-19H2,(H8-,62,63,64,65,66,67,68,69,70,71,73,84,85)/p+1/t34-,35-,36-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,53+,54-,55?,57-,58-,59-,60?/m1/s1", "name": "Anemone blue anthocyanin 2", "names": [ "Anemone blue anthocyanin 2" ] }, { "compound_id": "C12132", "inchi": "InChI=1S/C64H66O42/c65-17-34-42(77)47(82)56(103-38(73)8-4-21-2-6-26(67)29(70)10-21)64(100-34)106-57-48(83)44(79)36(19-95-39(74)16-40(75)104-55(60(92)93)52(87)58(88)89)102-63(57)99-33-15-24-27(68)13-23(96-61-50(85)45(80)43(78)35(101-61)18-94-37(72)7-3-20-1-5-25(66)28(69)9-20)14-31(24)97-53(33)22-11-30(71)41(76)32(12-22)98-62-51(86)46(81)49(84)54(105-62)59(90)91/h1-15,34-36,42-52,54-57,61-65,77-87H,16-19H2,(H9-,66,67,68,69,70,71,72,73,76,88,89,90,91,92,93)/p+1/t34-,35-,36-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52?,54+,55?,56-,57?,61-,62-,63-,64?/m1/s1", "name": "Anemone blue anthocyanin 3", "names": [ "Anemone blue anthocyanin 3" ] }, { "compound_id": "C12133", "inchi": "InChI=1S/C58H58O36/c59-17-34-42(72)46(76)52(92-38(68)8-4-21-2-6-26(61)29(64)10-21)58(89-34)94-53-47(77)44(74)36(19-85-39(69)16-40(70)93-51(55(82)83)49(79)54(80)81)91-57(53)88-33-15-24-27(62)13-23(14-32(24)87-50(33)22-11-30(65)41(71)31(66)12-22)86-56-48(78)45(75)43(73)35(90-56)18-84-37(67)7-3-20-1-5-25(60)28(63)9-20/h1-15,34-36,42-49,51-53,56-59,72-79H,16-19H2,(H9-,60,61,62,63,64,65,66,67,68,71,80,81,82,83)/p+1/t34-,35-,36-,42-,43-,44+,45+,46+,47+,48-,49?,51?,52-,53?,56-,57-,58?/m1/s1", "name": "Anemone blue anthocyanin 4", "names": [ "Anemone blue anthocyanin 4" ] }, { "compound_id": "C12134", "inchi": "InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H", "name": "2'-Hydroxygenistein", "names": [ "2',4',5,7-Tetrahydroxyisoflavone", "2'-Hydroxygenistein" ] }, { "compound_id": "C12135", "inchi": "InChI=1S/C16H12O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-7,17-19H,1H3", "name": "2'-Hydroxybiochanin A", "names": [ "2'-Hydroxybiochanin A", "Dehydroferreirin" ] }, { "compound_id": "C12136", "inchi": "InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1", "name": "(-)-Epigallocatechin", "names": [ "(-)-Epigallocatechin", "Epigallocatechol" ] }, { "compound_id": "C12137", "inchi": "InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1", "name": "Pelargonidin 3-O-glucoside", "names": [ "Pelargonidin 3-O-beta-D-glucoside", "Pelargonidin 3-O-glucoside", "Pelargonidin 3-glucoside" ] }, { "compound_id": "C12138", "inchi": "InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1", "name": "Delphinidin 3-O-glucoside", "names": [ "Delphinidin 3-O-beta-D-glucoside", "Delphinidin 3-O-glucoside", "Delphinidin 3-glucoside", "Mirtillin" ] }, { "compound_id": "C12139", "inchi": "InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1", "name": "Petunidin 3-O-glucoside", "names": [ "Petunidin 3-O-glucoside", "Petunidin 3-glucoside" ] }, { "compound_id": "C12140", "inchi": "InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1", "name": "Malvidin 3-O-glucoside", "names": [ "Enin", "Malvidin 3-O-glucoside", "Malvidin-3-glucoside" ] }, { "compound_id": "C12141", "inchi": "InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1", "name": "Peonidin 3-O-glucoside", "names": [ "Peonidin 3-O-glucoside", "Peonidin-3-glucoside" ] }, { "compound_id": "C12142", "inchi": "InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1", "name": "Vetispiradiene", "names": [ "(-)-Premnaspirodiene", "(-)-Vetispiradiene", "Vetispiradiene" ] }, { "compound_id": "C12143", "inchi": "InChI=1S/C13H10N2O/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,14H2,(H,15,16)", "name": "2-Aminoacridone", "names": [ "2-Aminoacridone", "AMAC" ] }, { "compound_id": "C12144", "inchi": "InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1", "name": "Phytosphingosine", "names": [ "4-D-Hydroxysphinganine", "Phytosphingosine" ] }, { "compound_id": "C12145", "inchi": null, "name": "Phytoceramide", "names": [ "Ceramide II", "N-Acyl-4-hydroxysphinganine", "Phytoceramide" ] }, { "compound_id": "C12146", "inchi": null, "name": "C26-CoA", "names": [ "C26-CoA" ] }, { "compound_id": "C12147", "inchi": "InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1", "name": "L-Threonine O-3-phosphate", "names": [ "L-Threonine O-3-phosphate", "L-Threonine phosphate" ] }, { "compound_id": "C12148", "inchi": "InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1", "name": "Stigmatellin A", "names": [ "Stigmatellin", "Stigmatellin A" ] }, { "compound_id": "C12149", "inchi": "InChI=1S/C28H38O6/c1-8-17(2)11-9-10-12-23(32-6)20(5)28(33-7)18(3)13-14-24-19(4)27(31)26-22(30)15-21(29)16-25(26)34-24/h8-12,15-16,18,20,23,28-30H,13-14H2,1-7H3/b11-9+,12-10+,17-8+/t18-,20+,23-,28-/m0/s1", "name": "Stigmatellin X", "names": [ "Stigmatellin X" ] }, { "compound_id": "C12150", "inchi": "InChI=1S/C29H40O6/c1-9-18(2)12-10-11-13-23(32-6)21(5)29(34-8)19(3)14-15-24-20(4)28(31)27-25(33-7)16-22(30)17-26(27)35-24/h9-13,16-17,19,21,23,29-30H,14-15H2,1-8H3/b12-10+,13-11+,18-9+/t19-,21+,23-,29-/m0/s1", "name": "Stigmatellin Y", "names": [ "Stigmatellin Y" ] }, { "compound_id": "C12151", "inchi": "InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17+,32-23+/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1", "name": "Mycolactone", "names": [ "Mycolactone" ] }, { "compound_id": "C12152", "inchi": "InChI=1S/C39H63NO14/c1-21(2)37(46)54-36-25(6)50-30(20-39(36,7)47)52-33-24(5)51-38(32(45)31(33)40(8)9)53-34-26(16-17-41)18-22(3)27(42)15-13-11-12-14-23(4)49-29(44)19-28(43)35(34)48-10/h11-13,15,17,21-26,28,30-36,38,43,45,47H,14,16,18-20H2,1-10H3/b12-11+,15-13+/t22-,23-,24-,25+,26+,28-,30?,31-,32-,33-,34?,35+,36+,38?,39-/m1/s1", "name": "Niddamycin", "names": [ "Niddamycin" ] }, { "compound_id": "C12153", "inchi": "InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1", "name": "Epothilone A", "names": [ "Epothilone A" ] }, { "compound_id": "C12154", "inchi": "InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1", "name": "Epothilone B", "names": [ "Epothilone B", "Patupilone" ] }, { "compound_id": "C12155", "inchi": "InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34?,35+,36+,37-,38-,40+,41-,42+,43+,44-,46?,47+/m0/s1", "name": "Nystatin A1", "names": [ "Nystatin A1" ] }, { "compound_id": "C12156", "inchi": "InChI=1S/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/b7-6+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32-,33+,34+,35+,36+,37?,38+,39+,40+,41-,42-,44-,45+,46-,47-,48+,49-,50+,52?,53+/m0/s1", "name": "Nystatin A3", "names": [ "Nystatin A3" ] }, { "compound_id": "C12157", "inchi": "InChI=1S/C25H41NO4/c1-17(2)14-20(5)24(29)21(6)15-18(3)12-13-23(28)11-9-8-10-19(4)25(30)26-22(7)16-27/h8-10,12-15,17,21-24,27-29H,11,16H2,1-7H3,(H,26,30)/b9-8+,13-12+,18-15+,19-10+,20-14+/t21-,22+,23?,24+/m1/s1", "name": "Myxalamid S", "names": [ "Myxalamid S" ] }, { "compound_id": "C12158", "inchi": "InChI=1S/C26H41NO3/c1-8-19(2)16-22(5)25(29)23(6)17-20(3)14-12-10-9-11-13-15-21(4)26(30)27-24(7)18-28/h9-17,19,23-25,28-29H,8,18H2,1-7H3,(H,27,30)/b10-9-,13-11+,14-12+,20-17+,21-15+,22-16+/t19?,23-,24+,25+/m1/s1", "name": "Myxalamid A", "names": [ "Myxalamid A" ] }, { "compound_id": "C12159", "inchi": "InChI=1S/C25H39NO3/c1-18(2)15-21(5)24(28)22(6)16-19(3)13-11-9-8-10-12-14-20(4)25(29)26-23(7)17-27/h8-16,18,22-24,27-28H,17H2,1-7H3,(H,26,29)/b9-8-,12-10+,13-11+,19-16+,20-14+,21-15+/t22-,23+,24+/m1/s1", "name": "Myxalamid B", "names": [ "Myxalamid B" ] }, { "compound_id": "C12160", "inchi": "InChI=1S/C24H37NO3/c1-7-13-19(3)23(27)21(5)16-18(2)14-11-9-8-10-12-15-20(4)24(28)25-22(6)17-26/h8-16,21-23,26-27H,7,17H2,1-6H3,(H,25,28)/b9-8-,12-10+,14-11+,18-16+,19-13+,20-15+/t21-,22+,23+/m1/s1", "name": "Myxalamid C", "names": [ "Myxalamid C" ] }, { "compound_id": "C12161", "inchi": "InChI=1S/C23H35NO3/c1-7-18(3)22(26)20(5)15-17(2)13-11-9-8-10-12-14-19(4)23(27)24-21(6)16-25/h7-15,20-22,25-26H,16H2,1-6H3,(H,24,27)/b9-8-,12-10+,13-11+,17-15+,18-7+,19-14+/t20-,21+,22+/m1/s1", "name": "Myxalamid D", "names": [ "Myxalamid D" ] }, { "compound_id": "C12162", "inchi": "InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1", "name": "Crinine", "names": [ "Crinine" ] }, { "compound_id": "C12163", "inchi": "InChI=1S/C17H19NO4/c1-20-15-11-8-18-5-4-17(3-2-10(19)6-14(17)18)12(11)7-13-16(15)22-9-21-13/h2-3,7,10,14,19H,4-6,8-9H2,1H3/t10-,14+,17+/m0/s1", "name": "Powelline", "names": [ "Powelline" ] }, { "compound_id": "C12164", "inchi": "InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14?,15-,16-/m0/s1", "name": "Hamayne", "names": [ "Bulbispermine", "Hamayne" ] }, { "compound_id": "C12165", "inchi": "InChI=1S/C18H19NO5/c1-10(20)24-12-2-3-18-13-6-15-14(22-9-23-15)4-11(13)7-19(8-17(18)21)16(18)5-12/h2-4,6,12,16-17,21H,5,7-9H2,1H3/t12-,16-,17-,18-/m0/s1", "name": "3-O-Acetylhamayne", "names": [ "3-O-Acetylhamayne" ] }, { "compound_id": "C12166", "inchi": "InChI=1S/C18H19NO5/c1-9(20)24-18-13(21)4-10-2-3-19-7-11-5-14-15(23-8-22-14)6-12(11)16(18)17(10)19/h4-6,13,16-18,21H,2-3,7-8H2,1H3/t13-,16-,17+,18+/m0/s1", "name": "1-O-Acetyllycorine", "names": [ "1-O-Acetyllycorine" ] }, { "compound_id": "C12167", "inchi": "InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1", "name": "Cherylline", "names": [ "Cherylline" ] }, { "compound_id": "C12168", "inchi": "InChI=1S/C17H19NO5/c1-20-13-8-6-18-3-2-17(9(8)4-11-15(13)22-7-21-11)12(18)5-10(19)14-16(17)23-14/h4,10,12,14,16,19H,2-3,5-7H2,1H3/t10-,12-,14+,16+,17+/m1/s1", "name": "Crinamidine", "names": [ "Crinamidine" ] }, { "compound_id": "C12169", "inchi": "InChI=1/C19H23NO6/c1-10(21)26-13-3-4-15-19(18(13)22)5-6-20(15)8-11-12(19)7-14-17(16(11)23-2)25-9-24-14/h7,13,15,18,22H,3-6,8-9H2,1-2H3/t13-,15+,18-,19-/m0/s1", "name": "1-Epideacetylbowdensine", "names": [ "1-Epideacetylbowdensine" ] }, { "compound_id": "C12170", "inchi": "InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8?,11-,14?,15?,16-/m1/s1", "name": "Zephyranthine", "names": [ "Zephyranthine" ] }, { "compound_id": "C12171", "inchi": "InChI=1S/C20H23NO6/c1-10(22)26-17-5-12-3-4-21-8-13-6-15-16(25-9-24-15)7-14(13)18(19(12)21)20(17)27-11(2)23/h6-7,12,17-20H,3-5,8-9H2,1-2H3/t12?,17-,18?,19?,20-/m1/s1", "name": "1,2-O-Diacetylzephyranthine", "names": [ "1,2-O-Diacetylzephyranthine" ] }, { "compound_id": "C12172", "inchi": "InChI=1S/C17H21NO4/c1-18-8-10-3-4-12(21-2)16-15(10)17(13(20)9-18)6-5-11(19)7-14(17)22-16/h3-6,11,13-14,19-20H,7-9H2,1-2H3/t11-,13-,14-,17-/m1/s1", "name": "11alpha-Hydroxygalanthamine", "names": [ "11alpha-Hydroxygalanthamine" ] }, { "compound_id": "C12173", "inchi": "InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1", "name": "Norgalanthamine", "names": [ "N-Demethylgalanthamine", "Norgalanthamine" ] }, { "compound_id": "C12174", "inchi": "InChI=1S/C17H19NO5/c1-21-9-2-3-17-11-6-13-12(22-8-23-13)5-10(11)16(20)18(7-15(17)19)14(17)4-9/h2-3,5-6,9,14-16,19-20H,4,7-8H2,1H3/t9-,14+,15+,16?,17+/m1/s1", "name": "Haemanthidine", "names": [ "Haemanthidine", "Hemanthidine" ] }, { "compound_id": "C12176", "inchi": "InChI=1S/C35H47NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-21,27-28,30-31,33,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16-,18+,19+,20+,21?,27-,28-,30+,31+,33?/m0/s1", "name": "Proansamycin X", "names": [ "Proansamycin X" ] }, { "compound_id": "C12177", "inchi": "InChI=1S/C25H33NO6/c1-15-6-5-7-24(32-4)23(30)13-21(28)16(2)9-17(3)22(29)14-25(31)26-19-10-18(8-15)11-20(27)12-19/h5-7,9-12,16,21-22,24,27-29H,8,13-14H2,1-4H3,(H,26,31)/b7-5+,15-6+,17-9+/t16-,21-,22-,24+/m0/s1", "name": "Proansamitocin", "names": [ "Proansamitocin" ] }, { "compound_id": "C12178", "inchi": "InChI=1S/C18H19NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3/t10-,15+,16+,18+/m1/s1", "name": "3-Epimacronine", "names": [ "3-Epimacronine" ] }, { "compound_id": "C12179", "inchi": "InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17+,18+/m1/s1", "name": "Tazettine", "names": [ "Tazettine" ] }, { "compound_id": "C12180", "inchi": "InChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15+,16+/m1/s1", "name": "(-)-8-Demethylmaritidine", "names": [ "(-)-8-Demethylmaritidine" ] }, { "compound_id": "C12181", "inchi": "InChI=1S/C15H15NO3/c1-16-13-5-3-2-4-11(13)12-7-15-14(18-9-19-15)6-10(12)8-17/h2-7,16-17H,8-9H2,1H3", "name": "Ismine", "names": [ "Ismine" ] }, { "compound_id": "C12182", "inchi": "InChI=1S/C14H9NO2/c1-2-4-12-10(3-1)11-6-14-13(16-8-17-14)5-9(11)7-15-12/h1-7H,8H2", "name": "Trisphaeridine", "names": [ "Trisphaeridine", "Trispheridine" ] }, { "compound_id": "C12183", "inchi": "InChI=1S/C26H28N2O5/c1-27-23-12-19(31-2)7-9-26(23)20-13-22-21(32-15-33-22)11-17(20)14-28(24(26)25(27)30)10-8-16-3-5-18(29)6-4-16/h3-7,9,11,13,19,23-24,29H,8,10,12,14-15H2,1-2H3/t19-,23+,24-,26+/m1/s1", "name": "Obliquine", "names": [ "Obliquine" ] }, { "compound_id": "C12184", "inchi": "InChI=1S/C18H23NO5/c1-22-12-6-9-8-19-5-4-10-15(19)14(11(9)7-13(12)23-2)17(21)18(24-3)16(10)20/h4,6-7,14-18,20-21H,5,8H2,1-3H3/t14-,15+,16+,17-,18-/m0/s1", "name": "Narcissidine", "names": [ "Narcissidine" ] }, { "compound_id": "C12185", "inchi": "InChI=1S/C16H17NO4/c18-12-2-1-9-11-6-17(15(9)16(12)19)5-8-3-13-14(4-10(8)11)21-7-20-13/h1,3-4,11-12,15-16,18-19H,2,5-7H2/t11-,12+,15-,16-/m1/s1", "name": "Nangustine", "names": [ "Nangustine" ] }, { "compound_id": "C12186", "inchi": "InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12-,13-,14-/m0/s1", "name": "Pancracine", "names": [ "Pancracine" ] }, { "compound_id": "C12187", "inchi": "InChI=1S/C16H19NO4/c1-21-13-5-9-7-17-3-2-8-4-12(19)16(20)14(15(8)17)10(9)6-11(13)18/h4-6,12,14-16,18-20H,2-3,7H2,1H3/t12-,14-,15+,16+/m0/s1", "name": "Pseudolycorine", "names": [ "3,12-Didehydro-9-methoxygalanthan-1alpha,2beta,10-triol", "Pseudolycorine" ] }, { "compound_id": "C12188", "inchi": "InChI=1S/C17H16NO2/c1-19-15-8-12-10-18-7-6-11-4-3-5-13(17(11)18)14(12)9-16(15)20-2/h3-5,8-10H,6-7H2,1-2H3/q+1", "name": "Vasconine", "names": [ "Vasconine" ] }, { "compound_id": "C12189", "inchi": "InChI=1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2/p+1", "name": "Ungeremine", "names": [ "Ungeremine" ] }, { "compound_id": "C12190", "inchi": "InChI=1S/C17H19NO4/c1-18-6-5-9-3-4-13-15(16(9)18)10-8-14(21-2)12(19)7-11(10)17(20)22-13/h3,7-8,13,15-16,19H,4-6H2,1-2H3/t13-,15-,16-/m1/s1", "name": "9-O-Demethylhomolycorine", "names": [ "9-O-Demethylhomolycorine" ] }, { "compound_id": "C12191", "inchi": "InChI=1S/C17H19NO4/c1-20-10-2-3-17-4-5-18(15(17)6-10)16(19)11-7-13-14(8-12(11)17)22-9-21-13/h2-3,7-8,10,15-16,19H,4-6,9H2,1H3/t10-,15+,16+,17+/m1/s1", "name": "ent-6beta-Hydroxybuphanisine", "names": [ "ent-6beta-Hydroxybuphanisine" ] }, { "compound_id": "C12192", "inchi": "InChI=1S/C17H19NO4/c1-20-10-2-3-17-4-5-18(15(17)6-10)16(19)11-7-13-14(8-12(11)17)22-9-21-13/h2-3,7-8,10,15-16,19H,4-6,9H2,1H3/t10-,15+,16-,17+/m1/s1", "name": "ent-6alpha-Hydroxybuphanisine", "names": [ "ent-6alpha-Hydroxybuphanisine" ] }, { "compound_id": "C12193", "inchi": "InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m1/s1", "name": "Vittatine", "names": [ "Vittatine" ] }, { "compound_id": "C12194", "inchi": "InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14+,15+,16+/m1/s1", "name": "11-Hydroxyvittatine", "names": [ "11-Hydroxyvittatine" ] }, { "compound_id": "C12195", "inchi": "InChI=1S/C17H21NO3/c1-19-13-7-10-9-18-6-5-17(11(10)8-14(13)20-2)15(18)4-3-12-16(17)21-12/h7-8,12,15-16H,3-6,9H2,1-2H3/t12-,15?,16-,17-/m0/s1", "name": "Zephyramine", "names": [ "Zephyramine" ] }, { "compound_id": "C12196", "inchi": "InChI=1S/C44H36N2O9/c1-45-32(31-18-40-39(54-21-55-40)17-30(31)27-8-6-23-12-36-38(53-20-51-36)16-29(23)43(27)45)13-24(47)14-33-41-25(9-10-34(48-3)44(41)49-4)26-7-5-22-11-35-37(52-19-50-35)15-28(22)42(26)46(33)2/h5-12,15-18,32-33H,13-14,19-21H2,1-4H3/t32-,33+/m0/s1", "name": "(+/-)-Bocconarborine A", "names": [ "(+/-)-Bocconarborine A" ] }, { "compound_id": "C12197", "inchi": "InChI=1S/C44H36N2O9/c1-45-32(31-18-40-39(54-21-55-40)17-30(31)27-8-6-23-12-36-38(53-20-51-36)16-29(23)43(27)45)13-24(47)14-33-41-25(9-10-34(48-3)44(41)49-4)26-7-5-22-11-35-37(52-19-50-35)15-28(22)42(26)46(33)2/h5-12,15-18,32-33H,13-14,19-21H2,1-4H3/t32-,33-/m0/s1", "name": "(+/-)-Bocconarborine B", "names": [ "(+/-)-Bocconarborine B" ] }, { "compound_id": "C12198", "inchi": "InChI=1S/C22H19NO5/c1-23-16(6-7-24)20-13(4-5-17-22(20)28-11-25-17)14-3-2-12-8-18-19(27-10-26-18)9-15(12)21(14)23/h2-5,8-9,16,24H,6-7,10-11H2,1H3", "name": "6-(2-Hydroxyethyl)-5,6-dihydrosanguinarine", "names": [ "6-(2-Hydroxyethyl)-5,6-dihydrosanguinarine" ] }, { "compound_id": "C12199", "inchi": "InChI=1S/C15H13NO3/c1-17-10-2-3-11-12-6-15-14(18-8-19-15)4-9(12)7-16-13(11)5-10/h2-4,6-7,10H,5,8H2,1H3", "name": "3-Methoxy-8,9-methylenedioxy-3,4-dihydrophenanthridine", "names": [ "3-Methoxy-3,4-dihydro-[1,3]-dioxolo-[4,5-j]-phenanthridine", "3-Methoxy-8,9-methylenedioxy-3,4-dihydrophenanthridine" ] }, { "compound_id": "C12200", "inchi": "InChI=1S/C24H23NO5/c1-13(26)9-18-22-15(7-8-19(27-3)24(22)28-4)16-6-5-14-10-20-21(30-12-29-20)11-17(14)23(16)25(18)2/h5-8,10-11,18H,9,12H2,1-4H3", "name": "(+/-)-6-Acetonyldihydrochelerythrine", "names": [ "(+/-)-6-Acetonyldihydrochelerythrine", "6-Acetonyl-5,6-dihydrochelerythrine" ] }, { "compound_id": "C12201", "inchi": "InChI=1S/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3", "name": "(+/-)-6-Acetonyldihydrosanguinarine", "names": [ "(+/-)-6-Acetonyldihydrosanguinarine", "(+/-)-8-Acetonyldihydrosanguinarine", "6-Acetonyl-5,6-dihydrosanguinarine" ] }, { "compound_id": "C12202", "inchi": "InChI=1S/C20H32O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-15,17,19-20,22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+/t13-,14-,15+,17-,19+,20+/m1/s1", "name": "Platenolide A", "names": [ "Platenolide A", "Platenolide I" ] }, { "compound_id": "C12203", "inchi": "InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b5-4+/t19-,24-,25-,26?,30-/m1/s1", "name": "5-Hydroxyferuloyl-CoA", "names": [ "5-Hydroxyferuloyl-CoA" ] }, { "compound_id": "C12204", "inchi": "InChI=1S/C10H10O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-6,12-13H,1H3/b3-2+", "name": "5-Hydroxyconiferaldehyde", "names": [ "5-Hydroxyconiferaldehyde" ] }, { "compound_id": "C12205", "inchi": "InChI=1S/C10H12O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-3,5-6,11-13H,4H2,1H3/b3-2+", "name": "5-Hydroxyconiferyl alcohol", "names": [ "5-Hydroxyconiferyl alcohol" ] }, { "compound_id": "C12206", "inchi": "InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2/b2-1+", "name": "Caffeyl alcohol", "names": [ "Caffeyl alcohol" ] }, { "compound_id": "C12208", "inchi": "InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1", "name": "p-Coumaroyl quinic acid", "names": [ "p-Coumaroyl quinic acid", "trans-5-O-(4-Coumaroyl)-D-quinate" ] }, { "compound_id": "C12210", "inchi": "InChI=1S/C15H22N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-9,11-14,18,20-21,23-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,11-,12-,13-,14-/m1/s1", "name": "UDP-3-ketoglucose", "names": [ "UDP-3-keto-D-glucose", "UDP-3-ketoglucose" ] }, { "compound_id": "C12211", "inchi": "InChI=1S/C15H25N3O16P2/c16-8-9(21)5(3-19)32-14(11(8)23)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8+,9-,10-,11-,12-,13-,14-/m1/s1", "name": "UDP-kanosamine", "names": [ "UDP-D-kanosamine", "UDP-kanosamine" ] }, { "compound_id": "C12212", "inchi": "InChI=1S/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6?/m1/s1", "name": "Kanosamine", "names": [ "D-Kanosamine", "Kanosamine" ] }, { "compound_id": "C12213", "inchi": "InChI=1S/C6H14NO8P/c7-3-4(8)2(1-14-16(11,12)13)15-6(10)5(3)9/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3+,4-,5-,6?/m1/s1", "name": "Kanosamine 6-phosphate", "names": [ "D-Kanosamine 6-phosphate", "Kanosamine 6-phosphate" ] }, { "compound_id": "C12214", "inchi": "InChI=1S/C6H14NO8P/c7-5-4(9)3(1-14-16(11,12)13)15-6(5,10)2-8/h3-5,8-10H,1-2,7H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1", "name": "Aminofructose 6-phosphate", "names": [ "Amino-D-fructose 6-phosphate", "Aminofructose 6-phosphate" ] }, { "compound_id": "C12215", "inchi": "InChI=1S/C4H10NO6P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-7H,2H2,(H2,8,9,10)", "name": "Iminoerythrose 4-phosphate", "names": [ "Imino-D-erythrose 4-phosphate", "Iminoerythrose 4-phosphate" ] }, { "compound_id": "C12216", "inchi": "InChI=1S/C44H69N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-40(52)48(56)29-22-21-26-36(46-41(53)37-32-58-42(47-37)34-24-18-19-27-38(34)50)44(55)59-33(2)31-39(51)45-35-25-20-23-30-49(57)43(35)54/h17-19,24,27-28,33,35-37,50,56-57H,3-16,20-23,25-26,29-32H2,1-2H3,(H,45,51)(H,46,53)/b28-17+", "name": "Mycobactin S", "names": [ "Mycobactin S" ] }, { "compound_id": "C12217", "inchi": "InChI=1S/3CN.Fe/c3*1-2;", "name": "Fe(CN)3", "names": [ "Fe(CN)3", "Ferric cyanide", "Iron cyanide (Fe(CN)3)" ] }, { "compound_id": "C12218", "inchi": "InChI=1S/2CN.Fe/c2*1-2;", "name": "Fe(CN)2", "names": [ "Fe(CN)2", "Iron cyanide (Fe(CN)2)" ] }, { "compound_id": "C12219", "inchi": "InChI=1S/C39H42N6O18/c1-16-28(43-25(49)13-40-34(55)19-7-4-10-22(46)31(19)52)37(58)62-18(3)30(45-27(51)15-42-36(57)21-9-6-12-24(48)33(21)54)39(60)63-17(2)29(38(59)61-16)44-26(50)14-41-35(56)20-8-5-11-23(47)32(20)53/h4-12,16-18,28-30,46-48,52-54H,13-15H2,1-3H3,(H,40,55)(H,41,56)(H,42,57)(H,43,49)(H,44,50)(H,45,51)/t16-,17-,18-,28+,29+,30+/m1/s1", "name": "Corynebactin", "names": [ "Bacillibactin", "Corynebactin" ] }, { "compound_id": "C12220", "inchi": "InChI=1S/C20H24N2O7/c23-11-12(22-20(29)14-7-4-9-16(25)18(14)27)5-1-2-10-21-19(28)13-6-3-8-15(24)17(13)26/h3-4,6-9,12,23-27H,1-2,5,10-11H2,(H,21,28)(H,22,29)/t12-/m0/s1", "name": "Myxochelin A", "names": [ "Myxochelin A" ] }, { "compound_id": "C12221", "inchi": "InChI=1S/C20H25N3O6/c21-11-12(23-20(29)14-7-4-9-16(25)18(14)27)5-1-2-10-22-19(28)13-6-3-8-15(24)17(13)26/h3-4,6-9,12,24-27H,1-2,5,10-11,21H2,(H,22,28)(H,23,29)/t12-/m0/s1", "name": "Myxochelin B", "names": [ "Myxochelin B" ] }, { "compound_id": "C12222", "inchi": "InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3", "name": "Hydroxysanguinarine", "names": [ "Hydroxysanguinarine" ] }, { "compound_id": "C12223", "inchi": "InChI=1S/C24H25NO6/c1-25-17(12-21(26)27)22-14(8-9-18(28-2)24(22)31-5)15-7-6-13-10-19(29-3)20(30-4)11-16(13)23(15)25/h6-11,17H,12H2,1-5H3,(H,26,27)/t17-/m0/s1", "name": "N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6-ethanoic acid", "names": [ "N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6-ethanoic acid" ] }, { "compound_id": "C12224", "inchi": "InChI=1S/C22H21NO5/c1-23-20-14(7-6-12-10-17(26-3)18(27-4)11-15(12)20)13-8-9-16(25-2)21(28-5)19(13)22(23)24/h6-11H,1-5H3", "name": "N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one", "names": [ "N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one" ] }, { "compound_id": "C12225", "inchi": "InChI=1S/C21H17NO5/c1-22-19-13(5-4-11-8-16-17(9-14(11)19)27-10-26-16)12-6-7-15(24-2)20(25-3)18(12)21(22)23/h4-9H,10H2,1-3H3", "name": "6-Oxochelerythrine", "names": [ "6-Oxochelerythrine", "Oxychelerythrine" ] }, { "compound_id": "C12226", "inchi": "InChI=1S/C20H15NO4/c1-22-16-6-5-12-13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21-9-15(12)20(16)23-2/h3-9H,10H2,1-2H3", "name": "Norchelerythrine", "names": [ "Norchelerythrine" ] }, { "compound_id": "C12227", "inchi": "InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1", "name": "Chelerythrine", "names": [ "Chelerythrine" ] }, { "compound_id": "C12228", "inchi": "InChI=1S/C23H24NO5/c1-24-12-16-21(19(27-4)11-20(28-5)23(16)29-6)14-8-7-13-9-17(25-2)18(26-3)10-15(13)22(14)24/h7-12H,1-6H3/q+1", "name": "Sanguilutine", "names": [ "Sanguilutine" ] }, { "compound_id": "C12229", "inchi": "InChI=1S/C22H20NO5/c1-23-10-15-20(18(24-2)9-19(25-3)22(15)26-4)13-6-5-12-7-16-17(28-11-27-16)8-14(12)21(13)23/h5-10H,11H2,1-4H3/q+1", "name": "Chelilutine", "names": [ "Chelilutine" ] }, { "compound_id": "C12230", "inchi": "InChI=1S/C22H20NO5/c1-23-10-15-20(18(26-4)9-19-22(15)28-11-27-19)13-6-5-12-7-16(24-2)17(25-3)8-14(12)21(13)23/h5-10H,11H2,1-4H3/q+1", "name": "Sanguirubine", "names": [ "Sanguirubine" ] }, { "compound_id": "C12231", "inchi": "InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3", "name": "Anhalamine", "names": [ "Anhalamine", "N-Demethylanhalidine" ] }, { "compound_id": "C12232", "inchi": "InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1", "name": "Sanguinine", "names": [ "Sanguinine" ] }, { "compound_id": "C12233", "inchi": "InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14-,17-/m0/s1", "name": "Lycoramine", "names": [ "1,2-Dihydrogalanthamine", "Lycoramine" ] }, { "compound_id": "C12234", "inchi": "InChI=1S/C16H21NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-3,11,13,17-18H,4-9H2,1H3/t11-,13+,16+/m1/s1", "name": "Epinorlycoramine", "names": [ "Epinorlycoramine" ] }, { "compound_id": "C12235", "inchi": "InChI=1S/C17H17NO2/c1-19-15-8-12-10-18-7-6-11-4-3-5-13(17(11)18)14(12)9-16(15)20-2/h3-5,8-9H,6-7,10H2,1-2H3", "name": "Assoanine", "names": [ "Assoanine" ] }, { "compound_id": "C12236", "inchi": "InChI=1S/C17H15NO3/c1-20-14-8-12-11-5-3-4-10-6-7-18(16(10)11)17(19)13(12)9-15(14)21-2/h3-5,8-9H,6-7H2,1-2H3", "name": "Oxoassoanine", "names": [ "Dihydropratosine", "Oxoassoanine" ] }, { "compound_id": "C12237", "inchi": "InChI=1S/C18H21NO5/c1-9(20)24-15-5-10-3-4-19-8-11-6-14(23-2)13(21)7-12(11)16(17(10)19)18(15)22/h5-7,15-18,21-22H,3-4,8H2,1-2H3/t15-,16-,17+,18+/m0/s1", "name": "2-O-Acetylpseudolycorine", "names": [ "2-O-Acetylpseudolycorine" ] }, { "compound_id": "C12238", "inchi": "InChI=1S/C18H23NO4/c1-21-11-4-5-18-6-7-19(16(18)8-11)17(20)12-9-14(22-2)15(23-3)10-13(12)18/h4-5,9-11,16-17,20H,6-8H2,1-3H3/t11-,16?,17?,18+/m1/s1", "name": "Papyramine", "names": [ "Papyramine" ] }, { "compound_id": "C12239", "inchi": "InChI=1S/C17H19NO5/c1-18-4-3-8-5-12(20)16-14(15(8)18)9-6-11(19)13(22-2)7-10(9)17(21)23-16/h5-7,12,14-16,19-20H,3-4H2,1-2H3/t12-,14-,15+,16+/m0/s1", "name": "9-O-Demethyl-2alpha-hydroxyhomolycorine", "names": [ "9-O-Demethyl-2alpha-hydroxyhomolycorine" ] }, { "compound_id": "C12240", "inchi": "InChI=1S/C23H27NO8/c1-11(25)7-19(27)31-17-9-14-15(10-16(17)29-4)23(28)32-22-18(30-12(2)26)8-13-5-6-24(3)21(13)20(14)22/h8-11,18,20-22,25H,5-7H2,1-4H3/t11?,18-,20-,21+,22+/m0/s1", "name": "Dubiusine", "names": [ "Dubiusine" ] }, { "compound_id": "C12241", "inchi": "InChI=1/C19H25NO4/c1-20-8-7-11-5-6-14-17(18(11)20)12-9-15(21-2)16(22-3)10-13(12)19(23-4)24-14/h5,9-10,14,17-19H,6-8H2,1-4H3/t14-,17-,18-,19+/m1/s1", "name": "O-Methyllycorenine", "names": [ "O-Methyllycorenine" ] }, { "compound_id": "C12242", "inchi": "InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1", "name": "Chelidonine", "names": [ "Chelidonine" ] }, { "compound_id": "C12243", "inchi": "InChI=1S/C16H19NO2/c1-2-10-4-5-17-8-11-6-14-15(19-9-18-14)7-13(11)12(3-1)16(10)17/h6-7,10,12,16H,1-5,8-9H2/t10-,12?,16+/m1/s1", "name": "(+/-)-gamma-Lycorane", "names": [ "(+/-)-gamma-Lycorane" ] }, { "compound_id": "C12244", "inchi": "InChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2", "name": "3-Buten-1-amine", "names": [ "3-Buten-1-amine" ] }, { "compound_id": "C12245", "inchi": "InChI=1S/C8H11N3O3/c1-3-4-5-9-8-11-10-6(14-8)7(12)13-2/h3H,1,4-5H2,2H3,(H,9,11)", "name": "Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate", "names": [ "Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate" ] }, { "compound_id": "C12246", "inchi": "InChI=1S/C35H45NO10/c1-15-9-8-10-16(2)35(46)36-24-13-25(38)26-23(34(24)45)12-18(4)30(41)27(26)29(40)17(3)11-22(14-37)33(44)21(7)32(43)20(6)31(42)19(5)28(15)39/h8-13,15,19-22,28,31-33,37,39,41-44H,14H2,1-7H3,(H,36,46)/b9-8+,16-10-,17-11+/t15-,19+,20+,21-,22+,28-,31+,32-,33+/m0/s1", "name": "Protorifamycin I", "names": [ "Protorifamycin I" ] }, { "compound_id": "C12247", "inchi": "InChI=1S/C35H45NO11/c1-14-9-8-10-15(2)35(47)36-22-12-23(38)24-25(32(44)20(7)33(45)26(24)34(22)46)28(40)16(3)11-21(13-37)31(43)19(6)30(42)18(5)29(41)17(4)27(14)39/h8-12,14,17-19,21,27,29-31,37,39,41-45H,13H2,1-7H3,(H,36,47)/b9-8+,15-10-,16-11+/t14-,17+,18+,19-,21+,27-,29+,30-,31+/m0/s1", "name": "Rifamycin W", "names": [ "Rifamycin W" ] }, { "compound_id": "C12248", "inchi": "InChI=1S/C5H6N4O5/c6-3(12)7-1-5(14,2(10)11)9-4(13)8-1/h14H,(H,10,11)(H4,6,7,8,9,12,13)", "name": "5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate", "names": [ "5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate" ] }, { "compound_id": "C12249", "inchi": "InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1", "name": "Kaempferol 3-O-glucoside", "names": [ "Astragalin", "Kaempferol 3-O-beta-D-glucoside", "Kaempferol 3-O-glucoside" ] }, { "compound_id": "C12250", "inchi": "InChI=1S/C16H11NO3/c18-16-12-7-14-13(19-8-20-14)6-11(12)10-3-1-2-9-4-5-17(16)15(9)10/h1-3,6-7H,4-5,8H2", "name": "Anhydrolycorinone", "names": [ "Anhydrolycorinone" ] }, { "compound_id": "C12251", "inchi": "InChI=1S/C7H7IO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3", "name": "2-Iodo-6-methoxyphenol", "names": [ "2-Iodo-6-methoxyphenol" ] }, { "compound_id": "C12252", "inchi": "InChI=1S/C17H18BrNO4/c1-19(8-7-11-3-5-12(20)6-4-11)17(22)13-9-15(21)16(23-2)10-14(13)18/h3-6,9-10,20-21H,7-8H2,1-2H3", "name": "2-Bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methylbenzamide", "names": [ "2-Bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methylbenzamide" ] }, { "compound_id": "C12253", "inchi": "InChI=1S/C15H17NO3/c17-10-3-4-15-5-6-16-8-9-1-2-11(18)14(13(9)15)19-12(15)7-10/h1-4,10,12,16-18H,5-8H2/t10-,12-,15-/m0/s1", "name": "Norsanguinine", "names": [ "Norsanguinine" ] }, { "compound_id": "C12254", "inchi": "InChI=1S/C26H26N2O6/c1-27-22-11-17(32-2)7-9-26(22)19-13-21-20(33-14-34-21)12-18(19)24(30)28(23(26)25(27)31)10-8-15-3-5-16(29)6-4-15/h3-7,9,12-13,17,22-23,29H,8,10-11,14H2,1-2H3/t17-,22-,23+,26-/m0/s1", "name": "(+)-Plicamine", "names": [ "(+)-Plicamine" ] }, { "compound_id": "C12255", "inchi": "InChI=1S/C14H15NO7/c16-10-8-4-1-6-7(22-3-21-6)2-5(4)14(20)15-9(8)11(17)13(19)12(10)18/h1-2,8-13,16-19H,3H2,(H,15,20)/t8-,9-,10-,11+,12+,13+/m1/s1", "name": "7-Deoxypancratistatin", "names": [ "7-Deoxypancratistatin" ] }, { "compound_id": "C12256", "inchi": "InChI=1S/C14H15NO6/c16-7-3-8(17)13(18)12-11(7)5-1-9-10(21-4-20-9)2-6(5)14(19)15-12/h1-2,7-8,11-13,16-18H,3-4H2,(H,15,19)/t7-,8+,11-,12+,13+/m0/s1", "name": "(+)-2,7-Dideoxypancratistatin", "names": [ "(+)-2,7-Dideoxypancratistatin" ] }, { "compound_id": "C12257", "inchi": "InChI=1S/C21H23NO5/c1-22-9-14-12(4-5-16(24-2)21(14)25-3)19-15(23)6-11-7-17-18(27-10-26-17)8-13(11)20(19)22/h4-5,7-8,15,19-20,23H,6,9-10H2,1-3H3/t15-,19-,20+/m0/s1", "name": "Homochelidonine", "names": [ "(+/-)-Homochelidonine", "Homochelidonine" ] }, { "compound_id": "C12258", "inchi": "InChI=1S/C20H14O7/c1-23-13-4-3-12-16(17(13)24-2)19(22)27-20(12)6-5-10-7-14-15(26-9-25-14)8-11(10)18(20)21/h3-8H,9H2,1-2H3/t20-/m1/s1", "name": "Arnottin II", "names": [ "Arnottin II" ] }, { "compound_id": "C12259", "inchi": "InChI=1S/C20H24N2O2/c1-22-12-10-20(14-6-7-17(23-2)18(13-14)24-3)9-8-16-15(19(20)22)5-4-11-21-16/h4-7,11,13,19H,8-10,12H2,1-3H3/t19-,20-/m0/s1", "name": "(+)-Sceletium A4", "names": [ "(+)-Sceletium A4" ] }, { "compound_id": "C12260", "inchi": "InChI=1S/C20H26N2O2/c1-21-12-10-20(9-8-17-15(14-20)5-4-11-22-17)16-6-7-18(23-2)19(13-16)24-3/h4-7,11,13,21H,8-10,12,14H2,1-3H3/t20-/m1/s1", "name": "(-)-Tortuosamine", "names": [ "(-)-Tortuosamine", "Tortuosamine" ] }, { "compound_id": "C12261", "inchi": "InChI=1S/C14H26O4Si/c1-13(2,3)19(6,7)18-10-8-9(15)11-12(10)17-14(4,5)16-11/h10-12H,8H2,1-7H3/t10-,11-,12+/m1/s1", "name": "2,3,4-Trioxycyclopentanone", "names": [ "2,3,4-Trioxycyclopentanone" ] }, { "compound_id": "C12262", "inchi": "InChI=1S/C19H25NO5/c1-20(18(22)25-4)12-11-19(9-7-15(21)8-10-19)14-5-6-16(23-2)17(13-14)24-3/h5-7,9,13H,8,10-12H2,1-4H3/t19-/m1/s1", "name": "4,4-Disubstituted cyclohexenone", "names": [ "4,4-Disubstituted cyclohexenone" ] }, { "compound_id": "C12263", "inchi": "InChI=1S/C13H16O3/c1-4-8-16-9-7-11-5-6-12(14-2)13(10-11)15-3/h4-7,9-10H,1,8H2,2-3H3/b9-7+", "name": "1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene", "names": [ "1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene" ] }, { "compound_id": "C12264", "inchi": "InChI=1S/C11H10O5/c1-14-3-2-7-4-9-10(16-6-15-9)5-8(7)11(12)13/h2-5H,6H2,1H3,(H,12,13)/b3-2+", "name": "6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid", "names": [ "6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid" ] }, { "compound_id": "C12265", "inchi": null, "name": "Lichenysin D", "names": [ "Lichenysin D" ] }, { "compound_id": "C12266", "inchi": null, "name": "Iturin A", "names": [ "Iturin A" ] }, { "compound_id": "C12267", "inchi": null, "name": "Bacillomycin D", "names": [ "Bacillomycin D" ] }, { "compound_id": "C12268", "inchi": null, "name": "Syringomycin", "names": [ "Syringomycin" ] }, { "compound_id": "C12269", "inchi": "InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1", "name": "N-Methyl-D-aspartic acid", "names": [ "N-Methyl-D-aspartate", "N-Methyl-D-aspartic acid", "NMDA" ] }, { "compound_id": "C12270", "inchi": "InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)", "name": "N-Acetyl-aspartyl-glutamate", "names": [ "N-Acetyl-aspartyl-glutamate", "NAAG" ] }, { "compound_id": "C12271", "inchi": "InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-", "name": "Arachidonoyl dopamine", "names": [ "Arachidonoyl dopamine" ] }, { "compound_id": "C12272", "inchi": "InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-", "name": "N-Oleoyl dopamine", "names": [ "N-Oleoyl dopamine" ] }, { "compound_id": "C12276", "inchi": "InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1", "name": "Calcium pantothenate", "names": [ "Calcium pantothenate" ] }, { "compound_id": "C12277", "inchi": "InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2", "name": "Calcium hydroxide", "names": [ "Calcium hydroxide" ] }, { "compound_id": "C12278", "inchi": "InChI=1S/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1", "name": "Copper gluconate", "names": [ "Copper gluconate" ] }, { "compound_id": "C12280", "inchi": "InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-", "name": "Methyl acetyl ricinoleate", "names": [ "Methyl acetyl ricinoleate" ] }, { "compound_id": "C12282", "inchi": null, "name": "Polyvinyl acetate", "names": [ "Polyvinyl acetate" ] }, { "compound_id": "C12283", "inchi": "InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)", "name": "Saccharin", "names": [ "Saccharin" ] }, { "compound_id": "C12284", "inchi": "InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1", "name": "Saccharin sodium anhydrous", "names": [ "Saccharin sodium anhydrous" ] }, { "compound_id": "C12285", "inchi": "InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1", "name": "Sucralose", "names": [ "Sucralose" ] }, { "compound_id": "C12286", "inchi": "InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+", "name": "alpha-Ionone", "names": [ "alpha-Ionone" ] }, { "compound_id": "C12287", "inchi": "InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+", "name": "beta-Ionone", "names": [ "beta-Ionone" ] }, { "compound_id": "C12288", "inchi": "InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-", "name": "alpha-Amylcinnamaldehyde", "names": [ "alpha-Amylcinnamaldehyde", "alpha-Pentylcinnamaldehyde" ] }, { "compound_id": "C12289", "inchi": "InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3", "name": "Isoamyl isovalerate", "names": [ "Isoamyl isovalerate" ] }, { "compound_id": "C12290", "inchi": "InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3", "name": "Ethyl isovalerate", "names": [ "Ethyl isovalerate" ] }, { "compound_id": "C12292", "inchi": "InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3", "name": "Ethyl octanoate", "names": [ "Ethyl caprylate", "Ethyl octanoate" ] }, { "compound_id": "C12293", "inchi": "InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3", "name": "Isoamyl formate", "names": [ "Isoamyl formate" ] }, { "compound_id": "C12294", "inchi": "InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+", "name": "Geranyl formate", "names": [ "Geranyl formate" ] }, { "compound_id": "C12295", "inchi": "InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3", "name": "Citronellyl formate", "names": [ "Citronellyl formate" ] }, { "compound_id": "C12296", "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3", "name": "Isoamyl acetate", "names": [ "Isoamyl acetate" ] }, { "compound_id": "C12297", "inchi": "InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3", "name": "Cyclohexyl acetate", "names": [ "Cyclohexyl acetate" ] }, { "compound_id": "C12298", "inchi": "InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3", "name": "Citronellyl acetate", "names": [ "3,7-Dimethyl-6-octen-1-yl acetate", "Citronellyl acetate" ] }, { "compound_id": "C12299", "inchi": "InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+", "name": "Cinnamyl acetate", "names": [ "3-Phenyl-2-propenyl acetate", "Cinnamyl acetate" ] }, { "compound_id": "C12300", "inchi": "InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3", "name": "alpha-Terpinyl acetate", "names": [ "alpha-Terpinyl acetate", "p-Menth-1-en-8-yl acetate" ] }, { "compound_id": "C12301", "inchi": "InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3", "name": "beta-Terpinyl acetate", "names": [ "Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, 1-acetate", "beta-Terpinyl acetate" ] }, { "compound_id": "C12302", "inchi": "InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5-8H2,1-4H3", "name": "gamma-Terpinyl acetate", "names": [ "Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, 1-acetate", "gamma-Terpinyl acetate", "p-Menth-4-en-1-yl acetate" ] }, { "compound_id": "C12303", "inchi": "InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3", "name": "Phenethyl acetate", "names": [ "2-Phenylethyl acetate", "Phenethyl acetate" ] }, { "compound_id": "C12304", "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", "name": "Butyl acetate", "names": [ "Butyl acetate" ] }, { "compound_id": "C12305", "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3", "name": "Methyl salicylate", "names": [ "Methyl 2-hydroxybenzoate", "Methyl salicylate" ] }, { "compound_id": "C12306", "inchi": "InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2", "name": "Allyl cyclohexylpropionate", "names": [ "2-Propenyl 3-cyclohexylpropanoate", "Allyl cyclohexylpropionate" ] }, { "compound_id": "C12307", "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3", "name": "Decanal", "names": [ "1-Decanal", "Decanal" ] }, { "compound_id": "C12308", "inchi": "InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1", "name": "Gibberellin A44", "names": [ "Gibberellin 44", "Gibberellin A44" ] }, { "compound_id": "C12309", "inchi": null, "name": "Esmeraldin A", "names": [ "Esmeraldin A" ] }, { "compound_id": "C12310", "inchi": "InChI=1S/C38H28N4O7/c1-17-8-4-15-28(43)29(17)38(48)49-19(3)21-10-6-12-24-31(21)41-34-30-18(2)20-9-5-13-25-35(20)42(27(30)16-23(37(46)47)33(34)39-24)26-14-7-11-22(36(44)45)32(26)40-25/h4-16,18-19,40,43H,1-3H3,(H,44,45)(H,46,47)", "name": "Esmeraldin B", "names": [ "Esmeraldin B" ] }, { "compound_id": "C12311", "inchi": "InChI=1S/C23H18N2O5/c1-12-6-3-11-18(26)19(12)23(29)30-13(2)14-7-4-9-16-20(14)24-17-10-5-8-15(22(27)28)21(17)25-16/h3-11,13,26H,1-2H3,(H,27,28)", "name": "Saphenamycin", "names": [ "Saphenamycin" ] }, { "compound_id": "C12312", "inchi": "InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)", "name": "Indolin-2-one", "names": [ "Indolin-2-one" ] }, { "compound_id": "C12313", "inchi": "InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+", "name": "cis-1,2-Cyclohexanediol", "names": [ "cis-1,2-Cyclohexanediol", "cis-Cyclohexane-1,2-diol" ] }, { "compound_id": "C12314", "inchi": "InChI=1S/C6H10O3/c7-5-3-1-2-4-9-6(5)8/h5,7H,1-4H2", "name": "1-Oxa-2-oxo-3-hydroxycycloheptane", "names": [ "1-Oxa-2-oxo-3-hydroxycycloheptane" ] }, { "compound_id": "C12316", "inchi": "InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15-/m0/s1", "name": "cis-Dihydroquercetin", "names": [ "cis-Dihydroquercetin" ] }, { "compound_id": "C12317", "inchi": "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1", "name": "D-Allothreonine", "names": [ "D-Allothreonine", "D-allo-Threonine" ] }, { "compound_id": "C12318", "inchi": "InChI=1S/C16H25N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-13,20H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9-,10+,11-,12-,13-/m1/s1", "name": "dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose", "names": [ "dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose" ] }, { "compound_id": "C12319", "inchi": "InChI=1S/C17H27N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-13,21H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10+,11-,12-,13-,17+/m1/s1", "name": "dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose", "names": [ "dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose" ] }, { "compound_id": "C12320", "inchi": "InChI=1S/C17H27N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-13,21H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10-,11+,12+,13+,17-/m0/s1", "name": "dTDP-L-4-oxovancosamine", "names": [ "dTDP-L-4-oxovancosamine" ] }, { "compound_id": "C12321", "inchi": "InChI=1S/C17H29N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-14,21-22H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10-,11+,12+,13+,14-,17-/m0/s1", "name": "dTDP-L-epivancosamine", "names": [ "dTDP-L-epivancosamine" ] }, { "compound_id": "C12322", "inchi": "InChI=1S/C17H29N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-14,21-22H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10-,11+,12+,13+,14+,17-/m0/s1", "name": "dTDP-L-vancosamine", "names": [ "dTDP-L-vancosamine" ] }, { "compound_id": "C12323", "inchi": "InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1", "name": "L-4-Hydroxyphenylglycine", "names": [ "L-4-Hydroxyphenylglycine" ] }, { "compound_id": "C12324", "inchi": "InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-4-3-19(39)31-5-6-59-20(40)9-15-7-16(37)10-17(38)8-15)12-52-58(49,50)55-57(47,48)51-11-18-23(54-56(44,45)46)22(41)28(53-18)36-14-35-21-25(30)33-13-34-26(21)36/h7-8,10,13-14,18,22-24,28,37-38,41-42H,3-6,9,11-12H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/t18-,22-,23-,24?,28-/m1/s1", "name": "3,5-Dihydroxyphenylacetyl-CoA", "names": [ "3,5-Dihydroxyphenylacetyl-CoA" ] }, { "compound_id": "C12325", "inchi": "InChI=1S/C8H6O5/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,9-10H,(H,12,13)", "name": "3,5-Dihydroxyphenylglyoxylate", "names": [ "3,5-Dihydroxyphenylglyoxylate" ] }, { "compound_id": "C12326", "inchi": "InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3", "name": "(R,S)-Scoulerine", "names": [ "(R,S)-Scoulerine", "Scoulerine" ] }, { "compound_id": "C12327", "inchi": "InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3", "name": "Laudanosoline", "names": [ "(R,S)-Laudanosoline", "Laudanosoline" ] }, { "compound_id": "C12328", "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3", "name": "Reticuline", "names": [ "(R,S)-Reticuline", "Reticuline" ] }, { "compound_id": "C12329", "inchi": "InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3", "name": "(R,S)-Norreticuline", "names": [ "(R,S)-Norreticuline", "Norreticuline" ] }, { "compound_id": "C12330", "inchi": "InChI=1S/C17H17NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,6-7,13,19-22H,3-5,8H2", "name": "2,3,9,10-Tetrahydroxyberbine", "names": [ "2,3,9,10-Tetrahydroxyberbine" ] }, { "compound_id": "C12331", "inchi": "InChI=1S/C17H13NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,5-8H,3-4H2,(H3,19,20,21,22)/p+1", "name": "2,3,9,10-Tetrahydroxyberberine", "names": [ "2,3,9,10-Tetrahydroxyberberine" ] }, { "compound_id": "C12332", "inchi": "InChI=1S/C26H31NO4/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-23(29)24-25(30)22(16-27-26(24)31)20-10-12-21(28)13-11-20/h6-13,15-17,19,28H,5,14H2,1-4H3,(H2,27,30,31)/b8-6+,9-7+,18-15+/t17-,19-/m1/s1", "name": "Militarinone D", "names": [ "Militarinone D" ] }, { "compound_id": "C12333", "inchi": "InChI=1S/C26H37NO6/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-22(29)23-24(30)21(16-27(33)25(23)31)26(32)12-10-20(28)11-13-26/h6-9,15-17,19-20,28,30,32-33H,5,10-14H2,1-4H3/b8-6+,9-7+,18-15+/t17-,19-,20-,26+/m1/s1", "name": "Militarinone A", "names": [ "Militarinone A" ] }, { "compound_id": "C12334", "inchi": "InChI=1S/C26H33NO5/c1-5-16(2)14-18(4)15-17(3)8-6-7-9-21(29)22-25(31)23(27-26(22)32)24(30)19-10-12-20(28)13-11-19/h6-13,15-16,18,23-24,28-30H,5,14H2,1-4H3,(H,27,32)/b8-6+,9-7+,17-15+,22-21+/t16-,18-,23?,24?/m1/s1", "name": "Militarinone B", "names": [ "Militarinone B" ] }, { "compound_id": "C12335", "inchi": "InChI=1S/C26H33NO4/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-23(29)24-25(30)22(27-26(24)31)16-20-10-12-21(28)13-11-20/h6-13,15,17,19,22,28-29H,5,14,16H2,1-4H3,(H,27,31)/b8-6+,9-7+,18-15+,24-23+/t17-,19-,22?/m1/s1", "name": "Militarinone C", "names": [ "Militarinone C" ] }, { "compound_id": "C12336", "inchi": "InChI=1S/C24H27NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-11,14-15,25-26H,12H2,1-5H3/t14-,15-/m1/s1", "name": "Dioncophylline A", "names": [ "Dioncophylline A" ] }, { "compound_id": "C12337", "inchi": "InChI=1S/C23H25NO3/c1-12-10-20(27-4)23-16(6-5-7-18(23)25)21(12)15-8-9-19(26)22-14(3)24-13(2)11-17(15)22/h5-10,13-14,24-26H,11H2,1-4H3/t13-,14-/m1/s1", "name": "Dioncophylline C", "names": [ "Dioncophylline C" ] }, { "compound_id": "C12338", "inchi": "InChI=1S/C23H25NO4/c1-11-7-15-14(5-6-17(25)23(15)20(8-11)28-4)22-16-9-12(2)24-13(3)21(16)18(26)10-19(22)27/h5-8,10,12-13,24-27H,9H2,1-4H3/t12-,13-/m1/s1", "name": "Korupensamine A", "names": [ "Korupensamine A" ] }, { "compound_id": "C12339", "inchi": "InChI=1S/C23H25NO4/c1-12-9-14-7-8-17(23(27)20(14)13(2)24-12)21-15(11-25)10-19(28-3)22-16(21)5-4-6-18(22)26/h4-8,10,12-13,24-27H,9,11H2,1-3H3/t12-,13-/m1/s1", "name": "Dioncopeltine A", "names": [ "Dioncopeltine A", "Triphyopeltine" ] }, { "compound_id": "C12340", "inchi": "InChI=1S/C26H31NO4/c1-14-11-17-9-8-10-19(29-5)23(17)25(28)21(14)24-20(30-6)13-18-12-15(2)27(4)16(3)22(18)26(24)31-7/h8-11,13,15-16,28H,12H2,1-7H3/t15-,16+/m0/s1", "name": "Ancistrotectorine", "names": [ "Ancistrotectorine" ] }, { "compound_id": "C12341", "inchi": "InChI=1S/C23H25NO4/c1-11-9-14-5-6-15(23(27)20(14)18(10-11)28-4)16-7-8-17-19(22(16)26)12(2)24-13(3)21(17)25/h5-10,12-13,21,24-27H,1-4H3/t12-,13-,21+/m1/s1", "name": "Dioncophyllinol B", "names": [ "Dioncophyllinol B" ] }, { "compound_id": "C12342", "inchi": "InChI=1S/C27H33NO4/c1-15-11-20-19(9-10-21(29-5)25(20)22(12-15)30-6)26-23(31-7)14-18-13-16(2)28(4)17(3)24(18)27(26)32-8/h9-12,14,16-17H,13H2,1-8H3/t16-,17+/m0/s1", "name": "Ancistrobrevine A", "names": [ "Ancistrobrevine A" ] }, { "compound_id": "C12343", "inchi": "InChI=1S/C11H12O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,11-12,14H,5H2,1H3/t6-,11-/m1/s1", "name": "Isoshinanolone", "names": [ "Isoshinanolone" ] }, { "compound_id": "C12344", "inchi": "InChI=1S/C11H10O2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-6,12-13H,1H3", "name": "1,8-Dihydroxy-3-methylnaphthalene", "names": [ "1,8-Dihydroxy-3-methylnaphthalene" ] }, { "compound_id": "C12345", "inchi": "InChI=1S/C11H11NO2/c1-6-3-8-4-9(13)5-10(14)11(8)7(2)12-6/h3-5,13-14H,1-2H3", "name": "1,3-Dimethyl-6,8-isoquinolinediol", "names": [ "1,3-Dimethyl-6,8-isoquinolinediol" ] }, { "compound_id": "C12346", "inchi": "InChI=1S/C11H11NO/c1-7-6-9-4-3-5-10(13)11(9)8(2)12-7/h3-6,13H,1-2H3", "name": "1,3-Dimethyl-8-isoquinolinol", "names": [ "1,3-Dimethyl-8-isoquinolinol" ] }, { "compound_id": "C12347", "inchi": "InChI=1S/C5H13O13P3/c6-3-1-5(7)16-4(3)2-15-20(11,12)18-21(13,14)17-19(8,9)10/h3-7H,1-2H2,(H,11,12)(H,13,14)(H2,8,9,10)/t3-,4+,5+/m0/s1", "name": "Deoxyribose triphosphate", "names": [ "Deoxyribose triphosphate" ] }, { "compound_id": "C12348", "inchi": null, "name": "3,5,7,9,11,13,15-Heptaoxo-hexadecanoyl-[acp]", "names": [ "3,5,7,9,11,13,15-Heptaoxo-hexadecanoyl-[acp]" ] }, { "compound_id": "C12349", "inchi": null, "name": "3,5,7,9,11,13,15-Heptaoxo-heptadecanoyl-[acp]", "names": [ "3,5,7,9,11,13,15-Heptaoxo-heptadecanoyl-[acp]" ] }, { "compound_id": "C12350", "inchi": null, "name": "3,5,7,9,11,13,15-Heptaoxo-octadecanoyl-[acp]", "names": [ "3,5,7,9,11,13,15-Heptaoxo-octadecanoyl-[acp]" ] }, { "compound_id": "C12351", "inchi": null, "name": "3,5,7,9,11,13,15,17-Octaoxo-octadecanoyl-[acp]", "names": [ "3,5,7,9,11,13,15,17-Octaoxo-octadecanoyl-[acp]" ] }, { "compound_id": "C12352", "inchi": null, "name": "3,5,7,9,11,13,15,17-Octaoxo-nonadecanoyl-[acp]", "names": [ "3,5,7,9,11,13,15,17-Octaoxo-nonadecanoyl-[acp]" ] }, { "compound_id": "C12353", "inchi": null, "name": "3,5,7,9,11,13,15,17-Octaoxo-eicosanoyl-[acp]", "names": [ "3,5,7,9,11,13,15,17-Octaoxo-eicosanoyl-[acp]" ] }, { "compound_id": "C12354", "inchi": null, "name": "3,5,7,9,11,13,15,17,19-Nonaoxo-eicosanoyl-[acp]", "names": [ "3,5,7,9,11,13,15,17,19-Nonaoxo-eicosanoyl-[acp]" ] }, { "compound_id": "C12355", "inchi": null, "name": "3,5,7,9,11,13,15,17,19-Nonaoxo-henicosanoyl-[acp]", "names": [ "3,5,7,9,11,13,15,17,19-Nonaoxo-henicosanoyl-[acp]" ] }, { "compound_id": "C12356", "inchi": null, "name": "3,5,7,9,11,13,15,17,19-Nonaoxo-docosanoyl-[acp]", "names": [ "3,5,7,9,11,13,15,17,19-Nonaoxo-docosanoyl-[acp]" ] }, { "compound_id": "C12357", "inchi": null, "name": "3,5,7,11,13,15-Heptaoxo-9-hydroxy-hexadecanoyl-[acp]", "names": [ "3,5,7,11,13,15-Heptaoxo-9-hydroxy-hexadecanoyl-[acp]" ] }, { "compound_id": "C12358", "inchi": null, "name": "3,5,7,11,13,15-Heptaoxo-9-hydroxy-heptadecanoyl-[acp]", "names": [ "3,5,7,11,13,15-Heptaoxo-9-hydroxy-heptadecanoyl-[acp]" ] }, { "compound_id": "C12359", "inchi": null, "name": "3,5,7,11,13,15-Heptaoxo-9-hydroxy-octadecanoyl-[acp]", "names": [ "3,5,7,11,13,15-Heptaoxo-9-hydroxy-octadecanoyl-[acp]" ] }, { "compound_id": "C12360", "inchi": null, "name": "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp]", "names": [ "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp]" ] }, { "compound_id": "C12361", "inchi": null, "name": "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-nonadecanoyl-[acp]", "names": [ "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-nonadecanoyl-[acp]" ] }, { "compound_id": "C12362", "inchi": null, "name": "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-eicosanoyl-[acp]", "names": [ "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-eicosanoyl-[acp]" ] }, { "compound_id": "C12363", "inchi": null, "name": "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-eicosanoyl-[acp]", "names": [ "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-eicosanoyl-[acp]" ] }, { "compound_id": "C12364", "inchi": null, "name": "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-henicosanoyl-[acp]", "names": [ "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-henicosanoyl-[acp]" ] }, { "compound_id": "C12365", "inchi": null, "name": "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-docosanoyl-[acp]", "names": [ "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-docosanoyl-[acp]" ] }, { "compound_id": "C12366", "inchi": "InChI=1S/C20H16O8/c1-8(21)16-10(4-13(23)7-15(25)26)2-9-3-11-5-12(22)6-14(24)17(11)20(28)18(9)19(16)27/h2-6,22-24,27-28H,7H2,1H3,(H,25,26)/b13-4+", "name": "Tetracenomycin F2", "names": [ "Tcm F2", "Tetracenomycin F2" ] }, { "compound_id": "C12367", "inchi": "InChI=1S/C20H14O7/c1-7-14-10(5-12(22)15(7)20(26)27)3-8-2-9-4-11(21)6-13(23)16(9)19(25)17(8)18(14)24/h3-6,21-24H,2H2,1H3,(H,26,27)", "name": "Tetracenomycin F1", "names": [ "Tetracenomycin F1" ] }, { "compound_id": "C12368", "inchi": "InChI=1S/C20H12O8/c1-6-13-7(3-11(22)14(6)20(27)28)2-9-16(18(13)25)19(26)15-10(17(9)24)4-8(21)5-12(15)23/h2-5,21-23,25H,1H3,(H,27,28)", "name": "Tetracenomycin D3", "names": [ "Tetracenomycin D3" ] }, { "compound_id": "C12369", "inchi": "InChI=1S/C21H14O8/c1-7-14-8(4-12(22)15(7)21(27)28)3-10-17(19(14)25)20(26)16-11(18(10)24)5-9(29-2)6-13(16)23/h3-6,22-23,25H,1-2H3,(H,27,28)", "name": "Tetracenomycin B3", "names": [ "Tetracenomycin B3" ] }, { "compound_id": "C12370", "inchi": "InChI=1S/C22H16O8/c1-8-15-9(5-14(30-3)16(8)22(27)28)4-11-18(20(15)25)21(26)17-12(19(11)24)6-10(29-2)7-13(17)23/h4-7,23,25H,1-3H3,(H,27,28)", "name": "Tetracenomycin E", "names": [ "Tetracenomycin E" ] }, { "compound_id": "C12371", "inchi": "InChI=1S/C23H18O8/c1-9-16-10(6-15(30-3)17(9)23(28)31-4)5-12-19(21(16)26)22(27)18-13(20(12)25)7-11(29-2)8-14(18)24/h5-8,24,26H,1-4H3", "name": "Tetracenomycin A2", "names": [ "Tetracenomycin A2" ] }, { "compound_id": "C12372", "inchi": "InChI=1S/C19H16O7/c1-19(26)6-9(21)2-7-3-10-14(18(25)15(7)19)17(24)13-11(16(10)23)4-8(20)5-12(13)22/h3-5,9,20-22,25-26H,2,6H2,1H3", "name": "Tetracenomycin M", "names": [ "Tetracenomycin M" ] }, { "compound_id": "C12373", "inchi": "InChI=1S/C21H16O7/c1-8-15-11(6-13(23)16(8)21(27)28-2)4-9-3-10-5-12(22)7-14(24)17(10)20(26)18(9)19(15)25/h4-7,22-25H,3H2,1-2H3", "name": "Tetracenomycin F1 methylester", "names": [ "Tetracenomycin F1 methylester" ] }, { "compound_id": "C12374", "inchi": "InChI=1S/C19H14O5/c1-8-2-12(20)5-10-3-9-4-11-6-13(21)7-14(22)16(11)19(24)17(9)18(23)15(8)10/h2-3,5-7,20-23H,4H2,1H3", "name": "Decarboxytetracenomycin F1", "names": [ "Decarboxytetracenomycin F1" ] }, { "compound_id": "C12375", "inchi": "InChI=1S/C21H14O8/c1-7-14-8(4-12(23)15(7)21(28)29-2)3-10-17(19(14)26)20(27)16-11(18(10)25)5-9(22)6-13(16)24/h3-6,22-24,26H,1-2H3", "name": "Tetracenomycin D3 methylester", "names": [ "Tetracenomycin D3 methylester" ] }, { "compound_id": "C12376", "inchi": "InChI=1S/C19H12O6/c1-7-2-9(20)3-8-4-11-16(18(24)14(7)8)19(25)15-12(17(11)23)5-10(21)6-13(15)22/h2-6,20-22,24H,1H3", "name": "Tetracenomycin D1", "names": [ "Tetracenomycin D1" ] }, { "compound_id": "C12377", "inchi": "InChI=1S/C20H14O6/c1-8-3-10(21)4-9-5-12-17(19(24)15(8)9)20(25)16-13(18(12)23)6-11(26-2)7-14(16)22/h3-7,21-22,24H,1-2H3", "name": "Tetracenomycin B1", "names": [ "Tetracenomycin B1" ] }, { "compound_id": "C12378", "inchi": "InChI=1S/C22H16O8/c1-8-15-9(5-13(23)16(8)22(28)30-3)4-11-18(20(15)26)21(27)17-12(19(11)25)6-10(29-2)7-14(17)24/h4-7,23-24,26H,1-3H3", "name": "Tetracenomycin B2", "names": [ "8-Demethyltetracenomycin A2", "Tetracenomycin B2" ] }, { "compound_id": "C12379", "inchi": "InChI=1S/C22H18O11/c1-7-13-8(5-10(23)14(7)20(29)33-3)4-9-15(16(13)25)19(28)21(30)12(24)6-11(32-2)18(27)22(21,31)17(9)26/h4-6,18,23,25,27,30-31H,1-3H3/t18-,21-,22-/m1/s1", "name": "8-Demethyltetracenomycin C", "names": [ "8-Demethyltetracenomycin C" ] }, { "compound_id": "C12380", "inchi": "InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1", "name": "Tetracenomycin X", "names": [ "Tetracenomycin X" ] }, { "compound_id": "C12381", "inchi": "InChI=1S/C32H36O15/c1-12-19-14(10-16(20(12)29(38)44-7)47-30-25(43-6)24(42-5)23(41-4)13(2)46-30)9-15-21(22(19)34)28(37)32(45-8)18(33)11-17(40-3)27(36)31(32,39)26(15)35/h9-11,13,23-25,27,30,34,36,39H,1-8H3/t13-,23-,24+,25+,27+,30-,31+,32+/m0/s1", "name": "Elloramycin A", "names": [ "Elloramycin A" ] }, { "compound_id": "C12382", "inchi": "InChI=1S/C20H16O9/c1-6(21)12-17(26)15(24)10-4-8-2-7-3-9(22)5-11(23)13(7)16(25)14(8)19(28)20(10,29)18(12)27/h2-3,5,10,15,22-26,29H,4H2,1H3/t10-,15-,20+/m0/s1", "name": "4-Demethylpremithramycinone", "names": [ "4-Demethylpremithramycinone" ] }, { "compound_id": "C12383", "inchi": "InChI=1S/C21H18O9/c1-7(22)13-17(26)18(30-2)11-5-9-3-8-4-10(23)6-12(24)14(8)16(25)15(9)20(28)21(11,29)19(13)27/h3-4,6,11,18,23-26,29H,5H2,1-2H3/t11-,18-,21+/m0/s1", "name": "Premithramycinone", "names": [ "Premithramycinone" ] }, { "compound_id": "C12384", "inchi": "InChI=1S/C27H28O12/c1-9(28)18-23(34)24(37-3)14-6-12-4-11-5-13(29)7-15(30)19(11)22(33)20(12)26(36)27(14,25(18)35)39-17-8-16(31)21(32)10(2)38-17/h4-5,7,10,14,16-17,21,24,29-34H,6,8H2,1-3H3/t10-,14+,16-,17?,21-,24+,27?/m1/s1", "name": "Premithramycin A1", "names": [ "Premithramycin A1" ] }, { "compound_id": "C12385", "inchi": "InChI=1S/C33H38O15/c1-11(34)23-29(41)30(44-4)17-7-15-5-14-6-16(35)8-18(36)24(14)28(40)25(15)32(43)33(17,31(23)42)48-22-10-20(27(39)13(3)46-22)47-21-9-19(37)26(38)12(2)45-21/h5-6,8,12-13,17,19-22,26-27,30,35-41H,7,9-10H2,1-4H3/t12-,13-,17+,19-,20-,21+,22?,26+,27-,30+,33?/m1/s1", "name": "Premithramycin A2'", "names": [ "Premithramycin A2'" ] }, { "compound_id": "C12386", "inchi": "InChI=1S/C40H50O18/c1-14(41)28-34(47)35(52-6)21-9-19-7-18-8-20(42)10-22(43)29(18)33(46)30(19)38(50)40(21,37(28)49)58-26-12-24(32(45)16(3)54-26)56-25-11-23(31(44)15(2)53-25)57-27-13-39(5,51)36(48)17(4)55-27/h7-8,10,15-17,21,23-27,31-32,35-36,42-48,51H,9,11-13H2,1-6H3/t15-,16-,17-,21+,23-,24-,25+,26?,27+,31+,32-,35+,36-,39+,40?/m1/s1", "name": "Premithramycin A3'", "names": [ "Premithramycin A3'" ] }, { "compound_id": "C12387", "inchi": "InChI=1S/C41H52O18/c1-14-22(43)10-20-8-19-9-21-36(53-7)35(48)28(15(2)42)38(50)41(21,39(51)30(19)34(47)29(20)31(14)44)59-26-12-24(33(46)17(4)55-26)57-25-11-23(32(45)16(3)54-25)58-27-13-40(6,52)37(49)18(5)56-27/h8,10,16-18,21,23-27,32-33,36-37,43-49,52H,9,11-13H2,1-7H3/t16-,17-,18-,21+,23-,24-,25+,26?,27+,32+,33-,36+,37-,40+,41?/m1/s1", "name": "Premithramycin A3", "names": [ "Premithramycin A3" ] }, { "compound_id": "C12388", "inchi": "InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36?,37+,42-,43-,44+,45-,48+,49-,52+,53?/m1/s1", "name": "Premithramycin B", "names": [ "Premithramycin B" ] }, { "compound_id": "C12389", "inchi": "InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36?,37+,41+,42-,43-,44-,45+,49+,50?,51-,52+/m1/s1", "name": "Mithramycin", "names": [ "Mithramycin", "Plicamycin" ] }, { "compound_id": "C12390", "inchi": "InChI=1S/C19H12O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-7,20-22H,1H3", "name": "Dehydrorabelomycin", "names": [ "Dehydrorabelomycin" ] }, { "compound_id": "C12391", "inchi": "InChI=1S/C18H10O5/c1-7-5-9-12(11(20)6-7)14-15(17(9)22)18(23)13-8(16(14)21)3-2-4-10(13)19/h2-6,19-20H,1H3", "name": "Kinobscurinone", "names": [ "4,9-Dihydroxy-2-methyl-11H-benzo[b]fluorene-5,10,11-trione", "Kinobscurinone" ] }, { "compound_id": "C12392", "inchi": "InChI=1S/C18H13NO4/c1-7-5-9-12(11(21)6-7)14-15(16(9)19)18(23)13-8(17(14)22)3-2-4-10(13)20/h2-6,16,20-21H,19H2,1H3", "name": "Stealthin C", "names": [ "Stealthin C" ] }, { "compound_id": "C12393", "inchi": "InChI=1S/C18H10N2O4/c1-7-5-9-12(11(22)6-7)14-15(16(9)20-19)18(24)13-8(17(14)23)3-2-4-10(13)21/h2-6,21-22H,1H3", "name": "Prekinamycin", "names": [ "Prekinamycin" ] }, { "compound_id": "C12394", "inchi": "InChI=1S/C22H18N2O9/c1-7(25)32-20-15-13(19(30)21(22(20,3)31)33-8(2)26)12-14(16(15)24-23)18(29)11-9(17(12)28)5-4-6-10(11)27/h4-6,19-21,27,30-31H,1-3H3/t19-,20+,21+,22+/m0/s1", "name": "Kinamycin D", "names": [ "Kinamycin D" ] }, { "compound_id": "C12395", "inchi": "InChI=1S/C30H31NO9/c1-5-13(3)24-30(37)40-29-16-9-12(2)10-17(32)21(16)23-25(31(24)29)28(36)22-15(27(23)35)7-6-8-19(22)39-20-11-18(33)26(34)14(4)38-20/h6-10,13-14,18,20,24,26,29,32-34H,5,11H2,1-4H3/t13-,14-,18+,20-,24-,26-,29-/m0/s1", "name": "Jadomycin B", "names": [ "Jadomycin B" ] }, { "compound_id": "C12396", "inchi": "InChI=1S/C19H14O5/c1-19(24)7-9-5-6-11-16(14(9)13(21)8-19)18(23)10-3-2-4-12(20)15(10)17(11)22/h2-6,20,24H,7-8H2,1H3", "name": "Tetrangomycin", "names": [ "Tetrangomycin" ] }, { "compound_id": "C12397", "inchi": "InChI=1S/C19H12O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-8,20-21H,1H3", "name": "Tetrangulol", "names": [ "Tetrangulol" ] }, { "compound_id": "C12398", "inchi": "InChI=1S/C20H14O4/c1-10-8-11-6-7-13-18(16(11)14(21)9-10)20(23)12-4-3-5-15(24-2)17(12)19(13)22/h3-9,21H,1-2H3", "name": "8-O-Methyltetrangulol", "names": [ "8-O-Methyltetrangulol" ] }, { "compound_id": "C12399", "inchi": "InChI=1S/C19H12O5/c20-8-9-6-10-4-5-12-17(15(10)14(22)7-9)19(24)11-2-1-3-13(21)16(11)18(12)23/h1-7,20-22H,8H2", "name": "19-Hydroxytetrangulol", "names": [ "19-Hydroxytetrangulol" ] }, { "compound_id": "C12400", "inchi": "InChI=1S/C20H14O5/c1-25-15-4-2-3-12-17(15)19(23)13-6-5-11-7-10(9-21)8-14(22)16(11)18(13)20(12)24/h2-8,21-22H,9H2,1H3", "name": "19-Hydroxy-8-O-methyltetrangulol", "names": [ "19-Hydroxy-8-O-methyltetrangulol" ] }, { "compound_id": "C12401", "inchi": "InChI=1S/C20H16O7/c1-27-12-4-2-3-9-14(12)19(25)16-15(17(9)23)13-10(18(24)20(16)26)5-8(7-21)6-11(13)22/h2-6,18,20-22,24,26H,7H2,1H3/t18-,20-/m1/s1", "name": "PD116740", "names": [ "PD116740" ] }, { "compound_id": "C12402", "inchi": "InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1", "name": "Rabelomycin", "names": [ "Rabelomycin" ] }, { "compound_id": "C12403", "inchi": "InChI=1S/C25H24O9/c1-9-21(29)14(27)6-16(34-9)11-3-4-12-18(22(11)30)24(32)19-13(26)5-10-7-25(2,33)8-15(28)17(10)20(19)23(12)31/h3-5,9,14,16,21,26-27,29-30,33H,6-8H2,1-2H3/t9-,14-,16-,21-,25-/m1/s1", "name": "104-1", "names": [ "104-1" ] }, { "compound_id": "C12404", "inchi": "InChI=1S/C25H24O8/c1-10-21(28)15(26)7-17(33-10)12-5-6-14-20(22(12)29)24(31)13-4-3-11-8-25(2,32)9-16(27)18(11)19(13)23(14)30/h3-6,10,15,17,21,26,28-29,32H,7-9H2,1-2H3/t10-,15-,17-,21-,25-/m1/s1", "name": "Urdamycinone B", "names": [ "Urdamycinone B" ] }, { "compound_id": "C12405", "inchi": "InChI=1S/C31H34O10/c1-13-19(32)8-9-23(40-13)41-22-10-21(39-14(2)27(22)34)16-6-7-18-26(28(16)35)30(37)17-5-4-15-11-31(3,38)12-20(33)24(15)25(17)29(18)36/h4-7,13-14,19,21-23,27,32,34-35,38H,8-12H2,1-3H3/t13-,14+,19-,21+,22+,23-,27+,31+/m0/s1", "name": "100-1", "names": [ "100-1" ] }, { "compound_id": "C12406", "inchi": "InChI=1S/C37H44O13/c1-15-24(49-28-11-22(38)32(40)16(2)48-28)9-10-27(47-15)50-26-12-25(46-17(3)33(26)41)19-7-8-21-31(34(19)42)36(44)20-6-5-18-13-37(4,45)14-23(39)29(18)30(20)35(21)43/h5-8,15-17,22,24-28,32-33,38,40-42,45H,9-14H2,1-4H3/t15-,16+,17+,22+,24?,25+,26+,27-,28?,32+,33+,37+/m0/s1", "name": "Urdamycin B", "names": [ "Urdamycin B" ] }, { "compound_id": "C12407", "inchi": "InChI=1S/C25H24O9/c1-9-21(29)15(27)6-17(34-9)10-3-4-11-20(22(10)30)24(32)12-5-14(26)13-7-25(2,33)8-16(28)18(13)19(12)23(11)31/h3-5,9,15,17,21,26-27,29-30,33H,6-8H2,1-2H3/t9-,15-,17-,21-,25-/m1/s1", "name": "104-2", "names": [ "104-2" ] }, { "compound_id": "C12408", "inchi": "InChI=1S/C31H36O12/c1-13-18(32)6-7-22(42-13)43-31-21(34)11-29(3,39)12-30(31,40)9-8-17-24(31)28(38)16-5-4-15(26(36)23(16)27(17)37)20-10-19(33)25(35)14(2)41-20/h4-5,8-9,13-14,18-20,22,25,32-33,35-36,39-40H,6-7,10-12H2,1-3H3/t13-,14+,18-,19+,20+,22-,25+,29-,30-,31-/m0/s1", "name": "100-2", "names": [ "100-2" ] }, { "compound_id": "C12409", "inchi": "InChI=1S/C37H44O14/c1-14-24(50-28-10-22(39)32(41)15(2)49-28)7-8-27(48-14)51-26-11-25(47-16(3)33(26)42)17-5-6-18-31(34(17)43)36(45)19-9-21(38)20-12-37(4,46)13-23(40)29(20)30(19)35(18)44/h5-6,9,14-16,22,24-28,32-33,38-39,41-43,46H,7-8,10-13H2,1-4H3/t14-,15+,16+,22+,24?,25+,26+,27-,28?,32+,33+,37+/m0/s1", "name": "124-1", "names": [ "124-1" ] }, { "compound_id": "C12410", "inchi": "InChI=1S/C25H28O11/c1-9-19(29)12(26)5-14(36-9)10-3-4-11-16(20(10)30)22(32)17-13(27)6-24(34)8-23(2,33)7-15(28)25(24,35)18(17)21(11)31/h3-4,9,12-14,19,26-27,29-30,33-35H,5-8H2,1-2H3/t9-,12-,13-,14-,19-,23+,24+,25+/m1/s1", "name": "Urdamycinone F", "names": [ "Urdamycinone F" ] }, { "compound_id": "C12411", "inchi": "InChI=1S/C43H58O18/c1-17-23(44)8-10-31(56-17)61-43-29(47)15-41(5,53)16-42(43,54)14-25(46)34-35(43)39(51)22-7-6-21(38(50)33(22)40(34)52)27-13-28(37(49)20(4)55-27)60-30-11-9-26(18(2)57-30)59-32-12-24(45)36(48)19(3)58-32/h6-7,17-20,23-28,30-32,36-37,44-46,48-50,53-54H,8-16H2,1-5H3/t17-,18-,19+,20+,23-,24+,25+,26?,27+,28+,30-,31-,32?,36+,37+,41-,42-,43-/m0/s1", "name": "Urdamycin F", "names": [ "Urdamycin F" ] }, { "compound_id": "C12412", "inchi": "InChI=1S/C25H26O10/c1-10-19(28)14(26)7-15(35-10)11-3-4-12-17(20(11)29)21(30)13-5-6-24(33)9-23(2,32)8-16(27)25(24,34)18(13)22(12)31/h3-6,10,14-15,19,26,28-29,32-34H,7-9H2,1-2H3/t10-,14-,15-,19-,23+,24+,25+/m1/s1", "name": "Aquayamycin", "names": [ "Aquayamycin" ] }, { "compound_id": "C12413", "inchi": "InChI=1S/C43H56O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25-29,31-33,36-37,44-45,47-49,52-53H,8-11,14-17H2,1-5H3/t18-,19-,20+,21+,25-,26+,27?,28+,29+,31-,32-,33?,36+,37+,41-,42-,43-/m0/s1", "name": "Urdamycin A", "names": [ "Urdamycin A" ] }, { "compound_id": "C12414", "inchi": "InChI=1S/C37H46O14/c1-16-22(38)7-9-27(48-16)50-25-13-24(47-18(3)31(25)41)19-5-6-20-29(32(19)42)33(43)21-11-12-36(46)15-35(4,45)14-26(40)37(36,30(21)34(20)44)51-28-10-8-23(39)17(2)49-28/h5-6,11-12,16-18,22-25,27-28,31,38-39,41-42,45-46H,7-10,13-15H2,1-4H3/t16-,17-,18+,22-,23-,24+,25+,27-,28-,31+,35-,36-,37-/m0/s1", "name": "Urdamycin G", "names": [ "Aggreticin", "OM 4842", "Urdamycin G" ] }, { "compound_id": "C12415", "inchi": "InChI=1S/C21H16O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,23,27H,6,8H2,1-2H3", "name": "Nogalonic acid methyl ester", "names": [ "NAME", "Nogalonic acid methyl ester" ] }, { "compound_id": "C12416", "inchi": "InChI=1S/C20H14O8/c1-8(21)5-13(23)15-9(7-14(24)25)6-11-17(19(15)27)20(28)16-10(18(11)26)3-2-4-12(16)22/h2-4,6,22,27H,5,7H2,1H3,(H,24,25)", "name": "Nogalonic acid", "names": [ "Nogalonic acid" ] }, { "compound_id": "C12417", "inchi": "InChI=1S/C21H16O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,16,22,26,28H,7H2,1-2H3/t16?,21-/m1/s1", "name": "Auraviketone", "names": [ "Auraviketone" ] }, { "compound_id": "C12418", "inchi": "InChI=1S/C21H18O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,9,22-23,27H,6,8H2,1-2H3", "name": "Dihydro-NAME", "names": [ "Dihydro-NAME", "Dihydro-nogalonic acid methyl ester" ] }, { "compound_id": "C12419", "inchi": "InChI=1S/C21H18O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,12,16,22-23,26,28H,7H2,1-2H3/t12-,16-,21+/m0/s1", "name": "Auramycinone", "names": [ "Auramycinone" ] }, { "compound_id": "C12420", "inchi": "InChI=1S/C21H18O7/c1-2-13(22)9-15(24)18-12(8-16(25)26)7-11-6-10-4-3-5-14(23)17(10)20(27)19(11)21(18)28/h3-5,7,23,28H,2,6,8-9H2,1H3,(H,25,26)", "name": "12-Deoxyaklanonic acid", "names": [ "12-Deoxyaklanonic acid" ] }, { "compound_id": "C12421", "inchi": "InChI=1S/C21H16O8/c1-2-10(22)8-14(24)16-9(7-15(25)26)6-12-18(20(16)28)21(29)17-11(19(12)27)4-3-5-13(17)23/h3-6,23,28H,2,7-8H2,1H3,(H,25,26)", "name": "Aklanonic acid", "names": [ "Aklanonic acid" ] }, { "compound_id": "C12422", "inchi": "InChI=1S/C22H18O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,24,28H,3,8-9H2,1-2H3", "name": "Aklanonic acid methyl ester", "names": [ "AAME", "Aklanonic acid methyl ester" ] }, { "compound_id": "C12423", "inchi": "InChI=1S/C22H18O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,17,23,27,29H,3,8H2,1-2H3/t17-,22+/m0/s1", "name": "Aklaviketone", "names": [ "Aklaviketone" ] }, { "compound_id": "C12424", "inchi": "InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1", "name": "Aklavinone", "names": [ "Aklavinone" ] }, { "compound_id": "C12425", "inchi": "InChI=1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3/t10-,16-,22+/m0/s1", "name": "epsilon-Rhodomycinone", "names": [ "Rhodomycinone", "epsilon-Rhodomycinone" ] }, { "compound_id": "C12426", "inchi": "InChI=1S/C28H31NO11/c1-4-28(37)9-14(40-15-8-12(29)22(31)10(2)39-15)17-18(21(28)27(36)38-3)26(35)19-20(25(17)34)24(33)16-11(23(19)32)6-5-7-13(16)30/h5-7,10,12,14-15,21-22,30-31,34-35,37H,4,8-9,29H2,1-3H3/t10-,12-,14?,15?,21-,22+,28+/m0/s1", "name": "Rhodomycin D", "names": [ "Rhodomycin D" ] }, { "compound_id": "C12427", "inchi": "InChI=1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1", "name": "10-Carboxy-13-deoxycarminomycin", "names": [ "10-Carboxy-13-deoxycarminomycin", "D 788-1" ] }, { "compound_id": "C12428", "inchi": "InChI=1S/C26H29NO9/c1-3-26(34)8-12-18(15(9-26)36-16-7-13(27)21(29)10(2)35-16)25(33)20-19(23(12)31)22(30)11-5-4-6-14(28)17(11)24(20)32/h4-6,10,13,15-16,21,28-29,31,33-34H,3,7-9,27H2,1-2H3/t10-,13-,15-,16-,21+,26-/m0/s1", "name": "13-Deoxycarminomycin", "names": [ "13-Deoxycarminomycin" ] }, { "compound_id": "C12429", "inchi": "InChI=1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/t11-,14-,16-,17-,22+,27-/m0/s1", "name": "13-Deoxydaunorubicin", "names": [ "13-Deoxydaunorubicin", "Feudomycin A" ] }, { "compound_id": "C12430", "inchi": "InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11+,14-,16-,17-,22+,27-/m0/s1", "name": "13-Dihydrodaunorubicin", "names": [ "13-Dihydrodaunorubicin" ] }, { "compound_id": "C12431", "inchi": "InChI=1S/C26H29NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9-10,13,15-16,21,28-30,32,34-35H,6-8,27H2,1-2H3/t9-,10+,13-,15-,16-,21+,26-/m0/s1", "name": "13-Dihydrocarminomycin", "names": [ "13-Dihydrocarminomycin" ] }, { "compound_id": "C12432", "inchi": "InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16-,21+,26-/m0/s1", "name": "Carminomycin", "names": [ "Carminomycin" ] }, { "compound_id": "C12433", "inchi": "InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11-,14-,16-,17-,22+,27-/m0/s1", "name": "(13S)-13-Dihydrodaunorubicin", "names": [ "(13S)-13-Dihydrodaunorubicin" ] }, { "compound_id": "C12434", "inchi": "InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1", "name": "(S)-DNPA", "names": [ "(S)-DNPA", "4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho[2,3-c]pyran-3-acetic acid" ] }, { "compound_id": "C12435", "inchi": "InChI=1S/C16H16O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-4,8,11,17H,5-7H2,1H3,(H,18,19)/t8-,11+/m1/s1", "name": "6-Deoxydihydrokalafungin", "names": [ "6-Deoxydihydrokalafungin", "DDHK" ] }, { "compound_id": "C12436", "inchi": "InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m1/s1", "name": "Dihydrokalafungin", "names": [ "DHK", "Dihydrokalafungin" ] }, { "compound_id": "C12437", "inchi": "InChI=1S/C24H27NO8/c1-9-17-19(24-15(31-9)8-16(26)33-24)22(29)12-6-5-11(21(28)18(12)23(17)30)14-7-13(25(3)4)20(27)10(2)32-14/h5-6,9-10,13-15,20,24,27-28H,7-8H2,1-4H3/t9-,10-,13-,14-,15-,20-,24+/m1/s1", "name": "Medermycin", "names": [ "Medermycin" ] }, { "compound_id": "C12439", "inchi": null, "name": "Phenanthroviridone aglycon", "names": [ "Phenanthroviridone aglycon" ] }, { "compound_id": "C12440", "inchi": "InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8-/m0/s1", "name": "Trachelanthamidine", "names": [ "Trachelanthamidine" ] }, { "compound_id": "C12441", "inchi": null, "name": "Nonaketamide", "names": [ "18-Carbamoyl-3,5,7,9,11,13,15,17-octaoxo-octadecanoyl-[acp]", "Nonaketamide" ] }, { "compound_id": "C12442", "inchi": null, "name": "C-9 Reduced nonaketamide", "names": [ "18-Carbamoyl-9-hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp]", "C-9 Reduced nonaketamide" ] }, { "compound_id": "C12443", "inchi": "InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-14,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9-,10-,11+,12+,13+,14+/m0/s1", "name": "dTDP-beta-L-daunosamine", "names": [ "dTDP-beta-L-daunosamine" ] }, { "compound_id": "C12444", "inchi": "InChI=1S/C17H28N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-14,20-21,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10+,11-,12-,13-,14-,17+/m1/s1", "name": "dTDP-D-mycarose", "names": [ "dTDP-D-mycarose" ] }, { "compound_id": "C12446", "inchi": "InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-,14+/m1/s1", "name": "dTDP-D-oliose", "names": [ "dTDP-2,6-dideoxy-D-galactose", "dTDP-D-oliose" ] }, { "compound_id": "C12447", "inchi": "InChI=1S/C16H26N2O13P2/c1-8-6-18(16(22)17-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(19)9(2)28-14/h6,9-14,19-20H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/t9-,10-,11-,12+,13+,14+/m0/s1", "name": "dTDP-beta-L-rhodinose", "names": [ "dTDP-beta-L-rhodinose" ] }, { "compound_id": "C12448", "inchi": "InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6?,7?,8-,9+/m0/s1", "name": "Ecgonine methyl ester", "names": [ "Ecgonine methyl ester", "Methyl ecgonine" ] }, { "compound_id": "C12449", "inchi": "InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8-/m0/s1", "name": "Pseudoecgonine", "names": [ "Pseudoecgonine" ] }, { "compound_id": "C12450", "inchi": "InChI=1S/C30H49N8O18P3S/c1-30(2,24(42)27(43)33-7-6-19(40)32-8-9-60-29(44)20-16-5-4-15(37(16)3)10-17(20)39)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(41)28(54-18)38-14-36-21-25(31)34-13-35-26(21)38/h13-18,20,22-24,28,39,41-42H,4-12H2,1-3H3,(H,32,40)(H,33,43)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t15?,16?,17-,18+,20-,22+,23+,24?,28+/m0/s1", "name": "Pseudoecgonyl-CoA", "names": [ "Pseudoecgonyl-CoA" ] }, { "compound_id": "C12451", "inchi": "InChI=1S/C19H16O7/c1-19(26,8-13(21)22)7-9-5-6-11-15(16(9)23)18(25)10-3-2-4-12(20)14(10)17(11)24/h2-6,20,23,26H,7-8H2,1H3,(H,21,22)/t19-/m1/s1", "name": "Fridamycin E", "names": [ "Fridamycin E" ] }, { "compound_id": "C12452", "inchi": "InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3", "name": "Acetyltropine", "names": [ "3-Acetyltropine", "Acetyltropine" ] }, { "compound_id": "C12453", "inchi": "InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3", "name": "Acetylpseudotropine", "names": [ "Acetylpseudotropine" ] }, { "compound_id": "C12454", "inchi": "InChI=1S/C15H17N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-4,6-7,10-12,15,18H,5,8-9H2", "name": "Anatalline", "names": [ "Anatalline" ] }, { "compound_id": "C12455", "inchi": "InChI=1S/C5H11NO/c6-4-2-1-3-5-7/h5H,1-4,6H2", "name": "5-Aminopentanal", "names": [ "5-Aminopentanal" ] }, { "compound_id": "C12456", "inchi": "InChI=1S/C14H16O4/c1-9(2)3-5-11-7-10(4-6-12(11)15)8-13(16)14(17)18/h3-4,6-7,15H,5,8H2,1-2H3,(H,17,18)", "name": "3-Dimethylallyl-4-hydroxyphenylpyruvate", "names": [ "3-Dimethylallyl-4-hydroxyphenylpyruvate" ] }, { "compound_id": "C12457", "inchi": "InChI=1S/C13H16O4/c1-8(2)3-4-9-7-10(5-6-11(9)14)12(15)13(16)17/h3,5-7,12,14-15H,4H2,1-2H3,(H,16,17)", "name": "3-Dimethylallyl-4-hydroxymandelic acid", "names": [ "3-Dimethylallyl-4-hydroxymandelic acid" ] }, { "compound_id": "C12458", "inchi": "InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15)", "name": "3-Dimethylallyl-4-hydroxybenzoate", "names": [ "3-Dimethylallyl-4-hydroxybenzoate" ] }, { "compound_id": "C12459", "inchi": "InChI=1S/C12H14O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h3-4,6-8,14H,5H2,1-2H3", "name": "3-Dimethylallyl-4-hydroxybenzaldehyde", "names": [ "3-Dimethylallyl-4-hydroxybenzaldehyde" ] }, { "compound_id": "C12460", "inchi": null, "name": "3-Dimethylallyl-beta-hydroxy-L-tyrosyl-[pcp]", "names": [ "3-Dimethylallyl-beta-hydroxy-L-tyrosyl-[pcp]" ] }, { "compound_id": "C12461", "inchi": null, "name": "L-Tyrosyl-[pcp]", "names": [ "L-Tyrosyl-[pcp]" ] }, { "compound_id": "C12462", "inchi": null, "name": "beta-Hydroxy-L-tyrosyl-[pcp]", "names": [ "beta-Hydroxy-L-tyrosyl-[pcp]" ] }, { "compound_id": "C12463", "inchi": null, "name": "beta-Keto-L-tyrosyl-[pcp]", "names": [ "beta-Keto-L-tyrosyl-[pcp]" ] }, { "compound_id": "C12464", "inchi": null, "name": "3-Methyl-beta-keto-L-tyrosyl-[pcp]", "names": [ "3-Methyl-beta-keto-L-tyrosyl-[pcp]" ] }, { "compound_id": "C12465", "inchi": null, "name": "2-Hydroxy-3-methyl-beta-keto-L-tyrosyl-[pcp]", "names": [ "2-Hydroxy-3-methyl-beta-keto-L-tyrosyl-[pcp]" ] }, { "compound_id": "C12466", "inchi": "InChI=1S/C10H9NO4/c1-4-6(12)3-2-5-8(13)7(11)10(14)15-9(4)5/h2-3,12-13H,11H2,1H3", "name": "3-Amino-4,7-dihydroxy-8-methylcoumarin", "names": [ "3-Amino-4,7-dihydroxy-8-methylcoumarin" ] }, { "compound_id": "C12467", "inchi": null, "name": "2-Hydroxy-beta-keto-L-tyrosyl-[pcp]", "names": [ "2-Hydroxy-beta-keto-L-tyrosyl-[pcp]" ] }, { "compound_id": "C12468", "inchi": "InChI=1S/C9H7NO4/c10-7-8(12)5-2-1-4(11)3-6(5)14-9(7)13/h1-3,11-12H,10H2", "name": "3-Amino-4,7-dihydroxycoumarin", "names": [ "3-Amino-4,7-dihydroxycoumarin" ] }, { "compound_id": "C12469", "inchi": "InChI=1S/C9H6ClNO4/c10-5-4(12)2-1-3-7(13)6(11)9(14)15-8(3)5/h1-2,12-13H,11H2", "name": "3-Amino-4,7-dihydroxy-8-chlorocoumarin", "names": [ "3-Amino-4,7-dihydroxy-8-chlorocoumarin" ] }, { "compound_id": "C12470", "inchi": null, "name": "L-Prolyl-[pcp]", "names": [ "L-Prolyl-[pcp]" ] }, { "compound_id": "C12471", "inchi": "InChI=1S/C21H18ClNO6/c1-10(2)3-4-11-9-12(5-7-14(11)24)20(27)23-17-18(26)13-6-8-15(25)16(22)19(13)29-21(17)28/h3,5-9,24-26H,4H2,1-2H3,(H,23,27)", "name": "Chlorobiocic acid", "names": [ "Chlorobiocic acid" ] }, { "compound_id": "C12472", "inchi": "InChI=1S/C28H30ClNO10/c1-12(2)5-6-13-11-14(7-9-16(13)31)25(36)30-19-20(32)15-8-10-17(18(29)23(15)39-26(19)37)38-27-22(34)21(33)24(35)28(3,4)40-27/h5,7-11,21-22,24,27,31-35H,6H2,1-4H3,(H,30,36)/t21-,22+,24+,27+/m0/s1", "name": "Novclobiocin 105", "names": [ "Novclobiocin 105" ] }, { "compound_id": "C12473", "inchi": "InChI=1S/C29H32ClNO10/c1-13(2)6-7-14-12-15(8-10-17(14)32)26(36)31-20-21(33)16-9-11-18(19(30)24(16)40-27(20)37)39-28-23(35)22(34)25(38-5)29(3,4)41-28/h6,8-12,22-23,25,28,32-35H,7H2,1-5H3,(H,31,36)/t22-,23+,25+,28+/m0/s1", "name": "Novclobiocin 104", "names": [ "Novclobiocin 104" ] }, { "compound_id": "C12474", "inchi": "InChI=1S/C22H21NO6/c1-11(2)4-5-13-10-14(6-8-17(13)25)21(27)23-18-19(26)15-7-9-16(24)12(3)20(15)29-22(18)28/h4,6-10,24-26H,5H2,1-3H3,(H,23,27)", "name": "Novobiocic acid", "names": [ "Novobiocic acid" ] }, { "compound_id": "C12475", "inchi": "InChI=1S/C29H33NO10/c1-13(2)6-7-15-12-16(8-10-18(15)31)26(36)30-20-21(32)17-9-11-19(14(3)24(17)39-27(20)37)38-28-23(34)22(33)25(35)29(4,5)40-28/h6,8-12,22-23,25,28,31-35H,7H2,1-5H3,(H,30,36)/t22-,23+,25+,28+/m0/s1", "name": "Desmethyldescarbamoylnovobiocin", "names": [ "Desmethyldescarbamoylnovobiocin" ] }, { "compound_id": "C12476", "inchi": "InChI=1S/C30H35NO10/c1-14(2)7-8-16-13-17(9-11-19(16)32)27(36)31-21-22(33)18-10-12-20(15(3)25(18)40-28(21)37)39-29-24(35)23(34)26(38-6)30(4,5)41-29/h7,9-13,23-24,26,29,32-35H,8H2,1-6H3,(H,31,36)/t23-,24+,26+,29+/m0/s1", "name": "Descarbamoylnovobiocin", "names": [ "Descarbamoylnovobiocin" ] }, { "compound_id": "C12477", "inchi": "InChI=1S/C7H7NO4/c1-3-4(6(9)10)2-8-5(3)7(11)12/h2,8H,1H3,(H,9,10)(H,11,12)", "name": "3-Methylpyrrole-2,4-dicarboxylic acid", "names": [ "3-Methylpyrrole-2,4-dicarboxylic acid" ] }, { "compound_id": "C12478", "inchi": "InChI=1S/C17H14N2O7/c1-6-9(16(23)24)5-18-11(6)15(22)19-12-13(21)8-3-4-10(20)7(2)14(8)26-17(12)25/h3-5,18,20-21H,1-2H3,(H,19,22)(H,23,24)", "name": "Coumeroic acid", "names": [ "Coumeroic acid" ] }, { "compound_id": "C12479", "inchi": "InChI=1S/C27H21N3O10/c1-9-14(24(35)29-18-20(33)12-4-6-15(31)10(2)22(12)39-26(18)37)8-28-17(9)25(36)30-19-21(34)13-5-7-16(32)11(3)23(13)40-27(19)38/h4-8,28,31-34H,1-3H3,(H,29,35)(H,30,36)", "name": "Coumermic acid", "names": [ "Coumermic acid" ] }, { "compound_id": "C12480", "inchi": "InChI=1S/C43H49N3O18/c1-15-20(36(53)45-24-26(47)18-10-12-21(16(2)32(18)61-38(24)55)59-40-30(51)28(49)34(57-8)42(4,5)63-40)14-44-23(15)37(54)46-25-27(48)19-11-13-22(17(3)33(19)62-39(25)56)60-41-31(52)29(50)35(58-9)43(6,7)64-41/h10-14,28-31,34-35,40-41,44,47-52H,1-9H3,(H,45,53)(H,46,54)/t28-,29-,30+,31+,34+,35+,40+,41+/m0/s1", "name": "Coumermycin D", "names": [ "Coumermycin D" ] }, { "compound_id": "C12481", "inchi": "InChI=1S/C17H28N2O15P2/c1-7-5-19(16(25)18-14(7)24)10-4-8(20)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(22)11(21)13(23)17(2,3)32-15/h5,8-13,15,20-23H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,18,24,25)/t8-,9+,10+,11-,12+,13+,15+/m0/s1", "name": "dTDP-5-dimethyl-L-lyxose", "names": [ "dTDP-5-dimethyl-L-lyxose" ] }, { "compound_id": "C12482", "inchi": null, "name": "2-Pyrroline-2-carboxyl-[pcp]", "names": [ "2-Pyrroline-2-carboxyl-[pcp]" ] }, { "compound_id": "C12483", "inchi": null, "name": "Pyrrole-2-carboxyl-[pcp]", "names": [ "Pyrrole-2-carboxyl-[pcp]" ] }, { "compound_id": "C12484", "inchi": null, "name": "5-Methyl-pyrrole-2-carboxyl-[pcp]", "names": [ "5-Methyl-pyrrole-2-carboxyl-[pcp]" ] }, { "compound_id": "C12486", "inchi": "InChI=1S/BH3O3/c2-1(3)4/h2-4H", "name": "Boric acid", "names": [ "Boric acid" ] }, { "compound_id": "C12490", "inchi": "InChI=1S/C23H27N.ClH/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20;/h5-15H,16-17H2,1-4H3;1H", "name": "Butenafine hydrochloride", "names": [ "Butenafine hydrochloride" ] }, { "compound_id": "C12491", "inchi": "InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H", "name": "Pyrrolnitrin", "names": [ "Pyrrolnitrin" ] }, { "compound_id": "C12505", "inchi": "InChI=1S/Mg.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2", "name": "Magnesium sulfate", "names": [ "Magnesium sulfate", "Magnesium sulfate heptahydrate" ] }, { "compound_id": "C12508", "inchi": "InChI=1S/C19H27NO3/c1-13(2)15-9-6-10-16(12-15)18(21)20-17(19(22)23)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17+/m0/s1", "name": "Nateglinide", "names": [ "Nateglinide" ] }, { "compound_id": "C12512", "inchi": "InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1", "name": "Eplerenone", "names": [ "Eplerenone" ] }, { "compound_id": "C12518", "inchi": "InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2", "name": "Glutaral", "names": [ "1,5-Pentanedial", "Glutaral", "Glutaraldehyde" ] }, { "compound_id": "C12525", "inchi": "InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1", "name": "5alpha-Androstan-3beta,17beta-diol", "names": [ "5alpha-Androstan-3beta,17beta-diol" ] }, { "compound_id": "C12531", "inchi": "InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3", "name": "Tazarotene", "names": [ "Tazarotene" ] }, { "compound_id": "C12535", "inchi": "InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7?", "name": "Tranexamic acid", "names": [ "Tranexamic acid" ] }, { "compound_id": "C12537", "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2", "name": "Benzyl benzoate", "names": [ "Benzyl benzoate" ] }, { "compound_id": "C12538", "inchi": "InChI=1S/ClH.H3N/h1H;1H3", "name": "Ammonium chloride", "names": [ "Ammonium chloride" ] }, { "compound_id": "C12539", "inchi": "InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1", "name": "Benzethonium chloride", "names": [ "Benzethonium chloride" ] }, { "compound_id": "C12540", "inchi": "InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)", "name": "Sulfamonomethoxine", "names": [ "Sulfamonomethoxine" ] }, { "compound_id": "C12552", "inchi": "InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3", "name": "Oxethazaine", "names": [ "Oxetacaine", "Oxethazaine" ] }, { "compound_id": "C12554", "inchi": "InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1", "name": "Potassium acetate", "names": [ "Potassium acetate" ] }, { "compound_id": "C12557", "inchi": "InChI=1S/C19H24N6O5S2.2ClH.H2O/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);2*1H;1H2/b23-12-;;;/t13-,17-;;;/m1.../s1", "name": "Cefepime hydrochloride", "names": [ "Cefepime dihydrochloride", "Cefepime hydrochloride" ] }, { "compound_id": "C12560", "inchi": "InChI=1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1", "name": "Saquinavir mesylate", "names": [ "Saquinavir mesilate", "Saquinavir mesylate" ] }, { "compound_id": "C12564", "inchi": "InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)", "name": "Aripiprazole", "names": [ "Aripiprazole" ] }, { "compound_id": "C12567", "inchi": "InChI=1S/Mg.O/q+2;-2", "name": "Magnesium oxide", "names": [ "Magnesium oxide" ] }, { "compound_id": "C12568", "inchi": "InChI=1S/K.H2O/h;1H2/q+1;/p-1", "name": "Potassium hydroxide", "names": [ "Potassium hydroxide" ] }, { "compound_id": "C12569", "inchi": "InChI=1S/Na.H2O/h;1H2/q+1;/p-1", "name": "Sodium hydroxide", "names": [ "Sodium hydroxide" ] }, { "compound_id": "C12570", "inchi": "InChI=1S/O.Zn/q-2;+2", "name": "Zinc oxide", "names": [ "Zinc oxide" ] }, { "compound_id": "C12574", "inchi": "InChI=1S/C16H20N2.C4H4O4/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;5-3(6)1-2-4(7)8/h3-10,12,15H,11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-", "name": "Pheniramine maleate", "names": [ "Pheniramine maleate" ] }, { "compound_id": "C12580", "inchi": "InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1", "name": "Trilostane", "names": [ "Trilostane" ] }, { "compound_id": "C12590", "inchi": "InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)", "name": "Pheneturide", "names": [ "Ethylphenacemide", "Pheneturide" ] }, { "compound_id": "C12599", "inchi": "InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1", "name": "Emtricitabine", "names": [ "Emtricitabine" ] }, { "compound_id": "C12600", "inchi": "InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H", "name": "Phenolsulfonphthalein", "names": [ "Phenol red", "Phenolsulfonphthalein" ] }, { "compound_id": "C12603", "inchi": "InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1", "name": "Sodium bicarbonate", "names": [ "Sodium bicarbonate", "Sodium hydrogencarbonate" ] }, { "compound_id": "C12609", "inchi": "InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1", "name": "Novobiocin sodium", "names": [ "Novobiocin sodium" ] }, { "compound_id": "C12616", "inchi": "InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)", "name": "Sulfamethopyrazine", "names": [ "Sulfalene", "Sulfamethopyrazine" ] }, { "compound_id": "C12621", "inchi": "InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+", "name": "trans-3-Hydroxycinnamate", "names": [ "(2E)-3-(3-Hydroxyphenyl)prop-2-enoate", "trans-3-Hydroxycinnamate" ] }, { "compound_id": "C12622", "inchi": "InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,7,9-10,13H,(H,11,12)/b5-4+/t7-,9+/m0/s1", "name": "cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol", "names": [ "(2E)-3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)prop-2-enoate", "cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol" ] }, { "compound_id": "C12623", "inchi": "InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)/b5-4+", "name": "trans-2,3-Dihydroxycinnamate", "names": [ "(2E)-3-(2,3-Dihydroxyphenyl)prop-2-enoate", "trans-2,3-Dihydroxycinnamate" ] }, { "compound_id": "C12624", "inchi": "InChI=1S/C9H8O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-5,11H,(H,12,13)(H,14,15)/b2-1+,5-4+,7-3-", "name": "2-Hydroxy-6-ketononatrienedioate", "names": [ "2-Hydroxy-6-ketononatrienedioate" ] }, { "compound_id": "C12625", "inchi": "InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1", "name": "Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)", "names": [ "Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)", "Biochanin A 7-O-beta-D-glucoside 6''-O-malonate" ] }, { "compound_id": "C12626", "inchi": "InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1", "name": "Kaempferol-3-O-galactoside", "names": [ "Kaempferol 3-O-beta-D-galactoside", "Kaempferol-3-O-galactoside", "Trifolin" ] }, { "compound_id": "C12627", "inchi": "InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", "name": "Apigenin 7-O-neohesperidoside", "names": [ "Apigenin 7-O-neohesperidoside", "Rhoifolin", "Rhoifoloside" ] }, { "compound_id": "C12628", "inchi": "InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26?,27?/m0/s1", "name": "Vitexin 2''-O-beta-L-rhamnoside", "names": [ "2''-O-Rhamnosylvitexin", "Vitexin 2''-O-beta-L-rhamnoside", "Vitexin 2''-rhamnoside" ] }, { "compound_id": "C12629", "inchi": "InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-16(38-2)8-14(32)18-13(31)7-15(40-25(18)19)11-3-5-12(30)6-4-11/h3-8,10,17,20-24,26-30,32-37H,9H2,1-2H3/t10-,17+,20-,21+,22+,23-,24+,26-,27?,28?/m0/s1", "name": "Isoswertisin 2''-rhamnoside", "names": [ "2''-O-Rhamnosylisoswertisin", "7-O-Methylvitexin 2''-O-beta-L-rhamnoside", "Isoswertisin 2''-rhamnoside" ] }, { "compound_id": "C12630", "inchi": "InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", "name": "Scolymoside", "names": [ "Luteolin 7-O-neohesperidoside", "Scolymoside", "Veronicastroside" ] }, { "compound_id": "C12631", "inchi": "InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)12-14(19)13-10(18)5-9(17)6-11(13)21-15(12)20/h1-6,12,15-18,20H", "name": "2-Hydroxy-2,3-dihydrogenistein", "names": [ "2-Hydroxy-2,3-dihydrogenistein" ] }, { "compound_id": "C12632", "inchi": "InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23?,26?,27+/m0/s1", "name": "Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]", "names": [ "Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]", "Luteolin 7-O-beta-D-diglucuronide" ] }, { "compound_id": "C12633", "inchi": "InChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3", "name": "Laricitrin", "names": [ "3'-O-Methylmyricetin", "Laricitrin" ] }, { "compound_id": "C12634", "inchi": "InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25?,26?,27+/m1/s1", "name": "Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside", "names": [ "Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside", "Kaempferol 3-O-beta-D-sophoroside", "Sophoraflavonoloside" ] }, { "compound_id": "C12635", "inchi": "InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29?,30?,31?,32+,33?/m1/s1", "name": "Kaempferol 3-sophorotrioside", "names": [ "Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside", "Kaempferol 3-sophorotrioside" ] }, { "compound_id": "C12636", "inchi": "InChI=1S/C42H46O23/c43-13-23-29(51)34(56)39(41(60-23)63-37-31(53)27-21(48)11-20(47)12-22(27)59-36(37)17-4-8-19(46)9-5-17)65-42-38(33(55)28(50)24(14-44)61-42)64-40-35(57)32(54)30(52)25(62-40)15-58-26(49)10-3-16-1-6-18(45)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38?,39?,40?,41+,42?/m1/s1", "name": "Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]", "names": [ "Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]" ] }, { "compound_id": "C12637", "inchi": "InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24?,25?,26+/m1/s1", "name": "Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]", "names": [ "Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]" ] }, { "compound_id": "C12638", "inchi": "InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1", "name": "Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)", "names": [ "Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)", "Quercetin 3-O-malonylglucoside", "Quercetin-3-O-(6''-malonylglucoside)" ] }, { "compound_id": "C12639", "inchi": "InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1", "name": "Quercimeritrin", "names": [ "Quercetin 7-O-beta-D-glucoside", "Quercimeritrin" ] }, { "compound_id": "C12640", "inchi": "InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", "name": "Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside", "names": [ "Bisdemalonylsalvianin", "Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside" ] }, { "compound_id": "C12641", "inchi": "InChI=1S/C39H38O21/c40-18-5-3-17(4-6-18)37-25(58-39-36(53)34(51)31(48)26(60-39)14-54-29(46)8-2-16-1-7-21(42)22(43)9-16)12-20-23(56-37)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1", "name": "4'''-Demalonylsalvianin", "names": [ "4'''-Demalonylsalvianin", "Monodemalonylsalvianin" ] }, { "compound_id": "C12642", "inchi": "InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/p+1/t17-,20-,21+,22-,24-/m1/s1", "name": "Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)", "names": [ "Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)" ] }, { "compound_id": "C12643", "inchi": "InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1", "name": "Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)", "names": [ "Cyanidin 3-O-(6'-O-malonylglucoside)", "Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)", "Cyanidin-3-(6'-malonylglucoside)" ] }, { "compound_id": "C12644", "inchi": "InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1", "name": "Pelargonidin 3-O-rutinoside", "names": [ "Pelargonidin 3-O-rutinoside" ] }, { "compound_id": "C12645", "inchi": "InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/p+1/t11-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1", "name": "Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside", "names": [ "Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside", "Pelargonidin 3-rutinoside-5-glucopyranoside" ] }, { "compound_id": "C12646", "inchi": "InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1", "name": "Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside", "names": [ "Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside" ] }, { "compound_id": "C12647", "inchi": "InChI=1S/C42H40O24/c43-19-5-3-18(4-6-19)39-26(63-41-37(57)35(55)34(54)27(64-41)15-59-31(51)8-2-17-1-7-22(45)23(46)9-17)12-21-24(61-39)10-20(44)11-25(21)62-42-38(58)36(56)40(66-33(53)14-30(49)50)28(65-42)16-60-32(52)13-29(47)48/h1-12,27-28,34-38,40-42,54-58H,13-16H2,(H5-,43,44,45,46,47,48,49,50,51)/p+1/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1", "name": "Salvianin", "names": [ "Salvianin" ] }, { "compound_id": "C12649", "inchi": "InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2", "name": "Citric acid monohydrate", "names": [ "Citric acid monohydrate" ] }, { "compound_id": "C12650", "inchi": "InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1", "name": "Capecitabine", "names": [ "(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester", "Capecitabine" ] }, { "compound_id": "C12656", "inchi": "InChI=1S/C24H31FO6/c1-12-7-16-15-9-18(25)17-8-14(27)5-6-22(17,3)21(15)19(28)10-23(16,4)24(12,30)20(29)11-31-13(2)26/h5-6,8,12,15-16,18-19,21,28,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21-,22+,23+,24+/m1/s1", "name": "Paramethasone acetate", "names": [ "Paramethasone acetate" ] }, { "compound_id": "C12661", "inchi": "InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)", "name": "Pantethine", "names": [ "Pantethine" ] }, { "compound_id": "C12662", "inchi": "InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34?,35-,36-,37-,38?,39+,40+,41?,42-/m1/s1", "name": "Leucomycin A3", "names": [ "Josamycin", "Leucomycin A3" ] }, { "compound_id": "C12666", "inchi": "InChI=1S/C25H32O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30);/q;-1/p-1/t16-,17-,18-,22+,23-,24-,25-;/m0./s1", "name": "Prednisolone sodium succinate", "names": [ "Prednisolone sodium succinate" ] }, { "compound_id": "C12667", "inchi": "InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25?,26?,27+/m1/s1", "name": "Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside", "names": [ "Baimaside", "QUOSP", "Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside", "Quercetin 3-O-sophoroside", "Quercetin 3-beta-D-sophoroside" ] }, { "compound_id": "C12668", "inchi": "InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29?,30?,31?,32+,33?/m1/s1", "name": "Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside", "names": [ "Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside", "Quercetin 3-sophorotrioside" ] }, { "compound_id": "C12673", "inchi": "InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)", "name": "Tegafur", "names": [ "Tegafur" ] }, { "compound_id": "C12675", "inchi": "InChI=1S/C14H14ClN3O4S2/c15-10-7-11-13(8-12(10)23(16,19)20)24(21,22)18-14(17-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,17-18H,6H2,(H2,16,19,20)", "name": "Benzylhydrochlorothiazide", "names": [ "Benzylhydrochlorothiazide" ] }, { "compound_id": "C12677", "inchi": "InChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)", "name": "Acrinol", "names": [ "Acrinol", "Ethacridine lactate" ] }, { "compound_id": "C12679", "inchi": "InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1", "name": "Berberine chloride", "names": [ "Berberine chloride" ] }, { "compound_id": "C12685", "inchi": "InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)", "name": "Cyclothiazide", "names": [ "Cyclothiazide" ] }, { "compound_id": "C12691", "inchi": "InChI=1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1", "name": "Cefacetrile sodium", "names": [ "Cefacetrile sodium", "Cephacetrile sodium" ] }, { "compound_id": "C12695", "inchi": "InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1", "name": "Difluprednate", "names": [ "Difluprednate" ] }, { "compound_id": "C12712", "inchi": "InChI=1S/C26H26N2O6S.Na/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17;/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32);/q;+1/p-1/t18?,19-,20+,23-;/m1./s1", "name": "Carindacillin sodium", "names": [ "Carbenicillin indanyl sodium", "Carindacillin sodium" ] }, { "compound_id": "C12717", "inchi": "InChI=1S/C20H21NO3.ClH/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14;/h5-11H,12H2,1-4H3;1H", "name": "Dimefline hydrochloride", "names": [ "Dimefline hydrochloride" ] }, { "compound_id": "C12724", "inchi": "InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1", "name": "Ethynodiol diacetate", "names": [ "Ethynodiol diacetate" ] }, { "compound_id": "C12729", "inchi": "InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1", "name": "Chlormadinone acetate", "names": [ "Chlormadinone acetate" ] }, { "compound_id": "C12739", "inchi": "InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1", "name": "5'-Deoxy-5-fluorouridine", "names": [ "5'-Deoxy-5-fluorouridine", "Doxifluridine" ] }, { "compound_id": "C12750", "inchi": "InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+", "name": "Bisibuthiamine", "names": [ "Bisibuthiamine", "Sulbutiamine" ] }, { "compound_id": "C12753", "inchi": "InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33?,34?,35-,36-,37+,40?,41+/m0/s1", "name": "Troleandomycin", "names": [ "Triacetyloleandomycin", "Troleandomycin" ] }, { "compound_id": "C12755", "inchi": "InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2", "name": "Mequitazine", "names": [ "Mequitazine" ] }, { "compound_id": "C12766", "inchi": "InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1", "name": "Cyclacillin", "names": [ "Ciclacillin", "Cyclacillin" ] }, { "compound_id": "C12767", "inchi": "InChI=1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2", "name": "Dibenzthion", "names": [ "Dibenzthion", "Sulbentine" ] }, { "compound_id": "C12768", "inchi": "InChI=1S/C17H22NOS2.BrH/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16;/h4-9,14H,10-12H2,1-3H3;1H/q+1;/p-1", "name": "Timepidium bromide", "names": [ "Timepidium bromide", "Timepidium bromide anhydrous" ] }, { "compound_id": "C12786", "inchi": "InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1", "name": "Dinoprost tromethamine", "names": [ "Dinoprost tromethamine" ] }, { "compound_id": "C12796", "inchi": "InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1", "name": "Erythromycin ethylsuccinate", "names": [ "Erythromycin ethylsuccinate" ] }, { "compound_id": "C12798", "inchi": "InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H", "name": "Tulobuterol hydrochloride", "names": [ "Tulobuterol hydrochloride" ] }, { "compound_id": "C12811", "inchi": "InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1", "name": "Allylestrenol", "names": [ "Allylestrenol" ] }, { "compound_id": "C12814", "inchi": "InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1", "name": "Prifinium bromide", "names": [ "Prifinium bromide" ] }, { "compound_id": "C12816", "inchi": "InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1", "name": "Proscillaridin", "names": [ "Proscillaridin" ] }, { "compound_id": "C12819", "inchi": "InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1", "name": "Kainic acid", "names": [ "Kainic acid", "alpha- Kainic acid" ] }, { "compound_id": "C12829", "inchi": "InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)", "name": "Bromisovalum", "names": [ "Bromisovalum", "Bromovalerylurea" ] }, { "compound_id": "C12831", "inchi": "InChI=1S/C6H3Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H", "name": "3,4,6-Trichlorocatechol", "names": [ "3,4,6-Trichlorocatechol" ] }, { "compound_id": "C12832", "inchi": "InChI=1S/C6H5Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,5-6,10-11H/t5-,6+/m1/s1", "name": "3,4,6-Trichloro-cis-1,2-dihydroxycyclohexa-3,5-diene", "names": [ "3,4,6-Trichloro-cis-1,2-dihydroxycyclohexa-3,5-diene" ] }, { "compound_id": "C12833", "inchi": "InChI=1S/C6H3Cl3O4/c7-2(4(9)6(12)13)1-3(8)5(10)11/h1H,(H,10,11)(H,12,13)/b3-1+,4-2-", "name": "2,3,5-Trichloro-cis,cis-muconate", "names": [ "2,3,5-Trichloro-cis,cis-muconate" ] }, { "compound_id": "C12834", "inchi": "InChI=1S/C6H2Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1H,(H,9,10)/b4-3+", "name": "2,5-Dichloro-carboxymethylenebut-2-en-4-olide", "names": [ "2,5-Dichloro-carboxymethylenebut-2-en-4-olide" ] }, { "compound_id": "C12835", "inchi": "InChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)/b2-1+", "name": "2,5-Dichloro-4-oxohex-2-enedioate", "names": [ "2,5-Dichloro-4-oxohex-2-enedioate" ] }, { "compound_id": "C12836", "inchi": "InChI=1S/C6H7ClO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2H2,(H,9,10)(H,11,12)", "name": "2-Chloro-3-oxoadipate", "names": [ "2-Chloro-3-oxoadipate" ] }, { "compound_id": "C12837", "inchi": "InChI=1S/C6H7ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m1/s1", "name": "3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene", "names": [ "3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene" ] }, { "compound_id": "C12838", "inchi": "InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8)/b4-3-", "name": "trans-4-Carboxymethylenebut-2-en-4-olide", "names": [ "trans-4-Carboxymethylenebut-2-en-4-olide" ] }, { "compound_id": "C12839", "inchi": "InChI=1S/C4H10N2.H3O4P.H2O/c1-2-6-4-3-5-1;1-5(2,3)4;/h5-6H,1-4H2;(H3,1,2,3,4);1H2", "name": "Piperazine phosphate", "names": [ "Piperazine phosphate" ] }, { "compound_id": "C12842", "inchi": "InChI=1S/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)", "name": "Pyricarbate", "names": [ "Pyricarbate", "Pyridinol carbamate" ] }, { "compound_id": "C12849", "inchi": "InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)", "name": "p-Phenolsulfonic acid", "names": [ "4-Sulfophenol", "Phenolsulfonic acid", "p-Hydroxybenzenesulfonic acid", "p-Phenolsulfonic acid" ] }, { "compound_id": "C12853", "inchi": "InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1", "name": "Thiamphenicol", "names": [ "Thiamphenicol" ] }, { "compound_id": "C12859", "inchi": "InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1", "name": "Estradiol valerate", "names": [ "Estradiol valerate" ] }, { "compound_id": "C12862", "inchi": "InChI=1/C2H3O3.2N.Pt/c3-1-2(4)5;;;/h1H2,(H,4,5);;;/q-1;;;+2/p-1/fC2H2O3.2N.Pt/q-2;;;m", "name": "Nedaplatin", "names": [ "Nedaplatin" ] }, { "compound_id": "C12864", "inchi": "InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)", "name": "Tamibarotene", "names": [ "Am 80", "Tamibarotene" ] }, { "compound_id": "C12865", "inchi": "InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2", "name": "Benzyl nicotinate", "names": [ "Benzyl nicotinate", "Nicotinic acid benzyl ester" ] }, { "compound_id": "C12869", "inchi": "InChI=1S/C16H25NO4S/c1-4-20-11-14(18)12-21-15-7-5-13(6-8-15)17-16(19)9-10-22(2)3/h5-8,14,18H,4,9-12H2,1-3H3/p+1", "name": "Suplatast", "names": [ "Suplatast" ] }, { "compound_id": "C12871", "inchi": "InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1", "name": "Lopinavir", "names": [ "Lopinavir" ] }, { "compound_id": "C12876", "inchi": "InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)", "name": "Tiopronin", "names": [ "Tiopronin" ] }, { "compound_id": "C12886", "inchi": "InChI=1S/C21H27NO2.ClH/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18;/h5-13H,3-4,14-17H2,1-2H3;1H", "name": "Dialicor", "names": [ "Dialicor", "Etafenone hydrochloride" ] }, { "compound_id": "C12888", "inchi": "InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1", "name": "Hydrocortisone succinate", "names": [ "11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(hydrogensuccinate)", "Cortisol succinate", "Hydrocortisone succinate" ] }, { "compound_id": "C12889", "inchi": "InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-8-9-10(12)11-13/h13H,2-9H2,1H3,(H,11,12)", "name": "n-Decanohydroxamic acid", "names": [ "Decanohydroxamic acid", "n-Decanohydroxamic acid" ] }, { "compound_id": "C12891", "inchi": "InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27-,28-,29+,31+,32+,33?,34-,36?,37?,38-,39-,40-,41?,42+,43+,44?,45-/m1/s1", "name": "Acetylspiramycin", "names": [ "Acetylspiramycin", "Spiramycin II" ] }, { "compound_id": "C12893", "inchi": "InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2", "name": "Magnesium carbonate", "names": [ "Magnesium carbonate", "Magnesium carbonate anhydrous" ] }, { "compound_id": "C12896", "inchi": "InChI=1S/C28H38N4O.C4H4O4/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32;5-3(6)1-2-4(7)8/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33);1-2H,(H,5,6)(H,7,8)/b;2-1-", "name": "Carpipramine maleate", "names": [ "Carpipramine maleate" ] }, { "compound_id": "C12905", "inchi": "InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1", "name": "Variotin", "names": [ "Pecilocin", "Variotin" ] }, { "compound_id": "C12915", "inchi": "InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1", "name": "Nemonapride", "names": [ "Nemonapride" ] }, { "compound_id": "C12919", "inchi": "InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1", "name": "1-alpha,24(R)-Dihydroxyvitamin D3", "names": [ "1-alpha,24(R)-Dihydroxyvitamin D3", "Tacalcitol" ] }, { "compound_id": "C12933", "inchi": "InChI=1S/2C27H33N3O8.2HNO3.3H2O/c2*1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30;2*2-1(3)4;;;/h2*6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36);2*(H,2,3,4);3*1H2/t2*14-,15-,20-,26+,27-;;;;;/m00...../s1", "name": "Rolitetracycline nitrate", "names": [ "Rolitetracycline nitrate" ] }, { "compound_id": "C12935", "inchi": "InChI=1S/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2", "name": "Calcium glycerophosphate", "names": [ "Calcium beta-glycerophosphate", "Calcium glycerophosphate" ] }, { "compound_id": "C12937", "inchi": "InChI=1S/C28H37ClN4O.2ClH/c29-24-11-12-26-23(21-24)10-9-22-7-2-3-8-25(22)33(26)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32;;/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34);2*1H", "name": "Clocapramine dihydrochloride", "names": [ "Clocapramine dihydrochloride" ] }, { "compound_id": "C12942", "inchi": null, "name": "Paraformaldehyde", "names": [ "Paraformaldehyde" ] }, { "compound_id": "C12946", "inchi": "InChI=1S/C16H29NO5/c1-4-6-7-13(5-2)11-17-14(18)10-12(3)22-16(21)9-8-15(19)20/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20)", "name": "Butoctamide hydrogen succinate", "names": [ "Butoctamide hydrogen succinate", "Butoctamide semisuccinate" ] }, { "compound_id": "C12948", "inchi": "InChI=1S/C21H27NO3S2.ClH/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18;/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3;1H", "name": "Mazaticol hydrochloride", "names": [ "KAO 264", "Mazaticol hydrochloride" ] }, { "compound_id": "C12954", "inchi": "InChI=1S/C31H44N2O10.2ClH/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4;;/h18-21H,7-17H2,1-6H3;2*1H", "name": "Dilazep dihydrochloride", "names": [ "Dilazep dihydrochloride" ] }, { "compound_id": "C12958", "inchi": "InChI=1S/C12H16N2O2/c1-10(15)14(9-12(16)13(2)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3", "name": "Phenylacetylglycine dimethylamide", "names": [ "Phenylacetylglycine dimethylamide", "Ralgin" ] }, { "compound_id": "C12959", "inchi": "InChI=1S/C20H26N2.C4H6O6/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20;5-1(3(7)8)2(6)4(9)10/h5-8,10-13H,9,14-15H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1", "name": "Dimetacrine tartrate", "names": [ "Dimetacrine bitartrate", "Dimetacrine tartrate" ] }, { "compound_id": "C12961", "inchi": "InChI=1S/C29H33FO9S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38;/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38);/q;+1/p-1/t16-,21+,22+,23+,26+,27+,28+,29+;/m1./s1", "name": "Dexamethazone metasulfobenzoate sodium", "names": [ "Dexamethasone metasulfobenzoate sodium", "Dexamethazone metasulfobenzoate sodium" ] }, { "compound_id": "C12962", "inchi": "InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3", "name": "Cyphenothrin", "names": [ "Cyphenothrin" ] }, { "compound_id": "C12967", "inchi": "InChI=1S/C49H76O3/c1-34(2)19-14-20-35(3)21-15-22-36(4)25-17-31-49(13)32-29-43-42(10)46(40(8)41(9)47(43)52-49)51-45(50)33-38(6)24-16-23-37(5)27-28-44-39(7)26-18-30-48(44,11)12/h16,23-24,27-28,33-36H,14-15,17-22,25-26,29-32H2,1-13H3/b24-16+,28-27+,37-23+,38-33+/t35-,36-,49-/m1/s1", "name": "Tocoretinate", "names": [ "Tocoretinate", "Tretinoin tocoferil" ] }, { "compound_id": "C12978", "inchi": "InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1", "name": "Epidihydrocholesterin", "names": [ "Epicholestanol", "Epidihydrocholesterin" ] }, { "compound_id": "C12979", "inchi": "InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1", "name": "Cefroxadine", "names": [ "Cefroxadine" ] }, { "compound_id": "C12981", "inchi": "InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1", "name": "dl-alpha-Tocopherol nicotinate", "names": [ "Tocopheryl nicotinate", "dl-alpha-Tocopherol nicotinate" ] }, { "compound_id": "C12986", "inchi": "InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14)3-2-4-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-/m0/s1", "name": "N2-Acetyl-L-aminoadipate", "names": [ "N2-Acetyl-L-aminoadipate" ] }, { "compound_id": "C12987", "inchi": "InChI=1S/C8H14NO8P/c1-5(10)9-6(8(12)13)3-2-4-7(11)17-18(14,15)16/h6H,2-4H2,1H3,(H,9,10)(H,12,13)(H2,14,15,16)/t6-/m0/s1", "name": "N2-Acetyl-L-aminoadipyl-delta-phosphate", "names": [ "N2-Acetyl-L-aminoadipyl-delta-phosphate" ] }, { "compound_id": "C12988", "inchi": "InChI=1S/C8H13NO4/c1-6(11)9-7(8(12)13)4-2-3-5-10/h5,7H,2-4H2,1H3,(H,9,11)(H,12,13)/t7-/m0/s1", "name": "N2-Acetyl-L-aminoadipate semialdehyde", "names": [ "N2-Acetyl-L-aminoadipate semialdehyde" ] }, { "compound_id": "C12989", "inchi": "InChI=1/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1/f/h10,12H", "name": "N2-Acetyl-L-lysine", "names": [ "N2-Acetyl-L-lysine" ] }, { "compound_id": "C12995", "inchi": "InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3", "name": "Laureth 4", "names": [ "Laureth 4", "Laureth 9", "Lauromacrogol 400" ] }, { "compound_id": "C13008", "inchi": "InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3", "name": "Edaravone", "names": [ "Edaravone" ] }, { "compound_id": "C13014", "inchi": "InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)", "name": "1-Naphthylacetic acid", "names": [ "1-Naphthylacetic acid", "NAA" ] }, { "compound_id": "C13016", "inchi": "InChI=1S/C12H14N6O10S2.2Na/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26;;/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26);;/q;2*+1/p-2/b17-7-;;/t5-,8+;;/m1../s1", "name": "Carumonam sodium", "names": [ "Carumonam sodium" ] }, { "compound_id": "C13024", "inchi": "InChI=1S/C28H26N6O10S2.Na/c35-23(18-12-29-22(30-18)28(40)41)31-19(16-4-2-1-3-5-16)24(36)32-20-25(37)34-21(27(38)39)17(14-45-26(20)34)13-33-9-6-15(7-10-33)8-11-46(42,43)44;/h1-7,9-10,12,19-20,26H,8,11,13-14H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44);/q;+1/p-1/t19-,20-,26-;/m1./s1", "name": "Cefpimizole sodium", "names": [ "Cefpimizole sodium" ] }, { "compound_id": "C13031", "inchi": "InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1", "name": "Estramustine phosphate sodium", "names": [ "Estramustine phosphate sodium" ] }, { "compound_id": "C13034", "inchi": "InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2", "name": "Bronopol", "names": [ "Bronopol" ] }, { "compound_id": "C13037", "inchi": "InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1", "name": "Lynestrenol", "names": [ "Lynestrenol" ] }, { "compound_id": "C13038", "inchi": "InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)", "name": "Flufenamic acid", "names": [ "FFA", "Flufenamic acid" ] }, { "compound_id": "C13044", "inchi": "InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3", "name": "Tricaprilin", "names": [ "1,2,3-Trioctanoyl glycerol", "1,2,3-trioctanoyl glycerol", "Tricaprilin", "Trioctanoylglycerol" ] }, { "compound_id": "C13048", "inchi": "InChI=1S/C10H14NO5P/c1-3-15-17(14,4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3", "name": "p-Nitrophenyl-O-ethyl ethylphosphonate", "names": [ "Ethyl 4-nitrophenyl ethylphosphonate", "p-Nitrophenyl-O-ethyl ethylphosphonate" ] }, { "compound_id": "C13050", "inchi": "InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", "name": "Cyclic ADP-ribose", "names": [ "Cyclic ADP-ribose", "cADPR" ] }, { "compound_id": "C13051", "inchi": "InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1", "name": "Nicotinic acid adenine dinucleotide phosphate", "names": [ "NAADP", "Nicotinic acid adenine dinucleotide phosphate" ] }, { "compound_id": "C13055", "inchi": "InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);1H/t12-,13-,14+,17+,21-,22+;/m1./s1", "name": "Oxytetracycline hydrochloride", "names": [ "OTC", "Oxytetracycline hydrochloride" ] }, { "compound_id": "C13058", "inchi": "InChI=1S/C4H7NO4.Ca/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2/t2-;/m0./s1", "name": "Calcium L-aspartate", "names": [ "Calcium L-aspartate" ] }, { "compound_id": "C13061", "inchi": "InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)", "name": "Acetylsulfamethoxazole", "names": [ "Acetylsulfamethoxazole" ] }, { "compound_id": "C13072", "inchi": "InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2", "name": "Sodium picosulfate", "names": [ "Sodium picosulfate" ] }, { "compound_id": "C13074", "inchi": null, "name": "Acetylkitasamycin", "names": [ "Acetylkitasamycin" ] }, { "compound_id": "C13077", "inchi": "InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1", "name": "Estradiol dipropionate", "names": [ "Estradiol dipropionate" ] }, { "compound_id": "C13085", "inchi": "InChI=1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/q;+1/p-1/t2-,3+,4-,5-;/m0./s1", "name": "Sodium glucuronate", "names": [ "Sodium glucuronate" ] }, { "compound_id": "C13086", "inchi": "InChI=1S/C6H10Ge2O7/c9-5(10)1-3-7(13)15-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)", "name": "Propagermanium", "names": [ "Propagermanium", "Proxigermanium" ] }, { "compound_id": "C13089", "inchi": "InChI=1S/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26);1H/b24-11-;/t12-,16-;/m1./s1", "name": "Cefetamet pivoxil hydrochloride", "names": [ "Cefetamet pivoxil hydrochloride" ] }, { "compound_id": "C13101", "inchi": "InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3", "name": "Hexestrol", "names": [ "Exestrol", "Hexestrol" ] }, { "compound_id": "C13102", "inchi": "InChI=1S/Bi.H2NO3.2NO3/c;3*2-1(3)4/h;1-2H;;/q+3;3*-1", "name": "Bismuth subnitrate", "names": [ "Bismuth hydroxide nitrate oxide", "Bismuth subnitrate" ] }, { "compound_id": "C13103", "inchi": "InChI=1S/C35H59NO13/c1-19-16-23(14-15-37)31(32(44-8)25(39)17-26(40)45-20(2)12-10-9-11-13-24(19)38)49-34-29(41)28(36(6)7)30(21(3)47-34)48-27-18-35(5,43)33(42)22(4)46-27/h9-11,13,15,19-25,27-34,38-39,41-43H,12,14,16-18H2,1-8H3/b10-9+,13-11+/t19-,20-,21-,22+,23+,24+,25-,27?,28-,29-,30-,31?,32+,33+,34?,35-/m1/s1", "name": "Leucomycin V", "names": [ "Leucomycin V" ] }, { "compound_id": "C13104", "inchi": "InChI=1S/2C7H7NO3.Al.Ca.2H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;/h2*1-3,9H,8H2,(H,10,11);;;2*1H2/q;;+3;+2;;/p-5", "name": "Aluminoparaaminosalicylate calcium", "names": [ "Alumino-p-aminosalicylic acid calcium salt", "Aluminoparaaminosalicylate calcium" ] }, { "compound_id": "C13106", "inchi": "InChI=1S/C16H29N5O8.Gd.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;1H2/q;+3;/p-3", "name": "Gadodiamide hydrate", "names": [ "Gadodiamide", "Gadodiamide hydrate" ] }, { "compound_id": "C13109", "inchi": "InChI=1S/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16?,17-;/m1./s1", "name": "Hyoscyamine methylbromide", "names": [ "Atropine methobromide", "Atropine methylbromide", "Hyoscyamine methylbromide" ] }, { "compound_id": "C13110", "inchi": "InChI=1S/C18H22N2O5S.K/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20;/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24);/q;+1/p-1/t11?,12-,13+,16-;/m1./s1", "name": "Propicillin potassium", "names": [ "Brocillin", "Propicillin potassium" ] }, { "compound_id": "C13112", "inchi": "InChI=1S/C9H11N3O4.ClH/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6-,7+,8-;/m1./s1", "name": "Ancitabin hydrochloride", "names": [ "Ancitabin hydrochloride", "Cyclocytidine" ] }, { "compound_id": "C13127", "inchi": "InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)", "name": "Bropirimine", "names": [ "Bropirimine" ] }, { "compound_id": "C13129", "inchi": "InChI=1S/C25H30N4O9S2.C7H8O3S/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31);2-5H,1H3,(H,8,9,10)/t14-,15-,16-,17+,18+,21-;/m1./s1", "name": "Sultamicillin tosilate", "names": [ "Sultamicillin tosilate", "Sultamicillin tosylate" ] }, { "compound_id": "C13138", "inchi": "InChI=1S/C12H17NO3/c1-2-3-7-15-8-9-16-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3", "name": "beta-Butoxyethyl nicotinate", "names": [ "Nicoboxil", "beta-Butoxyethyl nicotinate" ] }, { "compound_id": "C13140", "inchi": "InChI=1S/Ca.O/q+2;-2", "name": "Calcium oxide", "names": [ "Calcium oxide", "Lime" ] }, { "compound_id": "C13142", "inchi": "InChI=1S/C17H19N5O6S2.Na/c1-27-21-10(8-6-30-17(18)19-8)13(23)20-11-14(24)22-12(16(25)26)7(5-29-15(11)22)9-3-2-4-28-9;/h6,9,11,15H,2-5H2,1H3,(H2,18,19)(H,20,23)(H,25,26);/q;+1/p-1/b21-10-;/t9-,11+,15+;/m0./s1", "name": "Cefovecin sodium", "names": [ "Cefovecin sodium" ] }, { "compound_id": "C13143", "inchi": "InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1", "name": "Ceftiofur sodium", "names": [ "Ceftiofur sodium" ] }, { "compound_id": "C13144", "inchi": "InChI=1S/C13H12N2O2.ClH/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);1H/b6-5+;", "name": "Ozagrel hydrochloride", "names": [ "Ozagrel hydrochloride" ] }, { "compound_id": "C13154", "inchi": "InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1", "name": "Dehydrocholic acid", "names": [ "3,7,12-Triketo-5beta-cholanoic acid", "Dehydrocholic acid" ] }, { "compound_id": "C13156", "inchi": null, "name": "Lentinan", "names": [ "Lentinan" ] }, { "compound_id": "C13167", "inchi": "InChI=1S/C32H43N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,22-,24-,25+,26+,31?,32+;/m1./s1", "name": "Dihydro-alpha-ergocryptine mesylate", "names": [ "9,10alpha-Dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate", "Dihydro-alpha-ergocryptine mesylate" ] }, { "compound_id": "C13168", "inchi": "InChI=1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34?,35+;/m1./s1", "name": "Dihydroergocristine mesylate", "names": [ "Dihydroergocristine mesylate" ] }, { "compound_id": "C13173", "inchi": "InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1", "name": "Roxithromycin", "names": [ "Roxithromycin" ] }, { "compound_id": "C13179", "inchi": "InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)", "name": "Fleroxacin", "names": [ "Fleroxacin" ] }, { "compound_id": "C13182", "inchi": "InChI=1S/C23H27N3O4.ClH/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17;/h1-9,16,18H,10-15H2,(H4,24,25,26);1H/t16-,18?;", "name": "Benexate hydrochloride", "names": [ "Benexate hydrochloride" ] }, { "compound_id": "C13183", "inchi": "InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34?,35?,36-,37-,38-,39-,40?,41-,42?/m1/s1", "name": "Betadex", "names": [ "Betadex" ] }, { "compound_id": "C13189", "inchi": "InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2", "name": "Calcium bromide", "names": [ "Calcium bromide" ] }, { "compound_id": "C13192", "inchi": "InChI=1S/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2", "name": "Potassium sulfate", "names": [ "Potassium sulfate" ] }, { "compound_id": "C13194", "inchi": "InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2", "name": "Calcium sulfate", "names": [ "Calcium sulfate", "Gypsum" ] }, { "compound_id": "C13197", "inchi": "InChI=1S/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2", "name": "Potassium dibasic phosphate", "names": [ "Potassium dibasic phosphate" ] }, { "compound_id": "C13198", "inchi": "InChI=1S/BrH.K/h1H;/q;+1/p-1", "name": "Potassium bromide", "names": [ "Potassium bromide" ] }, { "compound_id": "C13199", "inchi": "InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2", "name": "Sodium sulfate", "names": [ "Sodium sulfate" ] }, { "compound_id": "C13202", "inchi": "InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1", "name": "alpha-Tocopherol acetate", "names": [ "Tocopherol acetate", "alpha-Tocopherol acetate" ] }, { "compound_id": "C13229", "inchi": "InChI=1S/C13H17N3O4S.Na.H2O/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h4-8H,9H2,1-3H3,(H,18,19,20);;1H2/q;+1;/p-1", "name": "Sulpyrine", "names": [ "Dipyrone", "Dipyrone monohydrate", "Sulpyrine" ] }, { "compound_id": "C13235", "inchi": "InChI=1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H", "name": "Procaterol hydrochloride", "names": [ "Lontermin", "Procaterol hydrochloride" ] }, { "compound_id": "C13240", "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", "name": "Ether", "names": [ "Anesthetic ether", "Diethyl ether", "Ether" ] }, { "compound_id": "C13244", "inchi": "InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3", "name": "Antipyrine", "names": [ "Antipyrine", "Phenazone" ] }, { "compound_id": "C13249", "inchi": "InChI=1S/C6H8O7.3Na.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2/q;3*+1;;/p-3", "name": "Sodium citrate", "names": [ "Sodium citrate", "Trisodium citrate dihydrate" ] }, { "compound_id": "C13254", "inchi": "InChI=1S/2C19H20N2.C10H8O6S2/c2*1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*2-10H,11-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)", "name": "Mebhydrolin napadisilate", "names": [ "Diazoline", "Mebhydrolin napadisilate" ] }, { "compound_id": "C13269", "inchi": "InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1", "name": "Aspoxicillin", "names": [ "Aspoxicillin" ] }, { "compound_id": "C13273", "inchi": "InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-", "name": "Plaunotol", "names": [ "18-Hydroxygeranylgeraniol", "Plaunotol" ] }, { "compound_id": "C13280", "inchi": "InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)", "name": "Nicorandil", "names": [ "Nicorandil" ] }, { "compound_id": "C13297", "inchi": "InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+", "name": "Geranylgeranylacetone", "names": [ "Geranylgeranylacetone", "Teprenone" ] }, { "compound_id": "C13299", "inchi": "InChI=1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1", "name": "Fungichromin", "names": [ "Fungichromin", "Pentamycin" ] }, { "compound_id": "C13301", "inchi": "InChI=1S/C60H86N16O13.C2H4O2/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40;1-2(3)4/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65);1H3,(H,3,4)/t40-,41-,42-,43-,44-,45-,46-,47+,48-;/m0./s1", "name": "Buserelin acetate", "names": [ "Buserelin acetate" ] }, { "compound_id": "C13309", "inchi": "InChI=1S/C30H44O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24H,8-16,20H2,1-5H3/b25-19+", "name": "2-Phytyl-1,4-naphthoquinone", "names": [ "2-Phytyl-1,4-naphthoquinone", "Demethylphylloquinone" ] }, { "compound_id": "C13310", "inchi": "InChI=1S/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6-,7+,11-;/m1./s1", "name": "Faropenem sodium", "names": [ "Faropenem sodium", "Fropenum sodium", "SUN 5555" ] }, { "compound_id": "C13311", "inchi": "InChI=1S/C10H16N2O2/c13-9-5-4-8(11-9)10(14)12-6-2-1-3-7-12/h8H,1-7H2,(H,11,13)/t8-/m1/s1", "name": "Fasoracetam", "names": [ "Fasoracetam", "NS 105" ] }, { "compound_id": "C13326", "inchi": "InChI=1S/2C19H25NO3.Ca/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);/q;;+2/p-2/t2*15-,16+,17-;/m00./s1", "name": "Kad 1229", "names": [ "Kad 1229", "Mitiglinide calcium" ] }, { "compound_id": "C13334", "inchi": "InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11+/t18-,19-/m1/s1", "name": "Pitavastatin", "names": [ "(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate", "Pitavastatin" ] }, { "compound_id": "C13342", "inchi": "InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3", "name": "p-Hydroxypropiophenone", "names": [ "Paroxypropione", "p-Hydroxypropiophenone" ] }, { "compound_id": "C13355", "inchi": "InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3", "name": "Aniracetam", "names": [ "Aniracetam" ] }, { "compound_id": "C13358", "inchi": "InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1", "name": "Hydrocortisone butyrate propionate", "names": [ "Hydrocortisone buteprate", "Hydrocortisone butyrate propionate", "Hydrocortisone probutate" ] }, { "compound_id": "C13373", "inchi": "InChI=1/Xe", "name": "Xenon", "names": [ "Xenon" ] }, { "compound_id": "C13376", "inchi": "InChI=1S/C25H24N8O7S2.Na/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2;/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40);/q;+1/p-1/t17-,18-,23-;/m1./s1", "name": "Cefpiramide sodium", "names": [ "Cefpiramide sodium" ] }, { "compound_id": "C13377", "inchi": "InChI=1S/2ClH.Hg/h2*1H;/q;;+2/p-2", "name": "Mercuric chloride", "names": [ "Mercuric chloride", "Mercury(II) chloride" ] }, { "compound_id": "C13378", "inchi": "InChI=1S/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)", "name": "alpha,beta-Dihydroxyethyl-TPP", "names": [ "2-(1,2-Dihydroxyethyl)-TPP", "alpha,beta-Dihydroxyethyl-TPP", "alpha,beta-Dihydroxyethyl-ThDP" ] }, { "compound_id": "C13383", "inchi": "InChI=1S/CHI3/c2-1(3)4/h1H", "name": "Iodoform", "names": [ "Iodoform" ] }, { "compound_id": "C13391", "inchi": "InChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3", "name": "Aluminum hydroxide", "names": [ "Aluminum hydroxide" ] }, { "compound_id": "C13392", "inchi": "InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H", "name": "Azulene", "names": [ "Azulene" ] }, { "compound_id": "C13400", "inchi": "InChI=1S/C9H8O4.C2H5NO2.CH2O3.Al.Mg.2H2O/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;3-1-2(4)5;2-1(3)4;;;;/h2-5H,1H3,(H,11,12);1,3H2,(H,4,5);(H2,2,3,4);;;2*1H2/q;;;+3;+2;;/p-5", "name": "Bufferin", "names": [ "Aspirin softam", "Bufferin" ] }, { "compound_id": "C13403", "inchi": "InChI=1/C8H10N4O2.C7H6O2.Na/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6;/h4H,1-3H3;1-5H,(H,8,9);/q;;+1/p-1/fC8H10N4O2.C7H5O2.Na/q;-1;m", "name": "Sodium caffeine benzoate", "names": [ "Sodium caffeine benzoate" ] }, { "compound_id": "C13409", "inchi": null, "name": "Titanium dioxide", "names": [ "Titania", "Titanium dioxide" ] }, { "compound_id": "C13410", "inchi": "InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1", "name": "Transfluthrin", "names": [ "(2,3,5,6-Tetrafluorophenyl)methyl(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate", "Transfluthrin" ] }, { "compound_id": "C13414", "inchi": "InChI=1S/C15H18O3S.Na/c1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14;/h5-10H,4H2,1-3H3,(H,16,17,18);/q;+1/p-1", "name": "Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate", "names": [ "Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate" ] }, { "compound_id": "C13415", "inchi": "InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3", "name": "n-Butyl-2-cyanoacrylate", "names": [ "Butyl 2-cyanoacrylate polymers", "Histoacryl", "n-Butyl-2-cyanoacrylate" ] }, { "compound_id": "C13416", "inchi": "InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1", "name": "Sodium equilin sulfate", "names": [ "Sodium equilin sulfate" ] }, { "compound_id": "C13422", "inchi": "InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1", "name": "Hydrocortisone caproate", "names": [ "Hydrocortisone caproate", "[2-(11,17-Dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl]hexanoate" ] }, { "compound_id": "C13424", "inchi": "InChI=1S/C25H32N2O.C4H4O4/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21;5-3(6)1-2-4(7)8/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+", "name": "Zanapezil fumarate", "names": [ "Zanapezil fumarate" ] }, { "compound_id": "C13425", "inchi": "InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+", "name": "3-Hexaprenyl-4-hydroxybenzoate", "names": [ "3-Hexaprenyl-4-hydroxybenzoate", "3-Hexaprenyl-4-hydroxybenzoic acid" ] }, { "compound_id": "C13426", "inchi": "InChI=1S/C22H35IO2/c1-19(18-22(24)25)12-10-8-6-4-2-3-5-7-9-11-13-20-14-16-21(23)17-15-20/h14-17,19H,2-13,18H2,1H3,(H,24,25)/i23-4", "name": "I-123 BMIPP", "names": [ "123I-15-(p-iodophenyl)-3-R,S-methylpentadecanoic acid", "I-123 BMIPP", "I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid" ] }, { "compound_id": "C13427", "inchi": "InChI=1S/2C5H4NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2", "name": "Pyrithione zinc", "names": [ "Pyrithione zinc", "Zinc pyrithione" ] }, { "compound_id": "C13429", "inchi": "InChI=1S/2C11H9I3N2O4.C7H17NO5.Na/c2*1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9;/h2*1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3;/q;;;+1/p-1/t;;4-,5+,6+,7+;/m..0./s1", "name": "Meglumine sodium amidotrizoate", "names": [ "Meglumine sodium amidotrizoate", "Urovision" ] }, { "compound_id": "C13431", "inchi": "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22?,33-,34-,38+,39+,40-/m0/s1", "name": "9'-cis-Neoxanthin", "names": [ "9'-cis-Neoxanthin" ] }, { "compound_id": "C13433", "inchi": "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1", "name": "9-cis-Violaxanthin", "names": [ "9-cis-Violaxanthin" ] }, { "compound_id": "C13440", "inchi": "InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1", "name": "Cefaloglycin", "names": [ "Cefaloglycin", "Cephaloglycin anhydrous" ] }, { "compound_id": "C13441", "inchi": "InChI=1S/C26H35N3O5.2ClH/c1-15-19-13-29-7-6-16-18-11-23(31-4)24(32-5)12-21(18)27-25(16)22(29)10-17(19)20(14-34-15)26(30)33-9-8-28(2)3;;/h11-12,14-15,17,19,22,27H,6-10,13H2,1-5H3;2*1H/t15-,17-,19-,22+;;/m0../s1", "name": "Dimethylaminoethyl reserpilinate dihydrochloride", "names": [ "Dimethylaminoethyl reserpilinate dihydrochloride", "Paratensiol" ] }, { "compound_id": "C13444", "inchi": "InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1", "name": "Estradiol benzoate", "names": [ "17-beta-Estradiol 3-benzoate", "Estradiol benzoate" ] }, { "compound_id": "C13450", "inchi": "InChI=1S/C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)28-41(62)19-16-18-40(61)27-43(64)29-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40-43,45-46,48-49,51-55,57,61-64,66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35?,36?,37-,40?,41?,42?,43?,45?,46-,48?,49?,51?,52+,53-,54+,55?,57+,58?/m1/s1", "name": "Trichomycin A", "names": [ "Trichomycin A" ] }, { "compound_id": "C13451", "inchi": "InChI=1S/C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-44(65)28-43(64)27-40(61)18-16-19-41(62)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40,42-46,48-49,51-55,57,61,63-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35?,36?,37-,40?,42?,43?,44?,45?,46-,48?,49?,51?,52+,53-,54+,55?,57+,58?/m1/s1", "name": "Trichomycin B", "names": [ "Trichomycin B" ] }, { "compound_id": "C13452", "inchi": "InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2", "name": "Tannic acid", "names": [ "Tannic acid" ] }, { "compound_id": "C13453", "inchi": "InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6-/t12-,14+,15-/m0/s1", "name": "Xanthoxin", "names": [ "2-cis,4-trans-Xanthoxin", "Xanthoxin" ] }, { "compound_id": "C13454", "inchi": "InChI=1S/C15H22O4/c1-10(7-12(17)18)5-6-15-13(2,3)8-11(16)9-14(15,4)19-15/h5-7,11,16H,8-9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t11-,14+,15-/m0/s1", "name": "Xanthoxic acid", "names": [ "Xanthoxic acid" ] }, { "compound_id": "C13455", "inchi": "InChI=1S/C15H20O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-9,18H,10H2,1-4H3/b7-5+,11-6-/t15-/m1/s1", "name": "Abscisic aldehyde", "names": [ "Abscisic aldehyde" ] }, { "compound_id": "C13456", "inchi": "InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,16,18H,8,10H2,1-4H3/b7-5+,11-6-/t15-/m1/s1", "name": "Abscisic alcohol", "names": [ "Abscisic alcohol" ] }, { "compound_id": "C13478", "inchi": "InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1", "name": "Luliconazole", "names": [ "Luliconazole" ] }, { "compound_id": "C13482", "inchi": "InChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)", "name": "Phosphodimethylethanolamine", "names": [ "Phosphodimethylethanolamine" ] }, { "compound_id": "C13487", "inchi": "InChI=1S/C18H20F4O3/c1-5-6-11-12(18(11,2)3)17(23)25-8-10-15(21)13(19)9(7-24-4)14(20)16(10)22/h5-6,11-12H,7-8H2,1-4H3/b6-5+", "name": "Metofluthrin", "names": [ "Metofluthrin" ] }, { "compound_id": "C13493", "inchi": "InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3", "name": "Polidocanol", "names": [ "Nonaethylene glycol monododecyl ether", "Polidocanol" ] }, { "compound_id": "C13494", "inchi": "InChI=1S/C21H25ClFN3O3.C6H8O7.2H2O/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2", "name": "Mosapride citrate hydrate", "names": [ "AS 4370", "Mosapride citrate hydrate" ] }, { "compound_id": "C13500", "inchi": null, "name": "Kitasamycin tartrate", "names": [ "Kitasamycin tartrate" ] }, { "compound_id": "C13503", "inchi": "InChI=1S/C40H30N10O6.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;;/h3-26H,1-2H3;2*1H/q+2;;/p-2", "name": "Nitro blue tetrazolium", "names": [ "Nitro blue tetrazolium" ] }, { "compound_id": "C13505", "inchi": "InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/p-1/t15-,17-,21-;/m1./s1", "name": "Cefsulodin sodium", "names": [ "Cefsulodin sodium" ] }, { "compound_id": "C13508", "inchi": null, "name": "Sulfoquinovosyldiacylglycerol", "names": [ "1,2-Diacyl-3-(6-sulfo-alpha-D-quinovosyl)-sn-glycerol", "SQDG", "Sulfoquinovosyldiacylglycerol" ] }, { "compound_id": "C13511", "inchi": "InChI=1S/3C6H12O7.Fe/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;/h3*2-5,7-11H,1H2,(H,12,13);/q;;;+3/p-3/t3*2-,3-,4+,5-;/m111./s1", "name": "Ferric gluconate", "names": [ "Ferlixit", "Ferric gluconate", "Ferrulecit" ] }, { "compound_id": "C13515", "inchi": "InChI=1/H2O.Rb/h1H2;/q;+1/p-1/fHO.Rb/h1h;/q-1;m", "name": "Rubidium hydroxide", "names": [ "Rubidium hydroxide" ] }, { "compound_id": "C13522", "inchi": "InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1", "name": "Mitobronitol", "names": [ "Mitobronitol", "Myebrol" ] }, { "compound_id": "C13523", "inchi": null, "name": "Secretin", "names": [ "Secretin", "Vitrum" ] }, { "compound_id": "C13524", "inchi": "InChI=1S/C20H24ClN3S.2CH4O3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;2*1H3,(H,2,3,4)", "name": "Prochlorperazine mesylate", "names": [ "Novamin", "Prochlorperazine mesilate", "Prochlorperazine mesylate", "Prochlorperazine methanesulfonate" ] }, { "compound_id": "C13526", "inchi": "InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1", "name": "Sennoside B", "names": [ "Sennoside B" ] }, { "compound_id": "C13534", "inchi": "InChI=1S/C12H15NO3.ClH/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13;/h5H,3-4,6-7H2,1-2H3;1H", "name": "Hydrocotarnine hydrochloride", "names": [ "Hydrocotarnine hydrochloride" ] }, { "compound_id": "C13540", "inchi": "InChI=1S/C21H26ClN3OS.2C4H4O4/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;2*5-3(6)1-2-4(7)8/h1-2,4-7,16,26H,3,8-15H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-", "name": "Perphenazine maleate", "names": [ "Perphenazine maleate" ] }, { "compound_id": "C13542", "inchi": "InChI=1S/C12H24O11.2H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;;/h4-21H,1-3H2;2*1H2/t4-,5+,6+,7+,8-,9-,10+,11?,12?;;/m0../s1", "name": "Lactitol dihydrate", "names": [ "Lactitol dihydrate" ] }, { "compound_id": "C13546", "inchi": "InChI=1S/C14H10N4O.ClH/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10;/h2-6,8H,1H3,(H,17,19);1H", "name": "Olprinone hydrochloride", "names": [ "E 1020", "Olprinone hydrochloride" ] }, { "compound_id": "C13547", "inchi": "InChI=1S/C27H45IO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1/i28+4", "name": "Norcholestenol iodomethyl (131 I)", "names": [ "Norcholestenol iodomethyl ((sup 131)I)", "Norcholestenol iodomethyl (131 I)" ] }, { "compound_id": "C13548", "inchi": "InChI=1S/C36H60O30.C20H34O5/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h7-54H,1-6H2;12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b;13-12+/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;15-,16+,17+,19+/m10/s1", "name": "Alprostadil alfadex", "names": [ "Alprostadil alfadex", "G 511" ] }, { "compound_id": "C13550", "inchi": "InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1", "name": "Cerebrosterol", "names": [ "(24S)-24-Hydroxycholesterol", "24-Hydroxycholesterol", "Cerebrosterol", "Cholest-5-ene-3,24-diol" ] }, { "compound_id": "C13553", "inchi": null, "name": "Colistin sodium methanesulfonate", "names": [ "Colistimethate sodium", "Colistin sodium methanesulfonate" ] }, { "compound_id": "C13554", "inchi": "InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11-,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1", "name": "Prednisolone 21-all-cis-farnesylate", "names": [ "Prednisolone 21-all-cis-farnesylate" ] }, { "compound_id": "C13556", "inchi": "InChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2", "name": "Monobasic calcium phosphate", "names": [ "Calcium biphosphate", "Monobasic calcium phosphate", "Monocalcium phosphate" ] }, { "compound_id": "C13558", "inchi": "InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2", "name": "Dibasic sodium phosphate", "names": [ "Dibasic sodium phosphate", "Disodium phosphate" ] }, { "compound_id": "C13563", "inchi": "InChI=1S/ClH.Na/h1H;/q;+1/p-1", "name": "Sodium chloride", "names": [ "Sodium chloride" ] }, { "compound_id": "C13569", "inchi": "InChI=1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56(27(7)76-42)78-29(9)60/h13,15,22-27,32-33,35-42,46-48,52-56,58,61-66,69H,14,16-20H2,1-12H3/t22-,23-,24-,25-,26-,27+,32+,33-,35-,36-,37?,38?,39+,40+,41?,42+,46+,47-,48-,52+,53+,54+,55?,56+,57+/m1/s1", "name": "Chromomycin A3", "names": [ "Aburamycin B", "Chromomycin A3", "Toyomycin" ] }, { "compound_id": "C13587", "inchi": "InChI=1S/C88H95Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h7-8,11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/b8-7+/t48-,57-,58-,59-,62-,63-,64+,65-,66?,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77?,86?,87+,88+/m1/s1", "name": "Teicoplanin A2-1", "names": [ "Teichomycin A2 factor 1", "Teicoplanin A2-1" ] }, { "compound_id": "C13588", "inchi": "InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66?,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77?,86?,87+,88+/m1/s1", "name": "Teicoplanin A2-3", "names": [ "Teichomycin A2 factor 3", "Teicoplanin A2-3" ] }, { "compound_id": "C13591", "inchi": "InChI=1S/C17H27NO4.ClH/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4;/h7,10,15,18,20H,8-9H2,1-6H3;1H", "name": "Metipranolol hydrochloride", "names": [ "Metipranolol hydrochloride" ] }, { "compound_id": "C13594", "inchi": "InChI=1S/C10H9N3O.C3H6O3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;4-2-1-3(5)6/h1-6H,11H2,(H,13,14);4H,1-2H2,(H,5,6)", "name": "Amrinone lactate", "names": [ "Amrinone lactate", "Inamrinone lactate" ] }, { "compound_id": "C13595", "inchi": "InChI=1S/C12H9N3O.C3H6O3/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8;1-2(4)3(5)6/h2-6H,1H3,(H,15,16);2,4H,1H3,(H,5,6)", "name": "Milrinone lactate", "names": [ "Milrinone lactate" ] }, { "compound_id": "C13610", "inchi": "InChI=1S/C89H99Cl2N9O33/c1-4-34(2)9-7-5-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t34?,49-,58-,59-,60-,63-,64-,65+,66-,67?,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78?,87?,88+,89+/m1/s1", "name": "Teicoplanin A2-4", "names": [ "Teichomycin A2 factor 4", "Teicoplanin A2-4" ] }, { "compound_id": "C13612", "inchi": "InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t49-,58-,59-,60-,63-,64-,65+,66-,67?,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78?,87?,88+,89+/m1/s1", "name": "Teicoplanin A2-5", "names": [ "Teichomycin A2 factor 5", "Teicoplanin A2-5" ] }, { "compound_id": "C13613", "inchi": "InChI=1S/C72H68Cl2N8O28/c1-24(85)76-55-60(93)58(91)47(22-83)108-71(55)110-63-28-5-9-42(37(74)15-28)106-46-18-30-17-45(57(46)90)105-41-8-2-25(10-36(41)73)11-38-64(96)78-52(29-12-31(86)19-33(13-29)104-43-16-26(3-7-40(43)89)50(75)65(97)77-38)67(99)80-53(30)68(100)79-51-27-4-6-39(88)34(14-27)49-35(54(70(102)103)81-69(101)56(63)82-66(51)98)20-32(87)21-44(49)107-72-62(95)61(94)59(92)48(23-84)109-72/h2-10,12-21,38,47-48,50-56,58-63,71-72,83-84,86-95H,11,22-23,75H2,1H3,(H,76,85)(H,77,97)(H,78,96)(H,79,100)(H,80,99)(H,81,101)(H,82,98)(H,102,103)/t38-,47-,48-,50-,51-,52+,53-,54?,55-,56+,58-,59-,60-,61+,62+,63?,71?,72+/m1/s1", "name": "Teicoplanin A3-1", "names": [ "Teicoplanin A3-1" ] }, { "compound_id": "C13619", "inchi": "InChI=1S/2As.3O/q2*+3;3*-2", "name": "Arsenous oxide", "names": [ "Arsenic trioxide", "Arsenous oxide" ] }, { "compound_id": "C13620", "inchi": "InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3", "name": "Tetrabromobisphenol A", "names": [ "3,3',5,5'-Tetrabromobisphenol A", "Tetrabromobisphenol A" ] }, { "compound_id": "C13621", "inchi": "InChI=1S/C15H13Br3O2/c1-15(2,8-3-4-13(19)10(16)5-8)9-6-11(17)14(20)12(18)7-9/h3-7,19-20H,1-2H3", "name": "Tribromobisphenol A", "names": [ "3,3',5-Tribromobisphenol A", "Tribromobisphenol A" ] }, { "compound_id": "C13622", "inchi": "InChI=1S/C15H14Br2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3", "name": "Dibromobisphenol A", "names": [ "3,3'-Dibromobisphenol A", "Dibromobisphenol A" ] }, { "compound_id": "C13623", "inchi": "InChI=1S/C15H15BrO2/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,17-18H,1-2H3", "name": "Monobromobisphenol A", "names": [ "3-Monobromobisphenol A", "Monobromobisphenol A" ] }, { "compound_id": "C13624", "inchi": "InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3", "name": "Bisphenol A", "names": [ "2,2-Bis(4-Hydroxyphenyl)propane", "Bisphenol A" ] }, { "compound_id": "C13625", "inchi": "InChI=1S/C18H20O2/c1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h4-11,19-20H,1,12H2,2-3H3", "name": "4-Methyl-2,4-bis-(p-hydroxyphenyl)pent-1-ene", "names": [ "4-Methyl-2,4-bis-(p-hydroxyphenyl)pent-1-ene" ] }, { "compound_id": "C13626", "inchi": "InChI=1S/C15H16O3/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9,16-18H,1-2H3", "name": "5-Hydroxybisphenol A", "names": [ "5-Hydroxybisphenol", "5-Hydroxybisphenol A", "BPAcatechol" ] }, { "compound_id": "C13628", "inchi": "InChI=1S/C15H14O3/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9,16H,1-2H3", "name": "4,5-Bisphenol-o-quinone", "names": [ "4,5-Bisphenol-o-quinone", "BPAquinone" ] }, { "compound_id": "C13629", "inchi": "InChI=1S/C15H16O3/c1-15(18,12-4-8-14(17)9-5-12)10-11-2-6-13(16)7-3-11/h2-9,16-18H,10H2,1H3", "name": "1,2-Bis(4-hydroxyphenyl)-2-propanol", "names": [ "1,2-Bis(4-hydroxyphenyl)-2-propanol" ] }, { "compound_id": "C13630", "inchi": "InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3", "name": "7-Ethoxyresorufin", "names": [ "7-Ethoxyphenoxazone", "7-Ethoxyresorufin" ] }, { "compound_id": "C13631", "inchi": "InChI=1S/C15H16O3/c1-15(10-16,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16-18H,10H2,1H3", "name": "2,2-Bis(4-hydroxyphenyl)-1-propanol", "names": [ "2,2-Bis(4-hydroxyphenyl)-1-propanol" ] }, { "compound_id": "C13632", "inchi": "InChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,1H3/b11-10+", "name": "4,4'-Dihydroxy-alpha-methylstilbene", "names": [ "4,4'-Dihydroxy-alpha-methylstilbene" ] }, { "compound_id": "C13633", "inchi": "InChI=1S/C15H14O4/c1-15(14(18)19,10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11/h2-9,16-17H,1H3,(H,18,19)", "name": "2,2-Bis(4-hydroxyphenyl)-propanoic acid", "names": [ "2,2-Bis(4-hydroxyphenyl)-propanoic acid" ] }, { "compound_id": "C13634", "inchi": "InChI=1S/C15H16O4/c16-10-15(19,12-3-7-14(18)8-4-12)9-11-1-5-13(17)6-2-11/h1-8,16-19H,9-10H2", "name": "2,3-Bis(4-hydroxyphenyl)-1,2-propanediol", "names": [ "2,3-Bis(4-hydroxyphenyl)-1,2-propanediol" ] }, { "compound_id": "C13635", "inchi": "InChI=1S/C8H8O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,9-10H,5H2", "name": "4-Hydroxyphenacyl alcohol", "names": [ "2,4'-Dihydroxyacetophenone", "4-Hydroxyphenacyl alcohol" ] }, { "compound_id": "C13636", "inchi": "InChI=1S/C8H8O3/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,10H,1H3", "name": "4-Hydroxyphenyl acetate", "names": [ "4-Hydroxyphenyl acetate" ] }, { "compound_id": "C13637", "inchi": "InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3", "name": "4-Ethylphenol", "names": [ "4-Ethylphenol", "p-Ethylphenol" ] }, { "compound_id": "C13638", "inchi": "InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3", "name": "1-(4'-Hydroxyphenyl)ethanol", "names": [ "1-(4'-Hydroxyphenyl)ethanol", "4-(1-Hydroxyethyl)phenol", "4-Hydroxy-alpha-methyl-benzenemethanol" ] }, { "compound_id": "C13639", "inchi": "InChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H", "name": "dl-Methylephedrine hydrochloride", "names": [ "dl-Methylephedrine hydrochloride" ] }, { "compound_id": "C13645", "inchi": "InChI=1S/BrH/h1H", "name": "Hydrobromic acid", "names": [ "HBr", "Hydrobromic acid" ] }, { "compound_id": "C13646", "inchi": "InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)", "name": "m-Chlorophenylbiguanide", "names": [ "m-Chlorophenylbiguanide", "mCPBG" ] }, { "compound_id": "C13650", "inchi": "InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)", "name": "Debrisoquin", "names": [ "Debrisoquin", "Debrisoquine" ] }, { "compound_id": "C13651", "inchi": null, "name": "Glucagon hydrochloride", "names": [ "Glucagon hydrochloride" ] }, { "compound_id": "C13652", "inchi": "InChI=1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1", "name": "Ampicillin sodium", "names": [ "Ampicillin sodium" ] }, { "compound_id": "C13660", "inchi": "InChI=1S/2C6H8O7.3C4H10N2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-2-6-4-3-5-1/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-6H,1-4H2", "name": "Piperazine citrate", "names": [ "Piperazine citrate" ] }, { "compound_id": "C13662", "inchi": "InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)", "name": "Arg-vasopressin", "names": [ "8-L-Arginine vasopressin", "ADH", "AVP", "Arg-vasopressin", "Argipressin" ] }, { "compound_id": "C13664", "inchi": "InChI=1S/C13H18N2O/c1-15(2,3)7-6-10-9-14-13-5-4-11(16)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3/p+1", "name": "Bufotenidine", "names": [ "5-HTQ", "Bufotenidine", "N,N,N-Trimethylserotonin" ] }, { "compound_id": "C13665", "inchi": "InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3", "name": "2-Methyl-5-hydroxytryptamine", "names": [ "2-Me 5-HT", "2-Methyl-5-hydroxytryptamine" ] }, { "compound_id": "C13666", "inchi": "InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+", "name": "Tropisetron", "names": [ "Tropisetron" ] }, { "compound_id": "C13667", "inchi": "InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)", "name": "2,3-Dioxo-6-nitro-7-sulfamoylbenzo[f]quinoxaline", "names": [ "2,3-Dioxo-6-nitro-7-sulfamoylbenzo[f]quinoxaline", "NBQX" ] }, { "compound_id": "C13668", "inchi": "InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)", "name": "6-Cyano-7-nitroquinoxaline-2,3-dione", "names": [ "6-Cyano-7-nitroquinoxaline-2,3-dione", "CNQX" ] }, { "compound_id": "C13670", "inchi": "InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1", "name": "Talampanel", "names": [ "Talampanel" ] }, { "compound_id": "C13671", "inchi": "InChI=1/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1/f/h10,13H", "name": "(S)-F-Willardiine", "names": [ "(S)-F-Willardiine" ] }, { "compound_id": "C13672", "inchi": "InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)", "name": "AMPA", "names": [ "AMPA", "alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid" ] }, { "compound_id": "C13673", "inchi": "InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)/t5-/m0/s1", "name": "(S)-ACPA", "names": [ "(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid", "(S)-ACPA" ] }, { "compound_id": "C13674", "inchi": "InChI=1S/C22H34N4O/c23-12-6-15-24-13-3-4-14-25-16-7-17-26-22(27)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,8-11,24-25H,3-4,6-7,12-18,23H2,(H,26,27)", "name": "1-Naphthylacetylspermine", "names": [ "1-Naphthylacetylspermine" ] }, { "compound_id": "C13675", "inchi": "InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2", "name": "CX-516", "names": [ "CX-516" ] }, { "compound_id": "C13676", "inchi": "InChI=1S/C19H24N2O3S/c1-14(2)25(23,24)20-13-15(3)16-9-11-18(12-10-16)21-19(22)17-7-5-4-6-8-17/h4-12,14-15,20H,13H2,1-3H3,(H,21,22)", "name": "LY395153", "names": [ "LY395153" ] }, { "compound_id": "C13677", "inchi": "InChI=1S/C14H17N2O2.HI/c1-16(2,3)10-11-4-6-12(7-5-11)15-13(17)8-9-14(15)18;/h4-9H,10H2,1-3H3;1H/q+1;/p-1", "name": "4-(N-Maleimido)benzyltrimethylammonium iodide", "names": [ "4-(N-Maleimido)benzyltrimethylammonium iodide", "MBTA" ] }, { "compound_id": "C13678", "inchi": "InChI=1S/C13H15N2O2.HI/c1-15(2,3)11-6-4-10(5-7-11)14-12(16)8-9-13(14)17;/h4-9H,1-3H3;1H/q+1;/p-1", "name": "4-(N-Maleimido)phenyltrimethylammonium iodide", "names": [ "4-(N-Maleimido)phenyltrimethylammonium iodide", "MPTA" ] }, { "compound_id": "C13679", "inchi": "InChI=1S/C20H28N8.2ClH/c21-25-23-19-11-9-15-27(17-19)13-7-5-3-1-2-4-6-8-14-28-16-10-12-20(18-28)24-26-22;;/h9-12,15-18H,1-8,13-14H2;2*1H/q+2;;/p-2", "name": "Bis(3-azidopyridinium)-1,10-decane perchlorate", "names": [ "Bis(3-azidopyridinium)-1,10-decane perchlorate", "DAPA" ] }, { "compound_id": "C13680", "inchi": "InChI=1/C22H24O8/c1-10(2)12-5-14-13(9-23)6-15(27-14)18-21(4,29-18)8-16-19-22(30-19,20(25)28-16)17(7-12)26-11(3)24/h6,9,12,16-19H,1,5,7-8H2,2-4H3/t12-,16-,17+,18+,19-,21-,22-/m1/s1", "name": "Lophotoxin", "names": [ "Lophotoxin" ] }, { "compound_id": "C13681", "inchi": "InChI=1S/C8H10N3.BF4/c1-11(2)8-5-3-7(10-9)4-6-8;2-1(3,4)5/h3-6H,1-2H3;/q+1;-1", "name": "p-N,N-(Dimethylamino)phenyldiazonium fluoroborate", "names": [ "DDF", "p-N,N-(Dimethylamino)phenyldiazonium fluoroborate" ] }, { "compound_id": "C13682", "inchi": "InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1", "name": "Dihydro-beta-erythroidine", "names": [ "Dihydro-beta-erythroidine" ] }, { "compound_id": "C13683", "inchi": "InChI=1S/C19H25NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1-2,5-7,12,16-18,20-21H,8-11,13-15H2/b7-5+,12-6+/t16?,17-,18+,19-/m1/s1", "name": "Histrionicotoxin", "names": [ "Histrionicotoxin" ] }, { "compound_id": "C13684", "inchi": "InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14?,15+,16+,18+;/m0./s1", "name": "Clindamycin hydrochloride", "names": [ "Clindamycin hydrochloride" ] }, { "compound_id": "C13687", "inchi": "InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h8,11,13-15H,9-10,12H2,1H3/b11-8+", "name": "Cunaniol", "names": [ "Cunaniol" ] }, { "compound_id": "C13688", "inchi": "InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)", "name": "delta-Guanidinovaleric acid", "names": [ "delta-Guanidinovaleric acid" ] }, { "compound_id": "C13689", "inchi": "InChI=1S/C6H4N2O3S.ClH/c7-8-5-3-1-2-4-6(5)12(9,10)11;/h1-4H;1H", "name": "m-Benzenesulfonium diazonium chloride", "names": [ "m-Benzenesulfonium diazonium chloride" ] }, { "compound_id": "C13690", "inchi": "InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)", "name": "Dopamine 3-O-sulfate", "names": [ "Dopamine 3-O-sulfate", "Dopamine 3-sulfate" ] }, { "compound_id": "C13691", "inchi": "InChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)", "name": "Dopamine 4-O-sulfate", "names": [ "Dopamine 4-O-sulfate" ] }, { "compound_id": "C13692", "inchi": "InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2", "name": "Pentylenetetrazole", "names": [ "Pentetrazol", "Pentylenetetrazole" ] }, { "compound_id": "C13693", "inchi": "InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)", "name": "4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol", "names": [ "4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol", "Gaboxadol", "THIP" ] }, { "compound_id": "C13694", "inchi": "InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)", "name": "Isoguvacine", "names": [ "Isoguvacine" ] }, { "compound_id": "C13695", "inchi": "InChI=1S/C4H6N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H,(H3,5,6)(H,7,8)/b2-1-", "name": "ZAPA", "names": [ "(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid", "ZAPA" ] }, { "compound_id": "C13696", "inchi": "InChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m1/s1", "name": "trans-3-Aminocyclopentane-1-carboxylic acid", "names": [ "trans-3-Aminocyclopentane-1-carboxylic acid" ] }, { "compound_id": "C13697", "inchi": "InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)", "name": "Fenamic acid", "names": [ "DPC", "Diphenylamine-2-carboxylic acid", "Fenamic acid" ] }, { "compound_id": "C13698", "inchi": "InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)", "name": "Niflumic acid", "names": [ "NFA", "Niflumic acid" ] }, { "compound_id": "C13699", "inchi": "InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)", "name": "9-Anthroic acid", "names": [ "9-Anthroic acid", "A9C", "Anthracene-9-carboxylic acid" ] }, { "compound_id": "C13700", "inchi": "InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)", "name": "Clofibric acid", "names": [ "Clofibric acid" ] }, { "compound_id": "C13701", "inchi": "InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)", "name": "CPP", "names": [ "2-(p-Chlorophenoxy)propionic acid", "CPP" ] }, { "compound_id": "C13702", "inchi": "InChI=1S/C17H14N2O7S3/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/b3-2+", "name": "4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid", "names": [ "4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid", "SITS" ] }, { "compound_id": "C13703", "inchi": "InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)/t17-/m0/s1", "name": "IAA-94", "names": [ "IAA-94", "Indanyloxyacetic acid" ] }, { "compound_id": "C13704", "inchi": "InChI=1S/C32H32O16S4/c1-45-29-17-5-19-11-26(50(36,37)38)13-21(30(19)46-2)7-23-15-28(52(42,43)44)16-24(32(23)48-4)8-22-14-27(51(39,40)41)12-20(31(22)47-3)6-18(29)10-25(9-17)49(33,34)35/h9-16H,5-8H2,1-4H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)", "name": "TS-TM-calix(4)arene", "names": [ "5,11,17,23-Tetrasulfonato-25,26,27,28-tetramethoxy-calix(4)arene", "TS-TM-calix(4)arene" ] }, { "compound_id": "C13705", "inchi": "InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)", "name": "5-Nitro-2-(3-phenylpropylamino)benzoic acid", "names": [ "5-Nitro-2-(3-phenylpropylamino)benzoic acid", "NPPB" ] }, { "compound_id": "C13706", "inchi": "InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)/b2-1+", "name": "DNDS", "names": [ "4,4'-Dinitrostilbene-2,2'-disulfonic acid", "DNDS" ] }, { "compound_id": "C13707", "inchi": "InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15+,17+,20+/m0/s1", "name": "RU-0211", "names": [ "Lubiprostone", "RU-0211" ] }, { "compound_id": "C13708", "inchi": "InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)", "name": "IBMX", "names": [ "3-Isobutyl-1-methyxanthine", "IBMX" ] }, { "compound_id": "C13709", "inchi": "InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)", "name": "CPX", "names": [ "8-Cyclopentyl-1,3-dipropylxanthine", "CPX" ] }, { "compound_id": "C13710", "inchi": "InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)", "name": "4-PIOL", "names": [ "4-PIOL", "5-(4-Piperidyl)isoxazol-3-ol" ] }, { "compound_id": "C13711", "inchi": "InChI=1S/C6H8N2OS/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)", "name": "Thio-THIP", "names": [ "Thio-4,5,6,7-tetrahydroisoxazolo(5,4-c)pyridin-3-ol", "Thio-THIP" ] }, { "compound_id": "C13712", "inchi": "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1", "name": "3alpha-Hydroxy-5alpha-pregnan-20-one", "names": [ "3alpha-Hydroxy-5alpha-pregnan-20-one", "3alpha-OH DHP" ] }, { "compound_id": "C13713", "inchi": "InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1", "name": "Allotetrahydrodeoxycorticosterone", "names": [ "3alpha,21-Dihydroxy-5alpha-pregnan-20-one", "5alpha-THDOC", "Allotetrahydrodeoxycorticosterone" ] }, { "compound_id": "C13714", "inchi": "InChI=1S/C7H12O2/c1-3-7(2)4-5-9-6(7)8/h3-5H2,1-2H3", "name": "alpha-EMGBL", "names": [ "2-Ethyl-2-methyl-4-butyrolactone", "alpha-EMGBL" ] }, { "compound_id": "C13715", "inchi": "InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3", "name": "Miltirone", "names": [ "Miltirone" ] }, { "compound_id": "C13716", "inchi": "InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3", "name": "Ro 19-4603", "names": [ "RO19-4603", "Ro 19-4603" ] }, { "compound_id": "C13717", "inchi": "InChI=1S/C7H12O2/c1-3-7(2)4-6(8)9-5-7/h3-5H2,1-2H3", "name": "beta-EMGBL", "names": [ "beta-EMGBL", "beta-Ethyl-beta-methyl-gamma-butyrolactone" ] }, { "compound_id": "C13718", "inchi": "InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5?,6-,7+,10+,11-/m1/s1", "name": "Dieldrin", "names": [ "Dieldrin" ] }, { "compound_id": "C13719", "inchi": "InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)", "name": "Nocodazole", "names": [ "Nocodazole" ] }, { "compound_id": "C13720", "inchi": "InChI=1S/C7H12OS/c1-3-7(2)4-5-9-6(7)8/h3-5H2,1-2H3", "name": "alpha-EMTBL", "names": [ "alpha-EMTBL", "alpha-Ethyl-alpha-methyl-thiobutyrolactone" ] }, { "compound_id": "C13721", "inchi": "InChI=1S/C19H15BN.Na/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H;/q-1;+1", "name": "Cyanotriphenylborate", "names": [ "Cyanotriphenylborate" ] }, { "compound_id": "C13722", "inchi": "InChI=1S/C18H28N5O19P3/c1-6(25)36-3-8-12(40-43(27,28)29)13(41-44(30,31)32)10(26)18(38-8)39-11-7(2-24)37-17(14(11)42-45(33,34)35)23-5-22-9-15(19)20-4-21-16(9)23/h4-5,7-8,10-14,17-18,24,26H,2-3H2,1H3,(H2,19,20,21)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)/t7-,8-,10-,11-,12-,13-,14-,17-,18-/m1/s1", "name": "Adenophostin B", "names": [ "Adenophostin B" ] }, { "compound_id": "C13723", "inchi": null, "name": "Dextran sulfate", "names": [ "Dextran sulfate" ] }, { "compound_id": "C13724", "inchi": null, "name": "Polyvinyl sulfate", "names": [ "Polyvinyl sulfate" ] }, { "compound_id": "C13725", "inchi": "InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1", "name": "Patent blue", "names": [ "Patent blue" ] }, { "compound_id": "C13726", "inchi": null, "name": "Pentosan sulfate", "names": [ "Pentosan sulfate" ] }, { "compound_id": "C13727", "inchi": "InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1", "name": "Adenophostin A", "names": [ "Adenophostin A" ] }, { "compound_id": "C13728", "inchi": "InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)", "name": "4-Aminopyridine", "names": [ "4-AP", "4-Aminopyridine" ] }, { "compound_id": "C13729", "inchi": "InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2", "name": "Pinacidil", "names": [ "Pinacidil" ] }, { "compound_id": "C13730", "inchi": "InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1", "name": "LY382884", "names": [ "LY382884" ] }, { "compound_id": "C13731", "inchi": "InChI=1S/C12H11N3O4/c16-12-11(14-17)8-5-9(15(18)19)6-3-1-2-4-7(6)10(8)13-12/h5,17H,1-4H2,(H,13,14,16)", "name": "NS-102", "names": [ "NS-102" ] }, { "compound_id": "C13732", "inchi": "InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1", "name": "Domoic acid", "names": [ "Domoic acid" ] }, { "compound_id": "C13733", "inchi": "InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1", "name": "(S)-ATPA", "names": [ "(S)-ATPA" ] }, { "compound_id": "C13734", "inchi": "InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)", "name": "2-Amino-5-phosphopentanoic acid", "names": [ "2-Amino-5-phosphopentanoic acid" ] }, { "compound_id": "C13735", "inchi": "InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1", "name": "Selfotel", "names": [ "Selfotel" ] }, { "compound_id": "C13736", "inchi": "InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3", "name": "Memantine", "names": [ "Memantine" ] }, { "compound_id": "C13737", "inchi": "InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1", "name": "Dizocilpine", "names": [ "Dizocilpine", "MK801" ] }, { "compound_id": "C13738", "inchi": "InChI=1S/C3H5N5O2/c4-1(3(9)10)2-5-7-8-6-2/h1H,4H2,(H,9,10)(H,5,6,7,8)", "name": "Tet-glycine", "names": [ "5-Tetrazolyl-glycine", "Tet-glycine" ] }, { "compound_id": "C13739", "inchi": "InChI=1S/C6H8N2O4/c1-2-3(4(7)6(10)11)5(9)8-12-2/h4H,7H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1", "name": "(R)-AMAA", "names": [ "(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid", "(R)-AMAA" ] }, { "compound_id": "C13740", "inchi": "InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1", "name": "alpha,beta-Methylene ATP", "names": [ "alpha,beta-Methylene ATP" ] }, { "compound_id": "C13741", "inchi": "InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1", "name": "beta,gamma-Methylene ATP", "names": [ "AMP-PCP", "beta,gamma-Methylene ATP" ] }, { "compound_id": "C13742", "inchi": "InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1", "name": "Adenosine 5-O-(3-thiotriphophate)", "names": [ "ATP-gamma-S", "Adenosine 5'-(gamma-thio)triphosphate", "Adenosine 5-O-(3-thiotriphophate)", "atp--s", "atp-g--s" ] }, { "compound_id": "C13743", "inchi": "InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1", "name": "Adenosine 5-O-(3-thiodiphophate)", "names": [ "ADP-gamma-S", "Adenosine 5-O-(3-thiodiphophate)" ] }, { "compound_id": "C13744", "inchi": "InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1", "name": "3'-O-(4-Benzoyl)benzoyl ATP", "names": [ "3'-O-(4-Benzoyl)benzoyl ATP", "BzATP" ] }, { "compound_id": "C13745", "inchi": "InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-16+", "name": "Pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid", "names": [ "PPADS", "Pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid" ] }, { "compound_id": "C13746", "inchi": "InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)", "name": "Reactive blue 2", "names": [ "Reactive blue 2" ] }, { "compound_id": "C13747", "inchi": "InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)", "name": "1,7-Dimethylxanthine", "names": [ "1,7-Dimethylxanthine", "Paraxanthine" ] }, { "compound_id": "C13748", "inchi": "InChI=1S/C12H8Br2N2O/c1-16-8-4-7(13)12(17)11(14)10(8)6-2-3-15-5-9(6)16/h2-5,17H,1H3", "name": "9-Methyl-7-bromoeudistomin D", "names": [ "9-Methyl-7-bromoeudistomin D", "MBED" ] }, { "compound_id": "C13749", "inchi": "InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)", "name": "Sulmazole", "names": [ "Sulmazole" ] }, { "compound_id": "C13750", "inchi": "InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21-,24-,27+,28+,29-,30+,31+/m1/s1", "name": "Batrachotoxin", "names": [ "Batrachotoxin" ] }, { "compound_id": "C13751", "inchi": "InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)", "name": "Benzamil", "names": [ "Benzamil" ] }, { "compound_id": "C13752", "inchi": "InChI=1S/C12H12ClN7O/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6/h1-5H,(H4,14,15,19)(H3,16,17,20,21)", "name": "Phenylamil", "names": [ "Phenamil", "Phenylamil" ] }, { "compound_id": "C13753", "inchi": "InChI=1S/C8H12ClN7O/c1-16(2)8(12)15-7(17)3-5(10)14-6(11)4(9)13-3/h1-2H3,(H4,10,11,14)(H2,12,15,17)", "name": "6-Chloro-3,5-diaminopyrazine-3-carboxamide", "names": [ "6-Chloro-3,5-diaminopyrazine-3-carboxamide", "CDPC" ] }, { "compound_id": "C13756", "inchi": "InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1", "name": "Dicloxacillin sodium", "names": [ "Dicloxacillin sodium", "Dicloxacillin sodium monohydrate" ] }, { "compound_id": "C13757", "inchi": "InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1", "name": "Saxitoxin", "names": [ "Saxitoxin" ] }, { "compound_id": "C13758", "inchi": "InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3", "name": "Bay-K-8644", "names": [ "Bay-K-8644", "BayK8644" ] }, { "compound_id": "C13759", "inchi": "InChI=1S/C22H21NO3/c1-14-19(20(15(2)23-14)22(25)26-3)21(24)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3", "name": "FPL64176", "names": [ "FPL64176", "Methyl-2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate" ] }, { "compound_id": "C13760", "inchi": "InChI=1S/C28H26ClN3O3/c1-18-24(27(33)32-21-11-4-3-5-12-21)26(22-13-6-7-14-23(22)29)25(19(2)31-18)28(34)35-17-15-20-10-8-9-16-30-20/h3-14,16,26,31H,15,17H2,1-2H3,(H,32,33)", "name": "YC 170", "names": [ "YC 170" ] }, { "compound_id": "C13761", "inchi": "InChI=1S/C18H17F2NO5/c1-3-24-16(22)13-9(2)21-11-8-25-17(23)15(11)14(13)10-6-4-5-7-12(10)26-18(19)20/h4-7,14,18,21H,3,8H2,1-2H3", "name": "CGP 28-392", "names": [ "CGP 28 392", "CGP 28-392" ] }, { "compound_id": "C13762", "inchi": "InChI=1S/C17H18N4O5/c1-8(2)25-17(22)13-9(3)18-10(4)16(21(23)24)14(13)11-6-5-7-12-15(11)20-26-19-12/h5-8,14,18H,1-4H3/t14-/m0/s1", "name": "202-791", "names": [ "202-791", "PN 202-791" ] }, { "compound_id": "C13763", "inchi": "InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3", "name": "Devapamil", "names": [ "Devapamil" ] }, { "compound_id": "C13764", "inchi": "InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3", "name": "Gallopamil", "names": [ "Gallopamil" ] }, { "compound_id": "C13765", "inchi": "InChI=1S/C26H37NO8S2/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5/h8-11,18-19H,6-7,12-17H2,1-5H3", "name": "Tiapamil", "names": [ "Tiapamil" ] }, { "compound_id": "C13766", "inchi": "InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3", "name": "Emopamil", "names": [ "Emopamil" ] }, { "compound_id": "C13767", "inchi": "InChI=1S/C15H14O5/c1-3-17-12-9-5-6-11(16)20-14(9)15(18-4-2)13-10(12)7-8-19-13/h5-8H,3-4H2,1-2H3", "name": "H37", "names": [ "5,8-Diethoxypsoralen", "H37" ] }, { "compound_id": "C13768", "inchi": null, "name": "Colistin sulfate", "names": [ "Colistin sulfate" ] }, { "compound_id": "C13769", "inchi": "InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3", "name": "Bufuralol", "names": [ "Bufuralol" ] }, { "compound_id": "C13771", "inchi": "InChI=1S/C29H27N3O3/c33-28(31-19-17-24-13-8-9-18-30-24)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-32-29(34)35-21-22-10-2-1-3-11-22/h1-16,18H,17,19-21H2,(H,31,33)(H,32,34)", "name": "S9947", "names": [ "2'-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide", "S9947" ] }, { "compound_id": "C13772", "inchi": "InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1", "name": "Clofilium", "names": [ "Clofilium" ] }, { "compound_id": "C13773", "inchi": "InChI=1S/C4H10N3O2/c1-3-6(4-2)7(9)5-8/h3-4H2,1-2H3/q-1", "name": "1,1-Diethyl-2-hydroxy-2-nitrosohydrazine", "names": [ "1,1-Diethyl-2-hydroxy-2-nitrosohydrazine", "D-NONOate" ] }, { "compound_id": "C13774", "inchi": null, "name": "Iron dextran", "names": [ "Iron dextran", "Iron dextran complex" ] }, { "compound_id": "C13776", "inchi": "InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3", "name": "E-4031", "names": [ "E-4031" ] }, { "compound_id": "C13777", "inchi": "InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+", "name": "Azimilide", "names": [ "Azimilide" ] }, { "compound_id": "C13778", "inchi": "InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3", "name": "HMR1556", "names": [ "HMR1556" ] }, { "compound_id": "C13779", "inchi": "InChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2", "name": "XE991", "names": [ "XE991" ] }, { "compound_id": "C13780", "inchi": "InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2", "name": "Linopirdine", "names": [ "Linopirdine" ] }, { "compound_id": "C13781", "inchi": null, "name": "Teicoplanin A2", "names": [ "Teichomycin A2", "Teicoplanin A2" ] }, { "compound_id": "C13782", "inchi": "InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1", "name": "Paxilline", "names": [ "Paxilline" ] }, { "compound_id": "C13783", "inchi": "InChI=1S/C34H28N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20H,21-24H2/p+2/b35-31+,36-32+", "name": "UCL 1684", "names": [ "6,10-Diaza-3(1,3)8,(1,4)-dibenzena-1,5(1,4)-diquinolinacyclodecaphane", "UCL 1684" ] }, { "compound_id": "C13784", "inchi": "InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H", "name": "TRAM-34", "names": [ "1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole", "TRAM-34" ] }, { "compound_id": "C13785", "inchi": "InChI=1S/C19H15ClO/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,21H", "name": "TRAM-3", "names": [ "(2-Chlorophenyl)diphenylmethanol", "TRAM-3" ] }, { "compound_id": "C13786", "inchi": "InChI=1S/C20H31NO2S/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17/h10,15-17,19H,1-9,11-14H2", "name": "Cetiedil", "names": [ "Cetiedil" ] }, { "compound_id": "C13787", "inchi": "InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h7,9,18H,3-6,8,10-17H2,1-2H3,(H,20,21)/b9-7-", "name": "17-Methyl-6Z-octadecenoic acid", "names": [ "17-Methyl-6Z-octadecenoate", "17-Methyl-6Z-octadecenoic acid" ] }, { "compound_id": "C13788", "inchi": "InChI=1S/C30H31N/c1-2-12-22-31(21-11-1)23-13-10-20-30(24-25-14-4-3-5-15-25)28-18-8-6-16-26(28)27-17-7-9-19-29(27)30/h3-9,14-19H,1-2,11-12,20-24H2", "name": "UCL 1608", "names": [ "UCL 1608" ] }, { "compound_id": "C13789", "inchi": null, "name": "Trichomycin", "names": [ "Hachimycin", "Trichomycin" ] }, { "compound_id": "C13790", "inchi": "InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m0/s1", "name": "2S-Hydroxytetradecanoic acid", "names": [ "2S-Hydroxytetradecanoate", "2S-Hydroxytetradecanoic acid" ] }, { "compound_id": "C13791", "inchi": "InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-17(21-16)14-11-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m0/s1", "name": "(6R,7S)-6,7-Epoxyoctadecanoic acid", "names": [ "(6R,7S)-6,7-Epoxyoctadecanoic acid", "6R,7S-Epoxy-octadecanoate", "6R,7S-Epoxy-octadecanoic acid" ] }, { "compound_id": "C13792", "inchi": "InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h12-13,16H,3-11,14-15H2,1-2H3,(H,18,19)/b13-12-", "name": "2-Methoxy-5Z-hexadecenoic acid", "names": [ "(5Z)-2-Methoxyhexadecenoic acid", "2-Methoxy-5Z-hexadecenoate", "2-Methoxy-5Z-hexadecenoic acid" ] }, { "compound_id": "C13793", "inchi": "InChI=1S/C7H11BrO2/c1-2-3-4-6(8)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5-", "name": "3-Bromo-2Z-heptenoic acid", "names": [ "(2Z)-3-Bromoheptenoic acid", "3-Bromo-2Z-heptenoate", "3-Bromo-2Z-heptenoic acid" ] }, { "compound_id": "C13794", "inchi": "InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2", "name": "Pitrazepin", "names": [ "Pitrazepin" ] }, { "compound_id": "C13795", "inchi": "InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)/t12-/m0/s1", "name": "2S-Amino-tridecanoic acid", "names": [ "(S)-2-Aminotridecanoic acid", "2S-Amino-tridecanoate", "2S-Amino-tridecanoic acid" ] }, { "compound_id": "C13796", "inchi": "InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)", "name": "SR95531", "names": [ "SR95531" ] }, { "compound_id": "C13797", "inchi": "InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)/t10-,11+,12+,13+,16-,17+,18+/m1/s1", "name": "RU 5135", "names": [ "RU 5135" ] }, { "compound_id": "C13798", "inchi": "InChI=1S/C18H30O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)", "name": "8-(5-Hexyl-furan-2-yl)-octanoic acid", "names": [ "8-(5-Hexyl-furan-2-yl)-octanoate", "8-(5-Hexyl-furan-2-yl)-octanoic acid" ] }, { "compound_id": "C13799", "inchi": "InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1", "name": "(+)-Hydrastine", "names": [ "(+)-Hydrastine", "(+)-beta-Hydrastine" ] }, { "compound_id": "C13800", "inchi": "InChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+", "name": "10-Nitrolinoleic acid", "names": [ "(9E,12Z)-10-Nitrooctadeca-9,12-dienoic acid", "10-Nitrolinoleic acid", "10-nitro-9-cis,12-cis-octadecadienoate", "10-nitro-9-cis,12-cis-octadecadienoic acid" ] }, { "compound_id": "C13802", "inchi": "InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1", "name": "Prostaglandin D3", "names": [ "Prostaglandin D3" ] }, { "compound_id": "C13803", "inchi": "InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1", "name": "Alphaxalone", "names": [ "Alfaxalone", "Alphaxalone" ] }, { "compound_id": "C13804", "inchi": "InChI=1S/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17?,18?,19?,20?,21-,22-,24-,25-/m0/s1", "name": "ORG 20599", "names": [ "ORG 20599" ] }, { "compound_id": "C13805", "inchi": "InChI=1S/C16H16N2O2/c1-2-3-8-20-16(19)14-9-12-11-6-4-5-7-13(11)18-15(12)10-17-14/h4-7,9-10,18H,2-3,8H2,1H3", "name": "N-Butyl-beta-carboline-3-carboxylate", "names": [ "N-Butyl-beta-carboline-3-carboxylate" ] }, { "compound_id": "C13806", "inchi": "InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1", "name": "Philanthotoxin 343", "names": [ "Philanthotoxin 343" ] }, { "compound_id": "C13807", "inchi": "InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1", "name": "Levuglandin E2", "names": [ "10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoate", "10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid", "LGE2", "Levuglandin E2" ] }, { "compound_id": "C13808", "inchi": "InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1", "name": "Levuglandin D2", "names": [ "9,10-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoate", "9,10-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid", "LGD2", "Levuglandin D2" ] }, { "compound_id": "C13809", "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1", "name": "9,11,15-Trihydroxy-prosta-5,13-dien-1-oic acid", "names": [ "8-Isoprostaglandin F2alpha", "8-Isoprostane", "8-epi-Prostaglandin F2alpha", "9,11,15-Trihydroxy-prosta-5,13-dien-1-oic acid" ] }, { "compound_id": "C13810", "inchi": "InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11-,22-13-/t21-,25-/m0/s1", "name": "Clavulone I", "names": [ "Clavulone I" ] }, { "compound_id": "C13811", "inchi": "InChI=1S/C6H10O4.C4H10N2/c7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2", "name": "Piperazine adipate", "names": [ "Piperazine adipate" ] }, { "compound_id": "C13812", "inchi": "InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11+,22-13-/t21-,25-/m0/s1", "name": "Clavulone II", "names": [ "Clavulone II" ] }, { "compound_id": "C13813", "inchi": "InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11+,22-13+/t21-,25-/m0/s1", "name": "Clavulone III", "names": [ "Clavulone III" ] }, { "compound_id": "C13814", "inchi": "InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11-,22-13+/t21-,25-/m0/s1", "name": "Clavulone IV", "names": [ "Clavulone IV" ] }, { "compound_id": "C13815", "inchi": "InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1", "name": "Tetrapentylammonium", "names": [ "Tetrapentylammonium" ] }, { "compound_id": "C13816", "inchi": "InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1", "name": "(9R,13R)-12-Oxo-phytodienoic acid", "names": [ "(10Z,15Z)-(9R,13R)-12-Oxophyto-10,15-dienoic acid", "(9R,13R)-12-Oxo-phyto-10Z,15Z-dienoic acid", "(9R,13R)-12-Oxo-phytodienoic acid" ] }, { "compound_id": "C13817", "inchi": "InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1", "name": "8-Br-cGMP", "names": [ "8-Br-cGMP", "8-Bromocyclic GMP" ] }, { "compound_id": "C13818", "inchi": "InChI=1S/C22H34O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-21,23-25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+", "name": "F4-Neuroprostane (4-series)", "names": [ "F4-Neuroprostane (4-series)" ] }, { "compound_id": "C13819", "inchi": "InChI=1S/C22H34O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+", "name": "F4-Neuroprostane (7-series)", "names": [ "F4-Neuroprostane (7-series)" ] }, { "compound_id": "C13820", "inchi": "InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1", "name": "Chromanol 293B", "names": [ "Chromanol 293B" ] }, { "compound_id": "C13821", "inchi": "InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3", "name": "1-Hexadecyl hexadecanoate", "names": [ "1-Hexadecyl hexadecanoate" ] }, { "compound_id": "C13822", "inchi": "InChI=1S/C42H82O4/c1-5-8-11-14-17-18-19-20-21-22-23-24-25-26-29-30-33-36-40(46-42(44)38-35-32-28-16-13-10-7-3)39(4)45-41(43)37-34-31-27-15-12-9-6-2/h39-40H,5-38H2,1-4H3/t39-,40+/m0/s1", "name": "2S,3R-Didecanoyl-docosane-2,3-diol", "names": [ "2S,3R-Didecanoyl-docosane-2,3-diol" ] }, { "compound_id": "C13823", "inchi": "InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2", "name": "11-Undecanolactone", "names": [ "11-Undecanolactone" ] }, { "compound_id": "C13824", "inchi": "InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1", "name": "R-L3", "names": [ "R-L3" ] }, { "compound_id": "C13825", "inchi": "InChI=1S/C16H24N5O8P/c1-2-3-4-5-10(22)29-30(25,26)27-6-9-12(23)13(24)16(28-9)21-8-20-11-14(17)18-7-19-15(11)21/h7-9,12-13,16,23-24H,2-6H2,1H3,(H,25,26)(H2,17,18,19)/t9-,12-,13-,16-/m1/s1", "name": "O-Hexanoyl-adnosine monophosphate", "names": [ "O-Hexanoyl-adnosine monophosphate" ] }, { "compound_id": "C13826", "inchi": "InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)", "name": "Retigabine", "names": [ "D-23129", "N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester", "Retigabine" ] }, { "compound_id": "C13827", "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H", "name": "Chloroform", "names": [ "Chloroform", "Trichloromethane", "trichloromethane" ] }, { "compound_id": "C13828", "inchi": "InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-", "name": "8,11,14-Eicosatrienoylethanolamide", "names": [ "8,11,14-Eicosatrienoylethanolamide", "N-(8Z,11Z,14Z-icosatrienoyl)-ethanolamide" ] }, { "compound_id": "C13829", "inchi": "InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-", "name": "7,10,13,16-Docosatetraenoylethanolamine", "names": [ "7,10,13,16-Docosatetraenoylethanolamine", "N-(7Z,10Z,13Z,16Z-docosatetraenoyl)-ethanolamide" ] }, { "compound_id": "C13830", "inchi": "InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m1/s1", "name": "BMS 204352", "names": [ "BMS 204352", "Flindokalner" ] }, { "compound_id": "C13831", "inchi": "InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)", "name": "Dodecanamide", "names": [ "Dodecanamide" ] }, { "compound_id": "C13832", "inchi": "InChI=1S/C18H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h8-9,11-12,14-15H,2-7,10,13,16-17H2,1H3/b9-8-,12-11-,15-14-", "name": "4Z,7Z,10Z-Octadecatrienenitrile", "names": [ "4Z,7Z,10Z-Octadecatrienenitrile" ] }, { "compound_id": "C13833", "inchi": "InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)", "name": "NS 1619", "names": [ "NS 1619" ] }, { "compound_id": "C13834", "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3", "name": "Tridecane", "names": [ "Tridecane" ] }, { "compound_id": "C13835", "inchi": "InChI=1S/C14H10ClF3N2O2/c15-9-4-5-12(21)11(7-9)20-13(22)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,21H,(H2,19,20,22)", "name": "NS 1608", "names": [ "NS 1608" ] }, { "compound_id": "C13836", "inchi": "InChI=1S/C20H17F3N2O4/c1-3-29-18(27)16-14-9-6-12(20(21,22)23)10-15(14)25(17(16)26)19(28)24-13-7-4-11(2)5-8-13/h4-10,26H,3H2,1-2H3,(H,24,28)", "name": "CGS 7181", "names": [ "CGS 7181" ] }, { "compound_id": "C13837", "inchi": "InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37?,38?,40?,41?,42+,44+,45-,46+,47+,48+/m0/s1", "name": "Dehydrosoyasaponin I", "names": [ "DHS-I", "Dehydrosoyasaponin I" ] }, { "compound_id": "C13838", "inchi": "InChI=1S/C19H36O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17-,18+/m0/s1", "name": "Lactobacillic acid", "names": [ "11R,12S-Methylene-octadecanoic acid", "Lactobacillic acid" ] }, { "compound_id": "C13840", "inchi": "InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)", "name": "1-Ethyl-2-benzimidazolinone", "names": [ "1-EBIO", "1-Ethyl-2-benzimidazolinone" ] }, { "compound_id": "C13841", "inchi": "InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)", "name": "Zoxazolamine", "names": [ "Zoxazolamine" ] }, { "compound_id": "C13842", "inchi": "InChI=1S/C77H150O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-56-58-60-62-64-66-68-70-72-74-76(78)75(77(79)80)73-71-69-67-65-63-61-59-57-55-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,46-47,75-76,78H,3-30,33-45,48-74H2,1-2H3,(H,79,80)/b32-31-,47-46+", "name": "alpha-Semegma mycolic acid", "names": [ "alpha-Semegma mycolic acid" ] }, { "compound_id": "C13843", "inchi": "InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-/t18-,19+/m0/s1", "name": "17R,18S-Epoxy-5Z,8Z,11Z,14Z-icosatetraenoic acid", "names": [ "(5Z,8Z,11Z,14Z)-(17R,18S)-17,18-Epoxyicosa-5,8,11,14-tetraenoic acid", "17R,18S-Epoxy-5Z,8Z,11Z,14Z-icosatetraenoic acid" ] }, { "compound_id": "C13844", "inchi": "InChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)", "name": "DCEBIO", "names": [ "5,6-Dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one", "DCEBIO" ] }, { "compound_id": "C13845", "inchi": "InChI=1S/C41H71NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-37-38(3)39(36-42)46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,39H,3-17,22-35,37H2,1-2H3/b20-18-,21-19-", "name": "1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol", "names": [ "1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol" ] }, { "compound_id": "C13846", "inchi": "InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)", "name": "Octadecanamide", "names": [ "Octadecanamide", "Stearamide", "Stearic acid amide" ] }, { "compound_id": "C13847", "inchi": "InChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3/b22-20-", "name": "CP 339818", "names": [ "CP 339818" ] }, { "compound_id": "C13848", "inchi": "InChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3", "name": "UK 78282", "names": [ "UK 78282" ] }, { "compound_id": "C13849", "inchi": "InChI=1S/C40H52O16/c1-18-16-39(48)26-14-15-35(8)25-12-13-27(46)50-17-38(25,19(2)51-20(3)41)31(53-22(5)43)28(52-21(4)42)29(35)36(26,9)32(54-23(6)44)33(55-24(7)45)37(39,10)40(30(18)56-40)34(47)49-11/h12-13,19,25-26,28-33,48H,1,14-17H2,2-11H3/t19-,25+,26-,28+,29+,30-,31?,32-,33+,35+,36+,37-,38-,39-,40+/m1/s1", "name": "Correolide", "names": [ "Correolide" ] }, { "compound_id": "C13851", "inchi": "InChI=1S/C29H35N3O7.ClH/c1-30(18-15-21-7-13-25(36-2)27(19-21)38-4)16-6-17-31(24-12-14-26(37-3)28(20-24)39-5)29(33)22-8-10-23(11-9-22)32(34)35;/h7-14,19-20H,6,15-18H2,1-5H3;1H", "name": "BRL 32872", "names": [ "BRL 32872" ] }, { "compound_id": "C13852", "inchi": "InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)", "name": "Sipatrigine", "names": [ "BW619C89", "Sipatrigine" ] }, { "compound_id": "C13853", "inchi": "InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1", "name": "L 735821", "names": [ "L 735821" ] }, { "compound_id": "C13854", "inchi": "InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m0/s1", "name": "1-Dodecanoyl-sn-glycerol", "names": [ "1-Dodecanoyl-sn-glycerol" ] }, { "compound_id": "C13856", "inchi": "InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-", "name": "2-Arachidonoylglycerol", "names": [ "2-AG", "2-Arachidonoyl-sn-glycerol", "2-Arachidonoylglycerol" ] }, { "compound_id": "C13857", "inchi": "InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-", "name": "1-Arachidonoylglycerol", "names": [ "1-Arachidonoyl-sn-glycerol", "1-Arachidonoylglycerol" ] }, { "compound_id": "C13858", "inchi": "InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3", "name": "1-O-Octadecyl-sn-glycerol", "names": [ "1-O-Octadecyl-sn-glycerol", "1-O-Octadecylglycerol", "Batyl alcohol", "Glycerol octadecyl ether" ] }, { "compound_id": "C13859", "inchi": "InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3", "name": "1-O-Hexadecyl-sn-glycerol", "names": [ "1-O-Hexadecyl-sn-glycerol", "1-O-Hexadecylglycerol", "Chimyl alcohol", "Glycerol hexadecyl ether" ] }, { "compound_id": "C13860", "inchi": "InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h9-10,21-23H,2-8,11-20H2,1H3/b10-9-", "name": "1-O-Octadec-9-enyl glycerol", "names": [ "1-O-Octadec-9-enyl glycerol", "Selachyl alcohol" ] }, { "compound_id": "C13861", "inchi": "InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol" ] }, { "compound_id": "C13862", "inchi": "InChI=1S/C37H72O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(39)41-36(34-38)35-40-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,36,38H,3-16,18,20-35H2,1-2H3/b19-17-/t36-/m0/s1", "name": "1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol", "names": [ "1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol" ] }, { "compound_id": "C13863", "inchi": "InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37?,38?,39?,40?,41?,42?,43-/m1/s1", "name": "2,3-Di-O-phytanyl-sn-glycerol", "names": [ "2,3-Di-O-phytanyl-sn-glycerol", "Archaeol" ] }, { "compound_id": "C13864", "inchi": "InChI=1S/C35H66O4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(37)39-34(32-36)33-38-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,29,31,34,36H,3-16,19-28,30,32-33H2,1-2H3/b18-17-,31-29-/t34-/m0/s1", "name": "1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol", "names": [ "1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol" ] }, { "compound_id": "C13867", "inchi": "InChI=1S/C57H88O8/c1-4-7-10-13-16-18-20-22-24-26-28-30-33-37-42-47-55(59)63-51-53(65-57(61)49-44-38-34-31-29-27-25-23-21-19-17-14-11-8-5-2)52-64-56(60)48-43-39-35-40-45-50-62-54(58)46-41-36-32-15-12-9-6-3/h7-8,10-11,16-19,22-25,32,35-36,41,45-46,53H,4-6,9,12-15,20-21,26-31,33-34,37-39,42-44,47-52H2,1-3H3/b10-7-,11-8-,18-16-,19-17-,24-22-,25-23-,36-32-,46-41+", "name": "1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol", "names": [ "1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol" ] }, { "compound_id": "C13869", "inchi": "InChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3", "name": "1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol", "names": [ "1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol" ] }, { "compound_id": "C13870", "inchi": "InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3", "name": "Tributyrin", "names": [ "Glycerol tributyrate", "Glyceryl tributyrate", "Tributyrin", "Tributyrylglycerol", "tributyrylglycerol" ] }, { "compound_id": "C13871", "inchi": "InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38?,39-,42+,43+,44-,45-/m1/s1", "name": "1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol", "names": [ "1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol" ] }, { "compound_id": "C13872", "inchi": "InChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85?,86?/m1/s1", "name": "Caldarchaeol", "names": [ "Caldarchaeol" ] }, { "compound_id": "C13874", "inchi": "InChI=1S/C98H192O16/c1-71-29-17-33-75(5)41-25-49-83(13)57-61-107-67-87(65-99)109-63-59-85(15)51-27-43-77(7)35-19-31-73(3)39-23-47-81(11)55-53-80(10)46-22-38-72(2)30-18-34-76(6)42-26-50-84(14)58-62-108-68-88(69-111-97-96(106)94(104)92(102)90(114-97)70-112-98-95(105)93(103)91(101)89(66-100)113-98)110-64-60-86(16)52-28-44-78(8)36-20-32-74(4)40-24-48-82(12)56-54-79(9)45-21-37-71/h71-106H,17-70H2,1-16H3/t71-,72-,73-,74-,75+,76+,77+,78+,79-,80-,81-,82-,83+,84+,85+,86+,87?,88?,89-,90-,91-,92-,93+,94+,95-,96-,97-,98-/m1/s1", "name": "Gentiobiosyl-caldarchaeol", "names": [ "Gentiobiosyl-caldarchaeol", "Glcbeta1-6Glcbeta-caldarchaeol" ] }, { "compound_id": "C13875", "inchi": "InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/p+1/b21-20-", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C13876", "inchi": "InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)50-40(39-49-51(46,47)37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/p+1/b21-20-", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine" ] }, { "compound_id": "C13877", "inchi": "InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine" ] }, { "compound_id": "C13878", "inchi": "InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)47-37(36-46-48(43,44)34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine" ] }, { "compound_id": "C13880", "inchi": "InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b18-17-/t36?,37-/m0/s1", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine" ] }, { "compound_id": "C13881", "inchi": "InChI=1S/Ba/q+2", "name": "Barium cation", "names": [ "Ba2+", "Barium cation", "Barium ion", "Barium(2+)" ] }, { "compound_id": "C13883", "inchi": "InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol" ] }, { "compound_id": "C13884", "inchi": "InChI=1S/Sr/q+2", "name": "Strontium cation", "names": [ "Sr2+", "Strontium cation", "Strontium ion", "Strontium(2+)" ] }, { "compound_id": "C13885", "inchi": "InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate" ] }, { "compound_id": "C13888", "inchi": "InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35?,38-,39-,40+,41-,42-,43-/m1/s1", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'-myo-inositol", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'-myo-inositol" ] }, { "compound_id": "C13889", "inchi": "InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17-", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate", "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate" ] }, { "compound_id": "C13890", "inchi": "InChI=1S/C37H72O11P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)47-35(34-46-50(43,44)48-49(40,41)42)33-45-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H,43,44)(H2,40,41,42)/b18-17-", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate", "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate", "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate" ] }, { "compound_id": "C13891", "inchi": "InChI=1S/C36H65N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-31(40)49-25-28(52-32(41)22-20-18-16-14-12-10-8-6-4-2)26-50-55(45,46)54-56(47,48)51-27-29-33(42)34(43)35(53-29)39-24-23-30(37)38-36(39)44/h23-24,28-29,33-35,42-43H,3-22,25-27H2,1-2H3,(H,45,46)(H,47,48)(H2,37,38,44)/t28?,29-,33-,34-,35-/m1/s1", "name": "1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate", "names": [ "1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate" ] }, { "compound_id": "C13892", "inchi": "InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h17-18,33-34,38-39,43-45,52-53H,3-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b18-17-/t38?,39-,43-,44-,45-/m1/s1", "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'-diphosphate", "names": [ "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'-diphosphate" ] }, { "compound_id": "C13894", "inchi": "InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/p+1/b22-20-", "name": "1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine", "names": [ "1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C13895", "inchi": "InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-40(42)48-39(38-47-49(43,44)46-36-34-41(3,4)5)37-45-35-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,32,35,39H,6-19,22-31,33-34,36-38H2,1-5H3/p+1/b21-20-,35-32-", "name": "1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine", "names": [ "1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C13896", "inchi": "InChI=1S/C88H178NO9P/c1-71-29-17-33-75(5)41-25-49-83(13)57-62-93-68-87(67-90)95-64-59-85(15)51-27-43-77(7)35-19-31-73(3)39-23-47-81(11)55-53-80(10)46-22-38-72(2)30-18-34-76(6)42-26-50-84(14)58-63-94-69-88(70-98-99(91,92)97-66-61-89)96-65-60-86(16)52-28-44-78(8)36-20-32-74(4)40-24-48-82(12)56-54-79(9)45-21-37-71/h71-88,90H,17-70,89H2,1-16H3,(H,91,92)/t71-,72-,73-,74-,75+,76+,77+,78+,79-,80-,81-,82-,83+,84+,85+,86+,87?,88?/m1/s1", "name": "sn-Caldarchaeo-1-phosphoethanolamine", "names": [ "sn-Caldarchaeo-1-phosphoethanolamine" ] }, { "compound_id": "C13897", "inchi": "InChI=1S/C94H190NO15P/c1-72-29-17-33-76(5)41-25-49-84(13)57-62-105-68-88(69-110-111(103,104)109-66-61-95)107-64-59-86(15)51-27-43-78(7)35-19-31-74(3)39-23-47-82(11)55-53-81(10)46-22-38-73(2)30-18-34-77(6)42-26-50-85(14)58-63-106-70-90(92(100)94(102,71-97)93(101)91(99)89(98)67-96)108-65-60-87(16)52-28-44-79(8)36-20-32-75(4)40-24-48-83(12)56-54-80(9)45-21-37-72/h72-93,96-102H,17-71,95H2,1-16H3,(H,103,104)/t72-,73-,74-,75-,76+,77+,78+,79+,80-,81-,82-,83-,84+,85+,86+,87+,88?,89?,90?,91?,92?,93?,94?/m1/s1", "name": "sn-Caldito-1-phosphoethanolamine", "names": [ "sn-Caldito-1-phosphoethanolamine" ] }, { "compound_id": "C13898", "inchi": "InChI=1S/C32H60NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31(37)41-26-29(27-43-45(39,40)42-25-24-33(2,3)4)44-32(38)21-18-19-28(34)22-23-30(35)36/h22-23,28-29,34H,5-21,24-27H2,1-4H3,(H-,35,36,39,40)/b23-22+", "name": "1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine", "names": [ "1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine" ] }, { "compound_id": "C13900", "inchi": "InChI=1S/C32H58NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31(37)41-26-29(27-43-45(39,40)42-25-24-33(2,3)4)44-32(38)21-18-19-28(34)22-23-30(35)36/h22-23,29H,5-21,24-27H2,1-4H3,(H-,35,36,39,40)/b23-22+", "name": "1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine", "names": [ "1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine" ] }, { "compound_id": "C13901", "inchi": "InChI=1S/C32H60NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31(36)40-27-30(28-42-44(38,39)41-26-24-33(2,3)4)43-32(37)23-18-20-29(35)21-19-25-34/h19,21,25,29-30,35H,5-18,20,22-24,26-28H2,1-4H3/b21-19+", "name": "1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine", "names": [ "1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine" ] }, { "compound_id": "C13902", "inchi": "InChI=1S/C32H58NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31(36)40-27-30(28-42-44(38,39)41-26-24-33(2,3)4)43-32(37)23-18-20-29(35)21-19-25-34/h19,21,25,30H,5-18,20,22-24,26-28H2,1-4H3/b21-19+", "name": "1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine", "names": [ "1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine" ] }, { "compound_id": "C13903", "inchi": "InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3", "name": "1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine", "names": [ "1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine", "1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C13906", "inchi": "InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)/t11-/m1/s1", "name": "Balofloxacin", "names": [ "Balofloxacin" ] }, { "compound_id": "C13907", "inchi": "InChI=1S/C52H100N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-38(56)34-42(57)53-45-48(61)47(60)41(72-52(45)74-76(66,67)68)37-69-51-46(49(62)50(40(36-55)71-51)73-75(63,64)65)54-43(58)35-39(32-29-26-23-20-17-14-11-8-5-2)70-44(59)33-30-27-24-21-18-15-12-9-6-3/h38-41,45-52,55-56,60-62H,4-37H2,1-3H3,(H,53,57)(H,54,58)(H2,63,64,65)(H2,66,67,68)/t38-,39+,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-/m1/s1", "name": "OM-174", "names": [ "OM-174", "Triacyl lipid A", "Triacyl lipid A OM-174" ] }, { "compound_id": "C13908", "inchi": "InChI=1S/C94H178N2O25P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)115-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)119-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)114-83(102)67-61-55-49-43-36-30-24-18-12-6)93(116-79(73-97)90(92)120-122(107,108)109)113-74-80-89(106)91(118-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(94(117-80)121-123(110,111)112)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,107,108,109)(H2,110,111,112)/t75?,76?,77?,78?,79-,80-,87-,88-,89-,90-,91-,92-,93-,94-/m1/s1", "name": "Diphosphoryl hexaacyl lipid A", "names": [ "Diphosphoryl hexaacyl lipid A" ] }, { "compound_id": "C13909", "inchi": "InChI=1S/C110H208N2O26P2/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-82-98(117)130-91(78-71-64-57-50-39-32-25-18-11-4)85-96(115)111-103-107(135-101(120)84-90(114)77-70-63-56-49-38-31-24-17-10-3)105(122)95(134-110(103)138-140(126,127)128)89-129-109-104(112-97(116)86-92(79-72-65-58-51-40-33-26-19-12-5)131-99(118)81-74-67-60-53-42-35-28-21-14-7)108(106(94(88-113)133-109)137-139(123,124)125)136-102(121)87-93(80-73-66-59-52-41-34-27-20-13-6)132-100(119)83-76-69-61-54-47-44-37-30-23-16-9-2/h90-95,103-110,113-114,122H,8-89H2,1-7H3,(H,111,115)(H,112,116)(H2,123,124,125)(H2,126,127,128)/t90?,91?,92?,93?,94-,95-,103-,104-,105-,106-,107-,108-,109-,110-/m1/s1", "name": "Diphosphoryl heptaacyl lipid A", "names": [ "Diphosphoryl heptaacyl lipid A" ] }, { "compound_id": "C13910", "inchi": "InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)", "name": "Undecylenic acid", "names": [ "Undecenoic acid", "Undecylenic acid" ] }, { "compound_id": "C13914", "inchi": "InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1", "name": "N,N-Dimethylsphing-4-enine", "names": [ "N,N-Dimethylsphing-4-enine" ] }, { "compound_id": "C13915", "inchi": "InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15-16,18-19H,2-14,17H2,1H3/t15-,16+/m0/s1", "name": "Hexadecasphinganine", "names": [ "Hexadecasphinganine" ] }, { "compound_id": "C13916", "inchi": "InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1", "name": "N-(Tetradecanoyl)-sphing-4-enine", "names": [ "N-(Tetradecanoyl)-sphing-4-enine" ] }, { "compound_id": "C13918", "inchi": "InChI=1S/C66H125NO5/c1-3-5-7-9-11-13-15-17-31-36-40-44-48-52-56-60-66(71)72-61-57-53-49-45-41-37-33-30-28-26-24-22-20-18-19-21-23-25-27-29-32-35-39-43-47-51-55-59-65(70)67-63(62-68)64(69)58-54-50-46-42-38-34-16-14-12-10-8-6-4-2/h11,13,17,31,54,58,63-64,68-69H,3-10,12,14-16,18-30,32-53,55-57,59-62H2,1-2H3,(H,67,70)/b13-11-,31-17-,58-54+/t63-,64+/m0/s1", "name": "N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine", "names": [ "N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine" ] }, { "compound_id": "C13920", "inchi": null, "name": "Ml4Cer", "names": [ "GlcNAc-beta1->2Man-alpha1->3Man-beta1->4Glc-beta1->1'Cer", "Ml4Cer" ] }, { "compound_id": "C13921", "inchi": null, "name": "II2Xylbeta-Ml4Cer", "names": [ "GlcNAc-beta1->2Man-alpha1->3(Xyl-beta1-2)Man-beta1->4Glc-beta1->1'Cer", "II2Xylbeta-Ml4Cer" ] }, { "compound_id": "C13922", "inchi": null, "name": "Ar4Cer", "names": [ "Ar4Cer", "GalNAc-beta1->4GlcNAc-beta1->3Man-beta1->4Glc-beta1->1'Cer" ] }, { "compound_id": "C13923", "inchi": null, "name": "Ar5Cer", "names": [ "Ar5Cer", "GalNAc-alpha1->4GalNAc-beta1->4GlcNAc-beta1->3Man-beta1->4Glc-beta1->1'Cer" ] }, { "compound_id": "C13924", "inchi": null, "name": "Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer", "names": [ "Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer", "iGb3Cer" ] }, { "compound_id": "C13925", "inchi": null, "name": "iGb4Cer", "names": [ "GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer", "iGb4Cer" ] }, { "compound_id": "C13926", "inchi": null, "name": "iGb5Cer", "names": [ "GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer", "iGb5Cer" ] }, { "compound_id": "C13927", "inchi": "InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1", "name": "Argiotoxin 636", "names": [ "Argiopin", "Argiotoxin 636" ] }, { "compound_id": "C13929", "inchi": "InChI=1S/C31H53N11O5/c32-22(8-5-16-40-31(34)35)29(46)38-17-7-14-37-13-6-12-36-11-2-1-3-15-39-30(47)24(19-26(33)44)42-27(45)18-21-20-41-23-9-4-10-25(43)28(21)23/h4,9-10,20,22,24,36-37,41,43H,1-3,5-8,11-19,32H2,(H2,33,44)(H,38,46)(H,39,47)(H,42,45)(H4,34,35,40)/t22-,24-/m0/s1", "name": "Argiotoxin 659", "names": [ "Argiopinin III", "Argiotoxin 659" ] }, { "compound_id": "C13931", "inchi": "InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1", "name": "JSTX-3", "names": [ "JSTX-3", "Joro spider toxin" ] }, { "compound_id": "C13932", "inchi": "InChI=1/6ClH.14H3N.2O.3Ru/h6*1H;14*1H3;;;;;/q;;;;;;;;;;;;;;;;;;;;2*-2;;;+10/p-6/f6Cl.14H3N.2O.3Ru/h6*1h;;;;;;;;;;;;;;;;;;;/q6*-1;;;;;;;;;;;;;;;2m;;;m", "name": "Ruthenium red", "names": [ "Ruthenium red" ] }, { "compound_id": "C13937", "inchi": "InChI=1S/C63H121N2O21P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-51(68)64-46(47(67)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)43-79-61-57(74)55(72)53(70)49(84-61)44-80-62-59(76)56(73)60(86-63-58(75)54(71)52(69)48(42-66)83-63)50(85-62)45-82-87(77,78)81-41-40-65(3,4)5/h36,38,46-50,52-63,66-67,69-76H,6-35,37,39-45H2,1-5H3,(H-,64,68,77,78)/p+1/b38-36+/t46-,47+,48+,49+,50+,52+,53-,54-,55-,56+,57+,58-,59+,60?,61+,62+,63?/m0/s1", "name": "Cholinephosphorylmannosylneogalabiaosylceramide", "names": [ "Cholinephosphorylmannosylneogalabiaosylceramide", "PGL3a" ] }, { "compound_id": "C13938", "inchi": "InChI=1S/C63H121N2O21P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-51(67)64-46(47(66)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)42-79-61-58(74)55(71)52(68)48(84-61)43-80-62-59(75)56(72)53(69)49(85-62)44-81-63-60(76)57(73)54(70)50(86-63)45-83-87(77,78)82-41-40-65(3,4)5/h36,38,46-50,52-63,66,68-76H,6-35,37,39-45H2,1-5H3,(H-,64,67,77,78)/p+1/b38-36+/t46-,47+,48+,49+,50+,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+/m0/s1", "name": "Cholinephosphorylneogalatriaosylceramide", "names": [ "Cholinephosphorylneogalatriaosylceramide", "PGL3b" ] }, { "compound_id": "C13940", "inchi": "InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25?,26?,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1", "name": "Sennoside", "names": [ "Sennoside", "Sennoside A&B" ] }, { "compound_id": "C13945", "inchi": "InChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h2-8H2,1H3,(H,12,13)", "name": "2-Oxodecanoic acid", "names": [ "2-Oxodecanoate", "2-Oxodecanoic acid" ] }, { "compound_id": "C13946", "inchi": "InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h11-12,16H,3-10,13-15H2,1-2H3,(H,18,19)/b12-11-", "name": "2-Methoxy-6Z-hexadecenoic acid", "names": [ "(6Z)-2-Methoxyhexadecenoic acid", "2-Methoxy-6Z-hexadecenoate", "2-Methoxy-6Z-hexadecenoic acid" ] }, { "compound_id": "C13947", "inchi": "InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)", "name": "2-Methoxyhexadecanoic acid", "names": [ "2-Methoxyhexadecanoate", "2-Methoxyhexadecanoic acid" ] }, { "compound_id": "C13948", "inchi": "InChI=1S/C16H31FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)", "name": "16-Fluorohexadecanoic acid", "names": [ "16-Fluorohexadecanoic acid", "16-Fluoropalmitic acid" ] }, { "compound_id": "C13949", "inchi": "InChI=1S/C16H31ClO3/c1-2-3-4-9-12-15(18)14(17)11-8-6-5-7-10-13-16(19)20/h14-15,18H,2-13H2,1H3,(H,19,20)", "name": "9-Chloro-10-hydroxyhexadecanoic acid", "names": [ "9-Chloro-10-hydroxyhexadecanoic acid", "9-Chloro-10-hydroxypalmitate", "9-Chloro-10-hydroxypalmitic acid" ] }, { "compound_id": "C13952", "inchi": "InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11-,12-,13+,14-,16-/m1/s1", "name": "UDP-N-acetyl-D-galactosaminuronic acid", "names": [ "UDP-N-acetyl-D-galactosaminuronic acid" ] }, { "compound_id": "C13958", "inchi": "InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,20,21)/b12-9-,17-14+", "name": "12-Nitrolinoleic acid", "names": [ "(9Z,12E)-12-Nitrooctadeca-9,12-dienoic acid", "12-Nitro-9-cis,12-cis-octadecadienoic acid", "12-Nitrolinoleic acid" ] }, { "compound_id": "C13962", "inchi": "InChI=1S/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/q;+1/p-1/t10-,13-;/m1./s1", "name": "Chloramphenicol sodium succinate", "names": [ "Chloramphenicol sodium succinate" ] }, { "compound_id": "C13963", "inchi": "InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1", "name": "Mevastatin", "names": [ "Compactin", "ML-236B", "Mevastatin" ] }, { "compound_id": "C13964", "inchi": "InChI=1S/C3H7O4P.Ca/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/t2-,3+;/m0./s1", "name": "Fosfomycin calcium", "names": [ "Calcium phosphomycin", "Fosfomycin calcium" ] }, { "compound_id": "C13967", "inchi": "InChI=1S/C17H18N2O6S.2Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);;/q;2*+1/p-2/t9?,10-,11+,14-;;/m1../s1", "name": "Carbenicillin sodium", "names": [ "Carbenicillin disodium", "Carbenicillin sodium" ] }, { "compound_id": "C13968", "inchi": "InChI=1S/C18H18N6O5S2.Na/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9;/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29);/q;+1/p-1/t11-,13-,16-;/m1./s1", "name": "Cefamandole sodium", "names": [ "Cefamandole sodium" ] }, { "compound_id": "C13973", "inchi": "InChI=1S/C17H20N2O6S.Na.H2O/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);;1H2/q;+1;/p-1/t11-,12+,15-;;/m1../s1", "name": "Methicillin sodium", "names": [ "Methicillin sodium", "Meticillin sodium", "Sodium methicillin monohydrate" ] }, { "compound_id": "C13974", "inchi": "InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1", "name": "Vincristine sulfate", "names": [ "Vincristine sulfate" ] }, { "compound_id": "C13976", "inchi": "InChI=1S/C23H22N2O6S.Na/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14;/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29);/q;+1/p-1/t15?,16-,17+,20-;/m1./s1", "name": "Carfecillin sodium", "names": [ "Carbenicillin phenyl sodium", "Carfecillin sodium" ] }, { "compound_id": "C13978", "inchi": "InChI=1S/C24H23N3O6S.ClH/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12;/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28);1H/t15-,16-,17+,20-,23?;/m1./s1", "name": "Talampicillin hydrochloride", "names": [ "Talampicillin hydrochloride" ] }, { "compound_id": "C13980", "inchi": "InChI=1S/C19H23N3O4S.K/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1", "name": "Hetacillin potassium", "names": [ "Hetacillin potassium" ] }, { "compound_id": "C13993", "inchi": "InChI=1S/C17H18FN3O3.ClH.H2O/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;;/h7-10,19H,1-6H2,(H,23,24);1H;1H2", "name": "Ciprofloxacin hydrochloride", "names": [ "Ciprofloxacin hydrochloride", "Ciprofloxacin hydrochloride monohydrate" ] }, { "compound_id": "C14001", "inchi": "InChI=1S/C8H11NO5S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1", "name": "Sulbactam sodium", "names": [ "Sulbactam sodium" ] }, { "compound_id": "C14002", "inchi": "InChI=1S/C18H34N2O6S.ClH.H2O/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H;1H2/t9-,10-,11+,12-,13+,14-,15-,16-,18-;;/m1../s1", "name": "Lincomycin hydrochloride", "names": [ "Lincomycin hydrochloride", "Lincomycin hydrochloride monohydrate" ] }, { "compound_id": "C14007", "inchi": "InChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b12-6-;;/t13?,15-,17+;;/m1../s1", "name": "Cefotetan disodium", "names": [ "Cefotetan disodium", "Cefotetan sodium" ] }, { "compound_id": "C14010", "inchi": "InChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1", "name": "Sodium cloxacillin monohydrate", "names": [ "Cloxacillin sodium", "Sodium cloxacillin monohydrate" ] }, { "compound_id": "C14015", "inchi": "InChI=1S/C17H21NO.C7H6O3/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;8-6-4-2-1-3-5(6)7(9)10/h3-12,17H,13-14H2,1-2H3;1-4,8H,(H,9,10)", "name": "Diphenhydramine salicylate", "names": [ "Diphenhydramine salicylate" ] }, { "compound_id": "C14021", "inchi": "InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7-,8-,9+,12-;;/m1../s1", "name": "Ticarcillin disodium", "names": [ "Aerugipen", "Ticarcillin disodium" ] }, { "compound_id": "C14029", "inchi": "InChI=1S/C20H26N2.C4H4O4/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;5-3(6)1-2-4(7)8/h4-11,16H,12-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-", "name": "Trimipramine maleate", "names": [ "Trimipramine maleate" ] }, { "compound_id": "C14034", "inchi": "InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1", "name": "Piperacillin", "names": [ "Piperacillin", "Piperacillin anhydrous" ] }, { "compound_id": "C14039", "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2", "name": "1,1-Dichloroethylene", "names": [ "1,1-DCE", "1,1-Dichloroethylene", "Vinylidene chloride" ] }, { "compound_id": "C14040", "inchi": "InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H", "name": "1-Nitronaphthalene", "names": [ "1-Nitronaphthalene" ] }, { "compound_id": "C14042", "inchi": "InChI=1S/HI.Na/h1H;/q;+1/p-1", "name": "Sodium iodide", "names": [ "Sodium iodide" ] }, { "compound_id": "C14043", "inchi": "InChI=1S/C18H26O3/c1-12-6-7-13-4-2-3-5-17(13)16(12)9-8-15-10-14(19)11-18(20)21-15/h4,6-7,12,14-17,19H,2-3,5,8-11H2,1H3/t12-,14+,15+,16-,17-/m0/s1", "name": "ML-236C", "names": [ "ML-236C" ] }, { "compound_id": "C14044", "inchi": "InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23-24(4,5)16-22(27)17-25(23,6)28/h7-14,18,22,27-28H,16-17H2,1-6H3/b8-7+,12-9+,19-10+,20-13+,21-11+/t15?,22-,25+/m0/s1", "name": "C25-Allenic-apo-aldehyde", "names": [ "(3S,5R,6R)-3,5-Dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al", "C25-Allenic-apo-aldehyde" ] }, { "compound_id": "C14045", "inchi": "InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1", "name": "C25-Epoxy-apo-aldehyde", "names": [ "(3S,5R,6S)-5,6-Epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al", "C25-Epoxy-apo-aldehyde" ] }, { "compound_id": "C14049", "inchi": "InChI=1S/C42H62O16.2K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/q;2*+1/p-2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1", "name": "Glycyrrhizinate dipotassium", "names": [ "Dipotassium (3beta,20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate", "Dipotassium glycyrrhizate", "Glycyrrhizinate dipotassium" ] }, { "compound_id": "C14053", "inchi": "InChI=1S/C31H41N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)/t19-,21-,23-,24+,26+,30?,31+;/m1./s1", "name": "9,10-Dihydroergocornine methanesulfonate", "names": [ "9,10-Dihydroergocornine methanesulfonate" ] }, { "compound_id": "C14054", "inchi": "InChI=1S/C32H43N5O5.CH4O3S/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t18-,20+,22+,24+,25-,27-,31?,32-;/m0./s1", "name": "Dihydro-beta-ergocryptine mesylate", "names": [ "Dihydro-beta-ergocryptine mesylate" ] }, { "compound_id": "C14055", "inchi": null, "name": "Dihydroergotoxine mesylate", "names": [ "Dihydroergotoxine mesilate", "Dihydroergotoxine mesylate", "Ergoloid mesylates" ] }, { "compound_id": "C14056", "inchi": "InChI=1S/C40H67NO14/c1-22(2)18-30(45)53-38-26(6)51-32(21-40(38,7)48)54-35-25(5)52-39(34(47)33(35)41(8)9)55-36-27(16-17-42)19-23(3)28(43)15-13-11-12-14-24(4)50-31(46)20-29(44)37(36)49-10/h11-13,15,17,22-29,32-39,43-44,47-48H,14,16,18-21H2,1-10H3/b12-11+,15-13+/t23-,24-,25-,26+,27+,28+,29-,32?,33-,34-,35-,36?,37+,38+,39?,40-/m1/s1", "name": "Leucomycin A1", "names": [ "Leucomycin A1" ] }, { "compound_id": "C14057", "inchi": "InChI=1S/C41H67NO15/c1-11-15-31(46)55-39-26(5)52-33(22-41(39,7)49)56-36-25(4)53-40(35(48)34(36)42(8)9)57-37-28(18-19-43)20-23(2)29(45)17-14-12-13-16-24(3)51-32(47)21-30(38(37)50-10)54-27(6)44/h12-14,17,19,23-26,28-30,33-40,45,48-49H,11,15-16,18,20-22H2,1-10H3/b13-12+,17-14+/t23-,24-,25-,26+,28+,29+,30-,33?,34-,35-,36-,37?,38+,39+,40?,41-/m1/s1", "name": "Leucomycin A4", "names": [ "Leucomycin A4" ] }, { "compound_id": "C14058", "inchi": "InChI=1S/C39H65NO14/c1-10-14-29(44)52-37-25(5)50-31(21-39(37,6)47)53-34-24(4)51-38(33(46)32(34)40(7)8)54-35-26(17-18-41)19-22(2)27(42)16-13-11-12-15-23(3)49-30(45)20-28(43)36(35)48-9/h11-13,16,18,22-28,31-38,42-43,46-47H,10,14-15,17,19-21H2,1-9H3/b12-11+,16-13+/t22-,23-,24-,25+,26+,27+,28-,31?,32-,33-,34-,35?,36+,37+,38?,39-/m1/s1", "name": "Leucomycin A5", "names": [ "Leucomycin A5" ] }, { "compound_id": "C14059", "inchi": "InChI=1S/C40H65NO15/c1-11-30(45)54-38-25(5)51-32(21-40(38,7)48)55-35-24(4)52-39(34(47)33(35)41(8)9)56-36-27(17-18-42)19-22(2)28(44)16-14-12-13-15-23(3)50-31(46)20-29(37(36)49-10)53-26(6)43/h12-14,16,18,22-25,27-29,32-39,44,47-48H,11,15,17,19-21H2,1-10H3/b13-12+,16-14+/t22-,23-,24-,25+,27+,28+,29-,32?,33-,34-,35-,36?,37+,38+,39?,40-/m1/s1", "name": "Leucomycin A6", "names": [ "Leucomycin A6" ] }, { "compound_id": "C14060", "inchi": "InChI=1S/C38H63NO14/c1-10-28(43)51-36-24(5)49-30(20-38(36,6)46)52-33-23(4)50-37(32(45)31(33)39(7)8)53-34-25(16-17-40)18-21(2)26(41)15-13-11-12-14-22(3)48-29(44)19-27(42)35(34)47-9/h11-13,15,17,21-27,30-37,41-42,45-46H,10,14,16,18-20H2,1-9H3/b12-11+,15-13+/t21-,22-,23-,24+,25+,26+,27-,30?,31-,32-,33-,34?,35+,36+,37?,38-/m1/s1", "name": "Leucomycin A7", "names": [ "Leucomycin A7" ] }, { "compound_id": "C14061", "inchi": "InChI=1S/C39H63NO15/c1-21-18-27(16-17-41)35(36(48-10)29(52-25(5)42)19-30(45)49-22(2)14-12-11-13-15-28(21)44)55-38-33(46)32(40(8)9)34(23(3)51-38)54-31-20-39(7,47)37(24(4)50-31)53-26(6)43/h11-13,15,17,21-24,27-29,31-38,44,46-47H,14,16,18-20H2,1-10H3/b12-11+,15-13+/t21-,22-,23-,24+,27+,28+,29-,31?,32-,33-,34-,35?,36+,37+,38?,39-/m1/s1", "name": "Leucomycin A8", "names": [ "Leucomycin A8" ] }, { "compound_id": "C14062", "inchi": "InChI=1S/C37H61NO14/c1-20-17-25(15-16-39)33(34(46-9)27(42)18-28(43)47-21(2)13-11-10-12-14-26(20)41)52-36-31(44)30(38(7)8)32(22(3)49-36)51-29-19-37(6,45)35(23(4)48-29)50-24(5)40/h10-12,14,16,20-23,25-27,29-36,41-42,44-45H,13,15,17-19H2,1-9H3/b11-10+,14-12+/t20-,21-,22-,23+,25+,26+,27-,29?,30-,31-,32-,33?,34+,35+,36?,37-/m1/s1", "name": "Leucomycin A9", "names": [ "Leucomycin A9" ] }, { "compound_id": "C14063", "inchi": "InChI=1S/C41H69NO14/c1-10-11-13-18-31(46)54-39-27(5)52-33(23-41(39,6)49)55-36-26(4)53-40(35(48)34(36)42(7)8)56-37-28(19-20-43)21-24(2)29(44)17-15-12-14-16-25(3)51-32(47)22-30(45)38(37)50-9/h12,14-15,17,20,24-30,33-40,44-45,48-49H,10-11,13,16,18-19,21-23H2,1-9H3/b14-12+,17-15+/t24-,25-,26-,27+,28+,29+,30-,33?,34-,35-,36-,37?,38+,39+,40?,41-/m1/s1", "name": "Leucomycin A13", "names": [ "Leucomycin A13" ] }, { "compound_id": "C14064", "inchi": null, "name": "Kitasamycin", "names": [ "Kitasamycin" ] }, { "compound_id": "C14077", "inchi": "InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)", "name": "Phthalocyanine", "names": [ "29H,31H-Phthalocyanine", "Phthalocyanine", "Pigment blue 16" ] }, { "compound_id": "C14078", "inchi": "InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2", "name": "Congo red", "names": [ "Congo red", "Direct red 28", "Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate" ] }, { "compound_id": "C14079", "inchi": "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1", "name": "(-)-Catechin", "names": [ "(-)-Catechin" ] }, { "compound_id": "C14081", "inchi": "InChI=1S/C10H10N2OS.ClH/c1-7-2-3-8(9(13)6-7)12-10-11-4-5-14-10;/h2-6,13H,1H3,(H,11,12);1H", "name": "CBS 113A", "names": [ "CBS 113A" ] }, { "compound_id": "C14082", "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3", "name": "1-Methylnaphthalene", "names": [ "1-Methylnaphthalene", "alpha-Methylnaphthalene" ] }, { "compound_id": "C14083", "inchi": "InChI=1S/C11H12O2/c1-7-3-2-4-8-5-6-9(12)11(13)10(7)8/h2-6,9,11-13H,1H3/t9-,11-/m0/s1", "name": "cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene", "names": [ "cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene" ] }, { "compound_id": "C14084", "inchi": "InChI=1S/C11H10O2/c1-7-3-2-4-8-5-6-9(12)11(13)10(7)8/h2-6,12-13H,1H3", "name": "1,2-Dihydroxy-8-methylnaphthalene", "names": [ "1,2-Dihydroxy-8-methylnaphthalene" ] }, { "compound_id": "C14085", "inchi": "InChI=1/C11H10O4/c1-7-3-2-4-8-5-6-11(14,10(12)13)15-9(7)8/h2-6,14H,1H3,(H,12,13)/f/h12H", "name": "2-Hydroxy-8-methylchromene-2-carboxylate", "names": [ "2-Hydroxy-8-methylchromene-2-carboxylate" ] }, { "compound_id": "C14086", "inchi": "InChI=1S/C11H10O4/c1-7-3-2-4-8(10(7)13)5-6-9(12)11(14)15/h2-6,13H,1H3,(H,14,15)/b6-5+", "name": "2-Hydroxy-3-methylbenzalpyruvate", "names": [ "2-Hydroxy-3-methylbenzalpyruvate" ] }, { "compound_id": "C14087", "inchi": "InChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3", "name": "3-Methylsalicylaldehyde", "names": [ "2-Hydroxy-3-methylbenzaldehyde", "3-Methylsalicylaldehyde" ] }, { "compound_id": "C14088", "inchi": "InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)", "name": "3-Methylsalicylate", "names": [ "3-Methylsalicylate" ] }, { "compound_id": "C14089", "inchi": "InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2", "name": "1-Hydroxymethylnaphthalene", "names": [ "1-Hydroxymethylnaphthalene", "1-Naphthalenemethanol" ] }, { "compound_id": "C14090", "inchi": "InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H", "name": "1-Naphthaldehyde", "names": [ "1-Formylnaphthalene", "1-Naphthaldehyde" ] }, { "compound_id": "C14091", "inchi": "InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)", "name": "1-Naphthoic acid", "names": [ "1-Carboxynaphthalene", "1-Naphthoic acid", "alpha-Naphthoic acid" ] }, { "compound_id": "C14092", "inchi": "InChI=1S/C11H10O4/c12-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)13/h1-5,8,10,12-13H,(H,14,15)/t8-,10-/m0/s1", "name": "cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene", "names": [ "cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene" ] }, { "compound_id": "C14093", "inchi": "InChI=1S/C11H8O4/c12-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)13/h1-5,12-13H,(H,14,15)", "name": "1,2-Dihydroxy-8-carboxynaphthalene", "names": [ "1,2-Dihydroxy-8-carboxynaphthalene", "7,8-Dihydroxy-1-naphthalenecarboxylic acid" ] }, { "compound_id": "C14094", "inchi": "InChI=1S/C11H8O6/c12-9(13)7-3-1-2-6-4-5-11(16,10(14)15)17-8(6)7/h1-5,16H,(H,12,13)(H,14,15)", "name": "2-Carboxy-2-hydroxy-8-carboxychromene", "names": [ "2-Carboxy-2-hydroxy-8-carboxychromene" ] }, { "compound_id": "C14095", "inchi": "InChI=1S/C11H8O6/c12-8(11(16)17)5-4-6-2-1-3-7(9(6)13)10(14)15/h1-5,13H,(H,14,15)(H,16,17)/b5-4+", "name": "2-Hydroxy-3-carboxybenzalpyruvate", "names": [ "2-Hydroxy-3-carboxybenzalpyruvate", "3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid" ] }, { "compound_id": "C14096", "inchi": "InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)", "name": "3-Formylsalicylic acid", "names": [ "2-Hydroxyisophthalaldehydic acid", "3-Formylsalicylic acid" ] }, { "compound_id": "C14097", "inchi": "InChI=1S/C8H6O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)", "name": "2-Hydroxyisophthalic acid", "names": [ "1,3-Benzenedicarboxylic acid, 2-hydroxy-", "2-Hydroxy-1,3-benzenedicarboxylic acid", "2-Hydroxyisophthalic acid" ] }, { "compound_id": "C14098", "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3", "name": "2-Methylnaphthalene", "names": [ "2-Methylnaphthalene", "beta-Methylnaphthalene" ] }, { "compound_id": "C14099", "inchi": "InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H", "name": "2-Naphthaldehyde", "names": [ "2-Naphthaldehyde", "2-Naphthalenecarboxaldehyde" ] }, { "compound_id": "C14100", "inchi": "InChI=1S/C8H6O4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H,(H,11,12)", "name": "4-Formylsalicylic acid", "names": [ "4-Formyl-2-hydroxybenzoic acid", "4-Formylsalicylic acid" ] }, { "compound_id": "C14101", "inchi": "InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)", "name": "2-Naphthoic acid", "names": [ "2-Naphthalenecarboxylic acid", "2-Naphthoic acid", "beta-Naphthoic acid" ] }, { "compound_id": "C14102", "inchi": "InChI=1S/C11H12O2/c1-7-2-3-8-4-5-10(12)11(13)9(8)6-7/h2-6,10-13H,1H3/t10-,11+/m0/s1", "name": "cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene", "names": [ "cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene" ] }, { "compound_id": "C14103", "inchi": "InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)", "name": "4-Methylsalicylate", "names": [ "2-Hydroxy-4-methylbenzoic acid", "4-Methylsalicylate", "m-Cresotic acid" ] }, { "compound_id": "C14104", "inchi": "InChI=1S/C11H12O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,10-14H,6H2/t10-,11+/m0/s1", "name": "cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene", "names": [ "cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene" ] }, { "compound_id": "C14105", "inchi": "InChI=1S/C11H10O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,12-14H,6H2", "name": "1,2-Dihydroxy-7-hydroxymethylnaphthalene", "names": [ "1,2-Dihydroxy-7-hydroxymethylnaphthalene" ] }, { "compound_id": "C14106", "inchi": "InChI=1S/C11H10O5/c12-6-7-1-2-8-3-4-11(15,10(13)14)16-9(8)5-7/h1-5,12,15H,6H2,(H,13,14)", "name": "2-Hydroxy-7-hydroxymethylchromene-2-carboxylate", "names": [ "2-Hydroxy-7-hydroxymethylchromene-2-carboxylate" ] }, { "compound_id": "C14107", "inchi": "InChI=1S/C11H10O5/c12-6-7-1-2-8(10(14)5-7)3-4-9(13)11(15)16/h1-5,12,14H,6H2,(H,15,16)/b4-3+", "name": "2-Hydroxy-4-hydroxymethylbenzalpyruvate", "names": [ "2-Hydroxy-4-hydroxymethylbenzalpyruvate" ] }, { "compound_id": "C14108", "inchi": "InChI=1S/C8H8O3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3,5,9,11H,4H2", "name": "4-Hydroxymethylsalicylaldehyde", "names": [ "2-Hydroxy-4-hydroxymethyl-benzaldehyde", "4-Hydroxymethylsalicylaldehyde" ] }, { "compound_id": "C14109", "inchi": "InChI=1S/C8H8O4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2,(H,11,12)", "name": "4-Hydroxymethylsalicylate", "names": [ "2-Hydroxy-4-hydroxymethylbenzoic acid", "4-Hydroxymethylsalicylate" ] }, { "compound_id": "C14110", "inchi": "InChI=1S/C7H8O3/c8-4-5-1-2-6(9)7(10)3-5/h1-3,8-10H,4H2", "name": "4-Hydroxymethylcatechol", "names": [ "4-Hydroxymethylcatechol" ] }, { "compound_id": "C14111", "inchi": "InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)", "name": "5,6,7,8-Tetrahydro-2-naphthoic acid", "names": [ "5,6,7,8-Tetrahydro-2-naphthoic acid" ] }, { "compound_id": "C14112", "inchi": "InChI=1S/C9H14O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h6-7H,1-5H2,(H,10,11)(H,12,13)/t6-,7-/m0/s1", "name": "cis-2-Carboxycyclohexyl-acetic acid", "names": [ "cis-2-Carboxycyclohexyl-acetic acid" ] }, { "compound_id": "C14113", "inchi": "InChI=1S/C11H18O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2,(H,12,13)", "name": "Decahydro-2-naphthoic acid", "names": [ "Decahydro-2-naphthalenecarboxylic acid", "Decahydro-2-naphthoic acid" ] }, { "compound_id": "C14114", "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2", "name": "Tetralin", "names": [ "1,2,3,4-Tetrahydronaphthalene", "Tetralin" ] }, { "compound_id": "C14115", "inchi": "InChI=1S/C15H14O4/c16-14(17)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9H2,(H,16,17)(H,18,19)", "name": "2-Naphtylmethylsuccinic acid", "names": [ "2-Naphtylmethylsuccinic acid", "Naphthyl-2-methyl-succinic acid" ] }, { "compound_id": "C14116", "inchi": "InChI=1S/C36H48N7O19P3S/c1-36(2,30(48)33(49)39-10-9-25(44)38-11-12-66-35(50)23(15-26(45)46)14-20-7-8-21-5-3-4-6-22(21)13-20)17-59-65(56,57)62-64(54,55)58-16-24-29(61-63(51,52)53)28(47)34(60-24)43-19-42-27-31(37)40-18-41-32(27)43/h3-8,13,18-19,23-24,28-30,34,47-48H,9-12,14-17H2,1-2H3,(H,38,44)(H,39,49)(H,45,46)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/t23?,24-,28-,29-,30?,34-/m1/s1", "name": "Naphthyl-2-methyl-succinyl-CoA", "names": [ "Naphthyl-2-methyl-succinyl-CoA" ] }, { "compound_id": "C14117", "inchi": "InChI=1S/C36H46N7O19P3S/c1-36(2,30(48)33(49)39-10-9-25(44)38-11-12-66-35(50)23(15-26(45)46)14-20-7-8-21-5-3-4-6-22(21)13-20)17-59-65(56,57)62-64(54,55)58-16-24-29(61-63(51,52)53)28(47)34(60-24)43-19-42-27-31(37)40-18-41-32(27)43/h3-8,13-14,18-19,24,28-30,34,47-48H,9-12,15-17H2,1-2H3,(H,38,44)(H,39,49)(H,45,46)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/b23-14+/t24-,28-,29-,30?,34-/m1/s1", "name": "Naphthyl-2-methylene-succinyl-CoA", "names": [ "Naphthyl-2-methylene-succinyl-CoA" ] }, { "compound_id": "C14118", "inchi": "InChI=1S/C36H48N7O20P3S/c1-36(2,30(49)33(50)39-10-9-24(44)38-11-12-67-35(51)22(14-25(45)46)27(47)21-8-7-19-5-3-4-6-20(19)13-21)16-60-66(57,58)63-65(55,56)59-15-23-29(62-64(52,53)54)28(48)34(61-23)43-18-42-26-31(37)40-17-41-32(26)43/h3-8,13,17-18,22-23,27-30,34,47-49H,9-12,14-16H2,1-2H3,(H,38,44)(H,39,50)(H,45,46)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t22?,23-,27?,28-,29-,30?,34-/m1/s1", "name": "Naphthyl-2-hydroxymethyl-succinyl CoA", "names": [ "Naphthyl-2-hydroxymethyl-succinyl CoA" ] }, { "compound_id": "C14119", "inchi": "InChI=1S/C36H46N7O20P3S/c1-36(2,30(49)33(50)39-10-9-24(44)38-11-12-67-35(51)22(14-25(45)46)27(47)21-8-7-19-5-3-4-6-20(19)13-21)16-60-66(57,58)63-65(55,56)59-15-23-29(62-64(52,53)54)28(48)34(61-23)43-18-42-26-31(37)40-17-41-32(26)43/h3-8,13,17-18,22-23,28-30,34,48-49H,9-12,14-16H2,1-2H3,(H,38,44)(H,39,50)(H,45,46)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t22?,23-,28-,29-,30?,34-/m1/s1", "name": "Naphthyl-2-oxomethyl-succinyl-CoA", "names": [ "Naphthyl-2-oxomethyl-succinyl-CoA" ] }, { "compound_id": "C14120", "inchi": "InChI=1S/C32H42N7O17P3S/c1-32(2,26(42)29(43)35-10-9-22(40)34-11-12-60-31(44)20-8-7-18-5-3-4-6-19(18)13-20)15-53-59(50,51)56-58(48,49)52-14-21-25(55-57(45,46)47)24(41)30(54-21)39-17-38-23-27(33)36-16-37-28(23)39/h3-8,13,16-17,21,24-26,30,41-42H,9-12,14-15H2,1-2H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,24-,25-,26?,30-/m1/s1", "name": "2-Naphthoyl-CoA", "names": [ "2-Naphthoyl-CoA" ] }, { "compound_id": "C14122", "inchi": "InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1", "name": "R207910", "names": [ "1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol", "R207910" ] }, { "compound_id": "C14123", "inchi": "InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)", "name": "BMS-268770", "names": [ "BMS-268770" ] }, { "compound_id": "C14125", "inchi": "InChI=1S/C26H37N5O5S2/c1-17(2)22-23(37-26(29-22)31-14-10-19(11-15-31)18-8-12-27-13-9-18)24(32)28-16-21(25(33)34)30-38(35,36)20-6-4-3-5-7-20/h3-7,17-19,21,27,30H,8-16H2,1-2H3,(H,28,32)(H,33,34)/t21-/m0/s1", "name": "UR-12947", "names": [ "UR-12947" ] }, { "compound_id": "C14126", "inchi": "InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)", "name": "Ro 61-8048", "names": [ "Ro 61-8048" ] }, { "compound_id": "C14127", "inchi": "InChI=1S/C21H30N4O5S/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27)", "name": "Acotiamide", "names": [ "Acotiamide", "MZ-338" ] }, { "compound_id": "C14128", "inchi": "InChI=1S/C14H9Cl2N3S/c15-10-2-1-9(7-11(10)16)12-13(20-14(17)19-12)8-3-5-18-6-4-8/h1-7H,(H2,17,19)", "name": "CGH 2466", "names": [ "CGH 2466" ] }, { "compound_id": "C14129", "inchi": "InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1", "name": "SSR 125543", "names": [ "SSR 125543" ] }, { "compound_id": "C14130", "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3", "name": "2-tert-Butylphenol", "names": [ "2-tert-Butylphenol" ] }, { "compound_id": "C14131", "inchi": "InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1", "name": "Equol", "names": [ "Equol" ] }, { "compound_id": "C14132", "inchi": "InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3", "name": "4-Octylphenol", "names": [ "4-Octylphenol", "4-n-Octylphenol", "p-Octylphenol" ] }, { "compound_id": "C14133", "inchi": "InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H", "name": "2,2-(2-Chlorophenyl-4'-chlorophenyl)-1,1-dichloroethene", "names": [ "1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene", "2,2-(2-Chlorophenyl-4'-chlorophenyl)-1,1-dichloroethene", "2,4'-DDE", "o,p'-DDE" ] }, { "compound_id": "C14134", "inchi": "InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H", "name": "Triphenylethylene", "names": [ "Triphenylethylene" ] }, { "compound_id": "C14135", "inchi": "InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3", "name": "4,4'-Methylenebis(N,N-dimethylaniline)", "names": [ "4,4'-Methylenebis(N,N-dimethylaniline)", "Michler's base" ] }, { "compound_id": "C14136", "inchi": "InChI=1S/C14H11Cl3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H", "name": "1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane", "names": [ "1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane", "HPTE", "p,p'-Hydroxy-DDT" ] }, { "compound_id": "C14137", "inchi": "InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H", "name": "6-Hydroxyflavone", "names": [ "6-Hydroxy-2-phenyl-4-benzopyrone", "6-Hydroxyflavone" ] }, { "compound_id": "C14138", "inchi": "InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3", "name": "2-sec-Butylphenol", "names": [ "2-(1-Methylpropyl)phenol", "2-sec-Butylphenol" ] }, { "compound_id": "C14139", "inchi": "InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3", "name": "4-sec-Butylphenol", "names": [ "1-Hydroxy-4-sec-butylbenzene", "4-(1-Methylpropyl)phenol", "4-sec-Butylphenol" ] }, { "compound_id": "C14142", "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3", "name": "sec-Butylbenzene", "names": [ "(1-Methylpropyl)benzene", "2-Phenylbutane", "sec-Butylbenzene" ] }, { "compound_id": "C14143", "inchi": "InChI=1S/C27H44N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h13-15,20-22,26,39-40H,3-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15-,20-,21-,22?,26-/m1/s1", "name": "Adipyl-CoA", "names": [ "5-Carboxypentanoyl-CoA", "Adipyl-CoA" ] }, { "compound_id": "C14144", "inchi": "InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h4,6,13-15,20-22,26,39-40H,3,5,7-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b6-4+/t15-,20-,21-,22?,26-/m1/s1", "name": "5-Carboxy-2-pentenoyl-CoA", "names": [ "5-Carboxy-2-pentenoyl-CoA" ] }, { "compound_id": "C14145", "inchi": "InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,15+,20+,21+,22?,26+/m0/s1", "name": "(3S)-3-Hydroxyadipyl-CoA", "names": [ "(3S)-3-Hydroxyadipyl-CoA" ] }, { "compound_id": "C14146", "inchi": "InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+", "name": "alpha-Zeacarotene", "names": [ "alpha-Zeacarotene" ] }, { "compound_id": "C14147", "inchi": "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)", "name": "Cyromazine", "names": [ "2-Cyclopropylamino-4,6-diamino-s-triazine", "Cyclopropylmelamine", "Cyromazine" ] }, { "compound_id": "C14148", "inchi": "InChI=1S/C6H9N5O/c7-4-9-5(8-3-1-2-3)11-6(12)10-4/h3H,1-2H2,(H4,7,8,9,10,11,12)", "name": "N-Cyclopropylammeline", "names": [ "2-Hydroxy-4-amino-6-(cyclopropylamino)-1,3,5-triazine", "N-Cyclopropylammeline" ] }, { "compound_id": "C14149", "inchi": "InChI=1S/C6H8N4O2/c11-5-8-4(7-3-1-2-3)9-6(12)10-5/h3H,1-2H2,(H3,7,8,9,10,11,12)", "name": "N-Cyclopropylammelide", "names": [ "2,4-Dihydroxy-6-(cyclopropylamino)-1,3,5-triazine", "N-Cyclopropylammelide" ] }, { "compound_id": "C14150", "inchi": "InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2", "name": "Cyclopropylamine", "names": [ "Cyclopropylamine" ] }, { "compound_id": "C14151", "inchi": "InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1", "name": "delta-Tocopherol", "names": [ "delta-Tocopherol" ] }, { "compound_id": "C14152", "inchi": "InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21?,22?,28-/m1/s1", "name": "beta-Tocopherol", "names": [ "beta-Tocopherol" ] }, { "compound_id": "C14153", "inchi": "InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1", "name": "alpha-Tocotrienol", "names": [ "alpha-Tocotrienol" ] }, { "compound_id": "C14154", "inchi": "InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1", "name": "beta-Tocotrienol", "names": [ "beta-Tocotrienol" ] }, { "compound_id": "C14155", "inchi": "InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1", "name": "gamma-Tocotrienol", "names": [ "gamma-Tocotrienol" ] }, { "compound_id": "C14156", "inchi": "InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1", "name": "delta-Tocotrienol", "names": [ "delta-Tocotrienol" ] }, { "compound_id": "C14157", "inchi": "InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-27(22,6)14-12-24-26(5)13-11-21(29)15-20(26)16-25(30)28(23,24)31/h7-8,16-19,21-25,29-31H,9-15H2,1-6H3/b8-7+/t18?,19-,21+,22-,23-,24-,25+,26+,27-,28-/m1/s1", "name": "Stylisterol A", "names": [ "Stylisterol A" ] }, { "compound_id": "C14158", "inchi": "InChI=1S/C28H46O4/c1-17(2)18(3)6-7-19(4)22-8-9-23-26(22,5)12-11-24-27(16-29)13-10-21(30)14-20(27)15-25(31)28(23,24)32/h6-7,15,17-19,21-25,29-32H,8-14,16H2,1-5H3/b7-6+/t18?,19-,21+,22-,23-,24-,25+,26-,27-,28-/m1/s1", "name": "Stylisterol B", "names": [ "Stylisterol B" ] }, { "compound_id": "C14159", "inchi": "InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-24-22(12-14-27(20,21)5)28(6)13-11-19(29)15-23(28)25(30)26(24)31/h7-8,15-22,24-26,29-31H,9-14H2,1-6H3/b8-7+/t17?,18-,19+,20-,21+,22+,24+,25+,26+,27-,28-/m1/s1", "name": "Stylisterol C", "names": [ "Stylisterol C" ] }, { "compound_id": "C14160", "inchi": "InChI=1S/C28H46O3/c1-16(2)17(3)6-7-18(4)20-8-9-21-23-22(11-12-26(20,21)5)27-13-10-19(29)14-28(27,15-27)25(31)24(23)30/h6-7,16-25,29-31H,8-15H2,1-5H3/b7-6+/t17?,18-,19+,20-,21+,22+,23+,24+,25-,26-,27+,28-/m1/s1", "name": "Hatomasterol", "names": [ "Hatomasterol" ] }, { "compound_id": "C14161", "inchi": "InChI=1S/C20H26O5/c1-10-7-20-8-11(10)3-4-12(20)19-6-5-13(21)18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1", "name": "Gibberellin A37", "names": [ "Gibberellin A37" ] }, { "compound_id": "C14162", "inchi": "InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1", "name": "Gibberellin A15", "names": [ "Gibberellin A15" ] }, { "compound_id": "C14163", "inchi": "InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H", "name": "Phenyl salicylate", "names": [ "Phenyl salicylate" ] }, { "compound_id": "C14164", "inchi": "InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)", "name": "Acetrizoic acid", "names": [ "Acetrizoic acid" ] }, { "compound_id": "C14165", "inchi": "InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)", "name": "Metrizoic acid", "names": [ "Metrizoic acid" ] }, { "compound_id": "C14166", "inchi": "InChI=1S/C19H27NO4/c1-17(2)12-19(16(22)23-6,13-18(3,4)20(17)5)24-15(21)14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3", "name": "alpha-Eucaine", "names": [ "alpha-Eucaine" ] }, { "compound_id": "C14167", "inchi": "InChI=1S/C15H21NO2/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3", "name": "beta-Eucaine", "names": [ "beta-Eucaine" ] }, { "compound_id": "C14168", "inchi": "InChI=1S/C12H17NO2/c1-13(2)9-6-10-15-12(14)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3", "name": "3-(Dimethylamino)propyl benzoate", "names": [ "3-(Dimethylamino)propyl benzoate" ] }, { "compound_id": "C14169", "inchi": "InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3", "name": "Stovaine", "names": [ "Stovaine" ] }, { "compound_id": "C14170", "inchi": "InChI=1S/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3", "name": "p-Aminosalicylic acid methyl ester", "names": [ "p-Aminosalicylic acid methyl ester" ] }, { "compound_id": "C14171", "inchi": "InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3", "name": "Orthoform", "names": [ "Orthocaine", "Orthoform" ] }, { "compound_id": "C14172", "inchi": "InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3", "name": "Hexylcaine", "names": [ "Hexylcaine" ] }, { "compound_id": "C14173", "inchi": "InChI=1S/C16H23NO2/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3", "name": "Piperocaine", "names": [ "Metycaine", "Piperocaine" ] }, { "compound_id": "C14174", "inchi": "InChI=1S/C20H25NO2/c1-4-21(5-2)16(3)19(17-12-8-6-9-13-17)23-20(22)18-14-10-7-11-15-18/h6-16,19H,4-5H2,1-3H3", "name": "Allocain-S", "names": [ "Allocain-S" ] }, { "compound_id": "C14175", "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3", "name": "Diethyl phthalate", "names": [ "Diethyl 1,2-benzenedicarboxylate", "Diethyl phthalate" ] }, { "compound_id": "C14176", "inchi": "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2", "name": "Chlordane", "names": [ "1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane", "Chlordane" ] }, { "compound_id": "C14177", "inchi": "InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1", "name": "Lombricine", "names": [ "L-Lombricine", "Lombricine" ] }, { "compound_id": "C14178", "inchi": "InChI=1S/C6H16N4O9P2/c7-4(5(11)12)3-19-21(16,17)18-2-1-9-6(8)10-20(13,14)15/h4H,1-3,7H2,(H,11,12)(H,16,17)(H5,8,9,10,13,14,15)/t4-/m0/s1", "name": "N-Phospholombricine", "names": [ "N-Phospho-L-lombricine", "N-Phospholombricine", "n-w-phospholombricine" ] }, { "compound_id": "C14179", "inchi": "InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)", "name": "Sulfoacetate", "names": [ "Sulfoacetate", "Sulfoacetic acid" ] }, { "compound_id": "C14180", "inchi": "InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1", "name": "S-(Hydroxymethyl)glutathione", "names": [ "S-(Hydroxymethyl)glutathione" ] }, { "compound_id": "C14181", "inchi": "InChI=1S/C7H6N2O2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H2,8,10,11)", "name": "2-Benzothiazolesulfonamide", "names": [ "2-Benzothiazolesulfonamide" ] }, { "compound_id": "C14182", "inchi": "InChI=1S/C6H8N2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)", "name": "m-Benzenedisulfonamide", "names": [ "m-Benzenedisulfonamide" ] }, { "compound_id": "C14183", "inchi": "InChI=1S/C18H26O4/c1-11-5-6-12-3-2-4-16(20)18(12)15(11)8-7-14-9-13(19)10-17(21)22-14/h3,5-6,11,13-16,18-20H,2,4,7-10H2,1H3/t11-,13+,14+,15-,16-,18-/m0/s1", "name": "Compactin diol lactone", "names": [ "Compactin diol lactone", "ML-236A" ] }, { "compound_id": "C14184", "inchi": "InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18", "name": "Mirex", "names": [ "Mirex" ] }, { "compound_id": "C14185", "inchi": "InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H", "name": "Heptachlor", "names": [ "Heptachlor", "Heptachlorane" ] }, { "compound_id": "C14186", "inchi": "InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)", "name": "Prometon", "names": [ "2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine", "Prometon" ] }, { "compound_id": "C14187", "inchi": "InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H", "name": "1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane", "names": [ "1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane", "2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane", "o,p'-DDT" ] }, { "compound_id": "C14188", "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3", "name": "3-tert-Butylphenol", "names": [ "3-tert-Butylphenol" ] }, { "compound_id": "C14189", "inchi": "InChI=1S/C12H7Cl3O/c13-8-5-10(14)12(11(15)6-8)7-1-3-9(16)4-2-7/h1-6,16H", "name": "2,4,6-Trichloro-4'-biphenylol", "names": [ "2,4,6-Trichloro-4'-biphenylol", "4-Hydroxy-2',4',6'-trichlorobiphenyl" ] }, { "compound_id": "C14190", "inchi": "InChI=1S/C12H6Cl4O/c13-9-5-8(10(14)12(16)11(9)15)6-1-3-7(17)4-2-6/h1-5,17H", "name": "2,3,4,5-Tetrachloro-4'-biphenylol", "names": [ "2,3,4,5-Tetrachloro-4'-biphenylol", "4-Hydroxy-2',3',4'-5'-tetrachlorobiphenyl" ] }, { "compound_id": "C14191", "inchi": "InChI=1S/C12H9ClO2/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7,14-15H", "name": "2-Chloro-4,4'-biphenyldiol", "names": [ "2-Chloro-(1,1'-biphenyl)-4,4'-diol", "2-Chloro-4,4'-biphenyldiol" ] }, { "compound_id": "C14192", "inchi": "InChI=1S/C12H8Cl2O/c13-10-2-1-3-11(14)12(10)8-4-6-9(15)7-5-8/h1-7,15H", "name": "2,6-Dichloro-4'-biphenylol", "names": [ "2',6'-Dichloro-(1,1'-biphenyl)-4-ol", "2,6-Dichloro-4'-biphenylol" ] }, { "compound_id": "C14193", "inchi": "InChI=1S/C12H8Cl2O/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h1-7,15H", "name": "2,5-Dichloro-4'-biphenylol", "names": [ "2',5'-Dichloro-(1,1'-biphenyl)-4-ol", "2,5-Dichloro-4'-biphenylol" ] }, { "compound_id": "C14194", "inchi": "InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H", "name": "3,3',5,5'-Tetrachloro-4,4'-biphenyldiol", "names": [ "3,3',5,5'-Tetrachloro-4,4'-biphenyldiol" ] }, { "compound_id": "C14195", "inchi": "InChI=1S/C12H9ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H", "name": "4-Chloro-4'-biphenylol", "names": [ "4-Chloro-4'-biphenylol", "4-Chloro-4'-hydroxybiphenyl" ] }, { "compound_id": "C14196", "inchi": "InChI=1S/C12H6Cl4O2/c13-8-7(5-1-3-6(17)4-2-5)9(14)11(16)12(18)10(8)15/h1-4,17-18H", "name": "2,3,5,6-Tetrachloro-4,4'-biphenyldiol", "names": [ "2,3,5,6-Tetrachloro-4,4'-biphenyldiol" ] }, { "compound_id": "C14197", "inchi": "InChI=1S/C12H4Cl6O/c13-4-1-2-5(14)10(16)8(4)9-6(15)3-7(19)11(17)12(9)18/h1-3,19H", "name": "2,2',3,3',6,6'-Hexachloro-4-biphenylol", "names": [ "2,2',3,3',6,6'-Hexachloro-4-biphenylol", "4-Hydroxy-PCB 136" ] }, { "compound_id": "C14198", "inchi": "InChI=1S/C12H4Cl6O/c13-4-1-5(14)9(6(15)2-4)10-7(16)3-8(19)11(17)12(10)18/h1-3,19H", "name": "2,2'3,4',6,6'-Hexachloro-4-biphenylol", "names": [ "2,2'3,4',6,6'-Hexachloro-4-biphenylol" ] }, { "compound_id": "C14199", "inchi": "InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H", "name": "2,2',5,5'-Tetrachlorobiphenyl", "names": [ "2,2',5,5'-TCB", "2,2',5,5'-Tetrachlorobiphenyl", "PCB 52" ] }, { "compound_id": "C14200", "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3", "name": "4-tert-Butylphenol", "names": [ "4-tert-Butylphenol", "Butylphen" ] }, { "compound_id": "C14201", "inchi": "InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H", "name": "2,2',4,4',5,5'-Hexachlorobiphenyl", "names": [ "2,2',4,4',5,5'-Hexachlorobiphenyl", "PCB 153" ] }, { "compound_id": "C14202", "inchi": "InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H", "name": "2,2',4,4',6,6'-Hexachlorobiphenyl", "names": [ "2,2',4,4',6,6'-Hexachlorobiphenyl", "PCB 155" ] }, { "compound_id": "C14203", "inchi": "InChI=1S/C12H4Cl6O/c13-4-1-5(10(17)6(14)2-4)9-11(18)7(15)3-8(16)12(9)19/h1-3,19H", "name": "2,2',3,3',5,5'-Hexachloro-6-biphenylol", "names": [ "2,2',3,3',5,5'-Hexachloro-6-biphenylol" ] }, { "compound_id": "C14204", "inchi": "InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)", "name": "Hydroxyflutamide", "names": [ "Hydroxyflutamide" ] }, { "compound_id": "C14205", "inchi": "InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3", "name": "4-tert-Octylphenol", "names": [ "4-(1,1,3,3-Tetramethylbutyl)phenol", "4-t-Octylphenol", "4-tert-Octylphenol" ] }, { "compound_id": "C14206", "inchi": "InChI=1S/C12H11Cl2NO4/c1-3-12(2,10(16)17)19-11(18)15-9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3,(H,15,18)(H,16,17)", "name": "M1", "names": [ "2-(((3,5-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid", "M1" ] }, { "compound_id": "C14207", "inchi": "InChI=1S/C11H11Cl2NO2/c1-3-11(2,16)10(15)14-9-5-7(12)4-8(13)6-9/h3-6,16H,1H2,2H3,(H,14,15)", "name": "M2", "names": [ "3',5'-Dichloro-2-hydroxy-2-methylbut-3-enanilide", "M2", "N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide" ] }, { "compound_id": "C14208", "inchi": "InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1", "name": "Promegestone", "names": [ "Promegestone" ] }, { "compound_id": "C14209", "inchi": "InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1", "name": "4-Hydroxyestradiol-17beta", "names": [ "4-Hydroxyestradiol-17beta", "4-OH-Estradiol" ] }, { "compound_id": "C14210", "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1", "name": "4-Androstenediol", "names": [ "4-Androstenediol", "Androst-4-ene-3beta,17beta-diol" ] }, { "compound_id": "C14211", "inchi": "InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3", "name": "Butylbenzyl phthalate", "names": [ "Butyl phenylmethyl 1,2-benzenedicarboxylate", "Butylbenzyl phthalate" ] }, { "compound_id": "C14212", "inchi": "InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3", "name": "Nafoxidine", "names": [ "Nafoxidine" ] }, { "compound_id": "C14213", "inchi": "InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H", "name": "Aurin", "names": [ "Aurin" ] }, { "compound_id": "C14214", "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3", "name": "Dibutyl phthalate", "names": [ "Di-n-butyl phthalate", "Dibutyl 1,2-benzenedicarboxylate", "Dibutyl phthalate" ] }, { "compound_id": "C14215", "inchi": "InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H", "name": "2,4-Dihydroxybenzophenone", "names": [ "2,4-Dihydroxybenzophenone" ] }, { "compound_id": "C14216", "inchi": "InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H", "name": "4,4'-Sulfonyldiphenol", "names": [ "1,1'-Sulfonylbis(4-hydroxybenzene)", "4,4'-Sulfonyldiphenol", "Bisphenol S" ] }, { "compound_id": "C14217", "inchi": "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3", "name": "1,6-Dimethylnaphthalene", "names": [ "1,6-Dimethylnaphthalene" ] }, { "compound_id": "C14218", "inchi": "InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2", "name": "Octane-1,8-diol", "names": [ "1,8-Octanediol", "Octane-1,8-diol" ] }, { "compound_id": "C14219", "inchi": "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H", "name": "2-Chlorophenol", "names": [ "2-Chloro-1-hydroxybenzene", "2-Chlorophenol" ] }, { "compound_id": "C14220", "inchi": "InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H", "name": "4,4'-Dihydroxybenzophenone", "names": [ "4,4'-Dihydroxybenzophenone" ] }, { "compound_id": "C14221", "inchi": "InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2", "name": "6-Hydroxyflavanone", "names": [ "6-Hydroxyflavanone" ] }, { "compound_id": "C14222", "inchi": "InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H", "name": "Chrysene", "names": [ "1,2-Benzophenanthrene", "Benz[a]phenanthrene", "Chrysene" ] }, { "compound_id": "C14223", "inchi": "InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)", "name": "Phenolphthalin", "names": [ "Phenolphthalin" ] }, { "compound_id": "C14224", "inchi": "InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H", "name": "4-Hydroxybiphenyl", "names": [ "4-Hydroxybiphenyl", "4-Phenylphenol" ] }, { "compound_id": "C14225", "inchi": "InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3", "name": "Bisphenol B", "names": [ "2,2-Bis(4-hydroxyphenyl)butane", "4,4'-Dihydroxy-2,2-diphenylbutane", "Bisphenol B" ] }, { "compound_id": "C14226", "inchi": "InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3", "name": "p-tert-Amylphenol", "names": [ "4-t-Amylphenol", "4-tert-Pentylphenol", "p-tert-Amylphenol" ] }, { "compound_id": "C14227", "inchi": "InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3", "name": "Di-n-octyl phthalate", "names": [ "Bis(n-octyl) phthalate", "Di-n-octyl phthalate", "Dioctyl 1,2-benzenedicarboxylate" ] }, { "compound_id": "C14228", "inchi": "InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3", "name": "Parathion-methyl", "names": [ "Methyl parathion", "Methylparathion", "Parathion-methyl" ] }, { "compound_id": "C14229", "inchi": "InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)", "name": "Propanil", "names": [ "DCPA", "N-(3,4-Dichlorophenyl)propanamide", "Propanil" ] }, { "compound_id": "C14230", "inchi": "InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H", "name": "4-Hydroxybenzophenone", "names": [ "(4-Hydroxyphenyl)phenylmethanone", "4-Hydroxybenzophenone" ] }, { "compound_id": "C14231", "inchi": "InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+", "name": "4-Hydroxychalcone", "names": [ "4-Hydroxychalcone" ] }, { "compound_id": "C14232", "inchi": "InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+", "name": "4'-Hydroxychalcone", "names": [ "4'-Hydroxychalcone" ] }, { "compound_id": "C14233", "inchi": "InChI=1S/C14H12O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H/b2-1+", "name": "4,4'-Dihydroxystilbene", "names": [ "4,4'-Dihydroxystilbene" ] }, { "compound_id": "C14234", "inchi": "InChI=1S/C16H16O2/c1-11(13-3-7-15(17)8-4-13)12(2)14-5-9-16(18)10-6-14/h3-10,17-18H,1-2H3/b12-11+", "name": "Dimethylstilbestrol", "names": [ "(E)-4,4'-(1,2-Dimethyl-1,2-ethenediyl)bisphenol", "Dimethylstilbestrol" ] }, { "compound_id": "C14235", "inchi": "InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H", "name": "Triphenyl phosphate", "names": [ "Triphenyl phosphate" ] }, { "compound_id": "C14236", "inchi": "InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3", "name": "4-Heptyloxyphenol", "names": [ "4-Heptyloxyphenol", "p-n-Heptyloxyphenol" ] }, { "compound_id": "C14237", "inchi": "InChI=1S/C15H12Cl2O2/c1-19-13-8-4-11(5-9-13)14(15(16)17)10-2-6-12(18)7-3-10/h2-9,18H,1H3", "name": "4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol", "names": [ "4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol", "Monohydroxymethoxychlor olefin" ] }, { "compound_id": "C14238", "inchi": "InChI=1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H", "name": "1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene", "names": [ "1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene", "4,4'-(Dichloroethenylidene)bis[phenol]", "Dihydroxymethoxychlor olefin" ] }, { "compound_id": "C14239", "inchi": "InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1", "name": "3-Deoxyestradiol", "names": [ "3-Deoxy-17beta-estradiol", "3-Deoxyestradiol" ] }, { "compound_id": "C14240", "inchi": "InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3", "name": "Di(2-ethylhexyl) adipate", "names": [ "Di(2-ethylhexyl) adipate", "Diethylhexyl adipate", "Dioctyl adipate" ] }, { "compound_id": "C14241", "inchi": "InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2", "name": "4'-Hydroxyflavanone", "names": [ "2,3-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one", "4'-Hydroxyflavanone" ] }, { "compound_id": "C14242", "inchi": "InChI=1S/C20H28O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,7,10,15-18,21-22H,4,6,8-9,11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1", "name": "Mytatrienediol", "names": [ "16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol", "17-alpha-Methylestriol 3-methyl ether", "Mytatrienediol" ] }, { "compound_id": "C14243", "inchi": "InChI=1S/C18H22O4/c1-3-13(11-5-7-15(19)17(21)9-11)14(4-2)12-6-8-16(20)18(22)10-12/h5-10,13-14,19-22H,3-4H2,1-2H3", "name": "3,3'-Dihydroxyhexestrol", "names": [ "3,3'-Dihydroxyhexestrol", "4,4'-(1,2-Diethylethylene)dipyrocatechol" ] }, { "compound_id": "C14244", "inchi": "InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2", "name": "4-(Benzyloxyl)phenol", "names": [ "4-(Benzyloxyl)phenol", "4-(Phenylmethoxy)phenol", "Monobenzone" ] }, { "compound_id": "C14245", "inchi": "InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3", "name": "4-Dodecylphenol", "names": [ "4-Dodecylphenol" ] }, { "compound_id": "C14246", "inchi": "InChI=1S/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H", "name": "2,4'-Dichlorobiphenyl", "names": [ "2,4'-Dichlorobiphenyl", "PCB 8" ] }, { "compound_id": "C14247", "inchi": "InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H", "name": "2,2',4,4'-Tetrachlorobiphenyl", "names": [ "2,2',4,4'-Tetrachlorobiphenyl", "PCB 47" ] }, { "compound_id": "C14248", "inchi": "InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H", "name": "4,4'-Dichlorobiphenyl", "names": [ "4,4'-Dichlorobiphenyl", "PCB 15" ] }, { "compound_id": "C14249", "inchi": "InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1", "name": "Norethynodrel", "names": [ "Norethynodrel" ] }, { "compound_id": "C14250", "inchi": "InChI=1S/C16H14Cl2O2/c1-19-13-7-3-11(4-8-13)15(16(17)18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3", "name": "p,p'-Methoxychlor olefin", "names": [ "1,1-Bis(p-methoxyphenyl)-2,2-dichloroethylene", "1,1-Dichloro-2,2-bis(p-methoxyphenyl)ethylene", "p,p'-Methoxychlor olefin" ] }, { "compound_id": "C14251", "inchi": "InChI=1S/C16H22OSi2/c1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3", "name": "1,3-Diphenyltetramethyldisiloxane", "names": [ "1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane", "1,3-Diphenyltetramethyldisiloxane" ] }, { "compound_id": "C14252", "inchi": "InChI=1S/C18H26OSi2/c1-20(2,15-17-11-7-5-8-12-17)19-21(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3", "name": "1,3-Dibenzyltetramethyldisiloxane", "names": [ "1,3-Dibenzyltetramethyldisiloxane" ] }, { "compound_id": "C14253", "inchi": "InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3", "name": "Dibutyl adipate", "names": [ "Di-n-butyl adipate", "Dibutyl adipate" ] }, { "compound_id": "C14254", "inchi": "InChI=1S/C19H32O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1", "name": "5alpha-Androstan-17beta-ol", "names": [ "5alpha-Androstan-17beta-ol", "Androstan-17-ol" ] }, { "compound_id": "C14255", "inchi": "InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1", "name": "Mibolerone", "names": [ "17-beta-Hydroxy-7-alpha,17-dimethylestr-4-en-3-one", "Mibolerone" ] }, { "compound_id": "C14256", "inchi": "InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,16-17,22H,3-8,10H2,1-2H3/t13-,14-,16-,17+,18-,19-/m0/s1", "name": "11-Keto-testosterone", "names": [ "11-Keto-testosterone", "17beta-Hydroxyandrost-4-ene-3,11-dione" ] }, { "compound_id": "C14257", "inchi": "InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1", "name": "Methyltrienolone", "names": [ "17-beta-Hydroxy-17-methylestra-4,9,11-trien-3-one", "Methyltrienolone", "Metribolone" ] }, { "compound_id": "C14258", "inchi": "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3", "name": "p-Cumylphenol", "names": [ "2-Phenyl-2-(4-hydroxyphenyl)propane", "p-Cumylphenol" ] }, { "compound_id": "C14259", "inchi": "InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1", "name": "Stanolone benzoate", "names": [ "DHT benzoate", "Dihydrotestosterone benzoate", "Stanolone benzoate" ] }, { "compound_id": "C14260", "inchi": "InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3", "name": "Diisobutyl adipate", "names": [ "Diisobutyl adipate" ] }, { "compound_id": "C14261", "inchi": "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1", "name": "Trenbolone", "names": [ "17-beta-Hydroxyestra-4,9,11-trien-3-one", "Trenbolone" ] }, { "compound_id": "C14262", "inchi": "InChI=1S/C11H15NO3/c1-3-15-10-6-4-9(5-7-10)12-11(14)8(2)13/h4-8,13H,3H2,1-2H3,(H,12,14)", "name": "p-Lactophenetide", "names": [ "4'-Ethoxylactanilide", "Lactylphenetidin", "p-Lactophenetide" ] }, { "compound_id": "C14263", "inchi": "InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2", "name": "N-Benzylphthalimide", "names": [ "2-Benzylisoindole-1,3-dione", "N-Benzylphthalimide" ] }, { "compound_id": "C14264", "inchi": "InChI=1S/C15H11NO3/c17-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)15(16)19/h1-8,17H,9H2", "name": "2-(4-Hydroxybenzyl)isoindole-1,3-dione", "names": [ "2-(4-Hydroxybenzyl)isoindole-1,3-dione" ] }, { "compound_id": "C14265", "inchi": "InChI=1S/C15H10N2O4/c18-14-12-3-1-2-4-13(12)15(19)16(14)9-10-5-7-11(8-6-10)17(20)21/h1-8H,9H2", "name": "N-(p-Nitrobenzyl)phthalimide", "names": [ "2-(4-Nitrobenzyl)isoindole-1,3-dione", "N-(p-Nitrobenzyl)phthalimide" ] }, { "compound_id": "C14266", "inchi": "InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)", "name": "p-Chloroacetoacetanilide", "names": [ "4'-Chloroacetoacetanilide", "p-Chloroacetoacetanilide" ] }, { "compound_id": "C14267", "inchi": "InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H", "name": "2,6-Dihydroxyanthraquinone", "names": [ "2,6-Dihydroxyanthraquinone" ] }, { "compound_id": "C14268", "inchi": "InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H", "name": "Fenpiclonil", "names": [ "3-(2,3-Dichlorophenyl)-4-cyanopyrrole", "Fenpiclonil" ] }, { "compound_id": "C14269", "inchi": "InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11,13-14,17H,3-10H2,1-2H3/t11-,13-,14-,17+,18-,19-/m0/s1", "name": "5alpha-Androstane-3,11,17-trione", "names": [ "5alpha-Androstane-3,11,17-trione" ] }, { "compound_id": "C14270", "inchi": "InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H", "name": "3-Chlorophenol", "names": [ "3-Chlorophenol" ] }, { "compound_id": "C14271", "inchi": "InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3", "name": "Ethohexadiol", "names": [ "2-Ethyl-1,3-hexanediol", "Ethohexadiol" ] }, { "compound_id": "C14272", "inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3", "name": "1-Octen-3-ol", "names": [ "1-Octen-3-ol" ] }, { "compound_id": "C14273", "inchi": "InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3", "name": "1,2-Octanediol", "names": [ "1,2-Dihydroxyoctane", "1,2-Octanediol" ] }, { "compound_id": "C14274", "inchi": "InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)", "name": "4-Heptyloxybenzoic acid", "names": [ "4-Heptyloxybenzoic acid" ] }, { "compound_id": "C14275", "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H", "name": "Furan", "names": [ "Furan" ] }, { "compound_id": "C14276", "inchi": "InChI=1S/C24H24O/c25-24-13-11-20(12-14-24)23-16-21(18-7-3-1-4-8-18)15-22(17-23)19-9-5-2-6-10-19/h1-14,21-23,25H,15-17H2", "name": "4-(3,5-Diphenylcyclohexyl)phenol", "names": [ "4-(3,5-Diphenylcyclohexyl)phenol" ] }, { "compound_id": "C14277", "inchi": "InChI=1S/C16H16O/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2", "name": "3,4-Diphenyltetrahydrofuran", "names": [ "3,4-Diphenyltetrahydrofuran" ] }, { "compound_id": "C14278", "inchi": "InChI=1S/C21H20/c1-17(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3", "name": "1,1,2-Triphenylpropane", "names": [ "1,1,2-Triphenylpropane" ] }, { "compound_id": "C14279", "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H", "name": "Furfural", "names": [ "2-Furaldehyde", "Furfural" ] }, { "compound_id": "C14280", "inchi": "InChI=1S/C9H14O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h5-7,9H,3-4H2,1-2H3", "name": "Furfural diethyl acetal", "names": [ "Furfural diethyl acetal" ] }, { "compound_id": "C14281", "inchi": "InChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H", "name": "5-Nitrofurfural", "names": [ "5-Nitro-2-furaldehyde", "5-Nitro-2-furfural", "5-Nitrofurfural" ] }, { "compound_id": "C14282", "inchi": "InChI=1S/C4H3O.ClH.Hg/c1-2-4-5-3-1;;/h1-3H;1H;/q;;+1/p-1", "name": "2-Furylmercury chloride", "names": [ "2-Furylmercury chloride" ] }, { "compound_id": "C14283", "inchi": "InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3", "name": "2,2'-Dihydroxy-4-methoxybenzophenone", "names": [ "2,2'-Dihydroxy-4-methoxybenzophenone", "Dioxybenzone" ] }, { "compound_id": "C14284", "inchi": "InChI=1S/C13H10O3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,14-15H", "name": "2,2'-Dihydroxybenzophenone", "names": [ "2,2'-Dihydroxybenzophenone" ] }, { "compound_id": "C14285", "inchi": "InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3", "name": "2-Hydroxy-4-methoxybenzophenone", "names": [ "2-Hydroxy-4-methoxybenzophenone", "Oxybenzone" ] }, { "compound_id": "C14286", "inchi": "InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H", "name": "Phenolphthalein", "names": [ "3,3-Bis(4-hydroxyphenyl)phthalide", "Phenolphthalein" ] }, { "compound_id": "C14287", "inchi": "InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3", "name": "4,4'-Methylenebis(2,6-di-tert-butylphenol)", "names": [ "4,4'-Methylenebis(2,6-di-tert-butylphenol)" ] }, { "compound_id": "C14288", "inchi": "InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2", "name": "4,4'-Methylenedianiline", "names": [ "4,4'-Diaminodiphenylmethane", "4,4'-Methylenedianiline" ] }, { "compound_id": "C14289", "inchi": "InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2", "name": "Dibenzo-18-crown-6", "names": [ "Dibenzo-18-crown-6" ] }, { "compound_id": "C14290", "inchi": "InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2", "name": "7-Hydroxyflavanone", "names": [ "7-Hydroxyflavanone" ] }, { "compound_id": "C14291", "inchi": "InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)", "name": "Carbofuran", "names": [ "2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate", "Carbofuran" ] }, { "compound_id": "C14292", "inchi": "InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2", "name": "Dichlorophen", "names": [ "2,2'-Methylenebis(4-chlorophenol)", "Dichlorophen" ] }, { "compound_id": "C14293", "inchi": "InChI=1S/C6H7NO4/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3", "name": "5-Nitro-2-furfuryl methyl ether", "names": [ "5-Nitro-2-furfuryl methyl ether", "NF 45" ] }, { "compound_id": "C14294", "inchi": "InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)", "name": "Diphenolic acid", "names": [ "4,4-Bis(4-hydroxyphenyl)pentanoic acid", "Diphenolic acid" ] }, { "compound_id": "C14295", "inchi": "InChI=1S/C13H16N2O8S.H2O/c1-5(16)8-10(18)15-9(12(19)23-4-22-6(2)17)7(24-11(8)15)3-21-13(14)20;/h5,8,11,16H,3-4H2,1-2H3,(H2,14,20);1H2/t5-,8-,11-;/m1./s1", "name": "Ritipenem acoxil hydrate", "names": [ "FC/TA-891", "Penemac", "Ritipenem acoxil hydrate" ] }, { "compound_id": "C14296", "inchi": "InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+", "name": "Droloxifene", "names": [ "3-Hydroxytamoxifen", "Droloxifene" ] }, { "compound_id": "C14297", "inchi": "InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H", "name": "4,4'-Dihydroxybiphenyl", "names": [ "4,4'-Biphenyldiol", "4,4'-Dihydroxybiphenyl" ] }, { "compound_id": "C14298", "inchi": "InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2", "name": "Bis(4-hydroxyphenyl)methane", "names": [ "4,4'-Dihydroxydiphenylmethane", "Bis(4-hydroxyphenyl)methane", "Bisphenol F" ] }, { "compound_id": "C14299", "inchi": "InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)", "name": "Cyanazine", "names": [ "Cyanazine" ] }, { "compound_id": "C14300", "inchi": "InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3", "name": "Di-n-pentyl phthalate", "names": [ "Di-n-pentyl phthalate", "Diamyl phthalate" ] }, { "compound_id": "C14301", "inchi": "InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H", "name": "Dicofol", "names": [ "Dicofol", "Kelthane" ] }, { "compound_id": "C14302", "inchi": "InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3", "name": "Dinoseb", "names": [ "2,4-Dinitro-6-(1-methylpropyl)phenol", "Dinoseb" ] }, { "compound_id": "C14303", "inchi": "InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1", "name": "Equilenin", "names": [ "3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one", "Equilenin" ] }, { "compound_id": "C14304", "inchi": "InChI=1S/C12H8N4O5/c13-12-15-14-11(21-12)8(9-2-1-5-19-9)6-7-3-4-10(20-7)16(17)18/h1-6H,(H2,13,15)/b8-6+", "name": "Furamizole", "names": [ "Furamizole", "NF 161" ] }, { "compound_id": "C14305", "inchi": "InChI=1S/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3", "name": "4-Hexyloxyphenol", "names": [ "4-Hexyloxyphenol" ] }, { "compound_id": "C14306", "inchi": "InChI=1S/C7H6N2O4/c8-6(10)3-1-5-2-4-7(13-5)9(11)12/h1-4H,(H2,8,10)/b3-1+", "name": "Nitrofurylacrylamide", "names": [ "Nitrofurylacrylamide", "Z-Furan" ] }, { "compound_id": "C14307", "inchi": "InChI=1S/C19H25ClO2/c1-19-9-12(10-20)18-14-5-3-13(21)8-11(14)2-4-15(18)16(19)6-7-17(19)22/h3,5,8,12,15-18,21-22H,2,4,6-7,9-10H2,1H3/t12-,15+,16+,17+,18-,19+/m1/s1", "name": "11beta-Chloromethylestradiol", "names": [ "11beta-Chloromethylestradiol", "Org 4333" ] }, { "compound_id": "C14308", "inchi": "InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+", "name": "Methoprene", "names": [ "(E,E)-1-Methylethyl 11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate", "Methoprene" ] }, { "compound_id": "C14309", "inchi": "InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2", "name": "5,6,7,8-Tetrahydro-2-naphthol", "names": [ "5,6,7,8-Tetrahydro-2-naphthol" ] }, { "compound_id": "C14310", "inchi": "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)", "name": "Picloram", "names": [ "4-Amino-3,5,6-trichloropyridine-2-carboxylic acid", "Picloram" ] }, { "compound_id": "C14311", "inchi": "InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3", "name": "4-Propylphenol", "names": [ "4-Propylphenol" ] }, { "compound_id": "C14312", "inchi": "InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)", "name": "Propazine", "names": [ "2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine", "Propazine" ] }, { "compound_id": "C14313", "inchi": "InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H", "name": "3',4',7-Trihydroxyisoflavone", "names": [ "3',4',7-Trihydroxyisoflavone" ] }, { "compound_id": "C14314", "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H", "name": "4',6,7-Trihydroxyisoflavone", "names": [ "4',6,7-Trihydroxyisoflavone", "6-Hydroxydaidzein" ] }, { "compound_id": "C14315", "inchi": "InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H", "name": "Anthracene", "names": [ "Anthracene" ] }, { "compound_id": "C14316", "inchi": "InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)", "name": "SB 218655", "names": [ "SB 218655" ] }, { "compound_id": "C14317", "inchi": "InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H", "name": "Benz[a]anthracene", "names": [ "1,2-Benzanthracene", "Benz[a]anthracene" ] }, { "compound_id": "C14318", "inchi": "InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H", "name": "Benzo[ghi]perylene", "names": [ "1,12-Benzoperylene", "Benzo[ghi]perylene" ] }, { "compound_id": "C14319", "inchi": "InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)", "name": "SR 141716", "names": [ "Rimonabant", "SR 141716" ] }, { "compound_id": "C14320", "inchi": "InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H", "name": "Benzo[b]fluoranthene", "names": [ "3,4-Benzfluoranthene", "Benzo[b]fluoranthene" ] }, { "compound_id": "C14321", "inchi": "InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H", "name": "Benzo[k]fluoranthene", "names": [ "11,12-Benzofluoranthene", "Benzo[k]fluoranthene" ] }, { "compound_id": "C14322", "inchi": "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3", "name": "Chlorpyrifos", "names": [ "Chlorpyrifos", "Chlorpyriphos" ] }, { "compound_id": "C14323", "inchi": "InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3", "name": "Butylate", "names": [ "Butylate", "S-Ethyl N,N-diisobutylthiocarbamate", "Sutan" ] }, { "compound_id": "C14324", "inchi": "InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3", "name": "Diazinon", "names": [ "Diazinon" ] }, { "compound_id": "C14325", "inchi": "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H", "name": "Dibenz[a,h]anthracene", "names": [ "1,2:5,6-Dibenzanthracene", "Dibenz[a,h]anthracene" ] }, { "compound_id": "C14326", "inchi": "InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)", "name": "Dimethoate", "names": [ "Dimethoate" ] }, { "compound_id": "C14327", "inchi": "InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H", "name": "Heptachlor epoxide", "names": [ "Heptachlor epoxide" ] }, { "compound_id": "C14328", "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H", "name": "1,2-Dichlorobenzene", "names": [ "1,2-Dichlorobenzene", "o-Dichlorobenzene" ] }, { "compound_id": "C14329", "inchi": "InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3", "name": "1,2-Dimethylnaphthalene", "names": [ "1,2-Dimethylnaphthalene" ] }, { "compound_id": "C14330", "inchi": "InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3", "name": "2,6-Dimethylnaphthalene", "names": [ "2,6-Dimethylnaphthalene" ] }, { "compound_id": "C14331", "inchi": "InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3", "name": "4-Chloro-m-cresol", "names": [ "4-Chloro-3-methylphenol", "4-Chloro-m-cresol", "Chlorocresol" ] }, { "compound_id": "C14332", "inchi": "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3", "name": "Metribuzin", "names": [ "Metribuzin" ] }, { "compound_id": "C14333", "inchi": "InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)", "name": "Propyzamide", "names": [ "3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide", "Pronamide", "Propyzamide" ] }, { "compound_id": "C14334", "inchi": "InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)", "name": "Propoxur", "names": [ "2-Isopropoxyphenyl N-methylcarbamate", "Aprocarb", "Propoxur" ] }, { "compound_id": "C14335", "inchi": "InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H", "name": "Pyrene", "names": [ "Pyrene" ] }, { "compound_id": "C14336", "inchi": "InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2", "name": "1,2-Dibromo-3-chloropropane", "names": [ "1,2-Dibromo-3-chloropropane", "DBCP" ] }, { "compound_id": "C14337", "inchi": "InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3", "name": "Bioallethrin", "names": [ "Allethrin", "Bioallethrin", "Pynamin" ] }, { "compound_id": "C14338", "inchi": "InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9", "name": "Quintozene", "names": [ "PCNB", "Pentachloronitrobenzene", "Quintozene" ] }, { "compound_id": "C14339", "inchi": "InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3", "name": "3,3'-Dimethylbisphenol A", "names": [ "2,2-Bis(4-hydroxy-3-methylphenyl)propane", "3,3'-Dimethylbisphenol A" ] }, { "compound_id": "C14340", "inchi": "InChI=1S/C14H14O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11,15H,6-7H2", "name": "4-(2-Phenylethyl)phenol", "names": [ "4-(2-Phenylethyl)phenol", "4-Phenethylphenol" ] }, { "compound_id": "C14341", "inchi": "InChI=1S/C14H14O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,15-16H,1-2H2", "name": "4,4'-Dihydroxybibenzyl", "names": [ "4,4'-(1,2-Ethanediyl)bisphenol", "4,4'-Dihydroxybibenzyl" ] }, { "compound_id": "C14342", "inchi": "InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H", "name": "3-Hydroxybiphenyl", "names": [ "3-Hydroxybiphenyl", "3-Phenylphenol" ] }, { "compound_id": "C14343", "inchi": "InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3", "name": "Trifluralin", "names": [ "2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline", "Trifluralin" ] }, { "compound_id": "C14344", "inchi": "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8,16-17H", "name": "4',6-Dihydroxyflavone", "names": [ "4',6-Dihydroxyflavone" ] }, { "compound_id": "C14345", "inchi": "InChI=1S/C23H24O4/c1-15(2)21(24)26-19-11-7-17(8-12-19)23(5,6)18-9-13-20(14-10-18)27-22(25)16(3)4/h7-14H,1,3H2,2,4-6H3", "name": "Bisphenol A dimethacrylate", "names": [ "2,2-Di(4-methacryloxyphenyl)propane", "Bisphenol A dimethacrylate" ] }, { "compound_id": "C14346", "inchi": "InChI=1S/C17H14Cl2O4/c1-17(2,11-3-7-13(8-4-11)22-15(18)20)12-5-9-14(10-6-12)23-16(19)21/h3-10H,1-2H3", "name": "Bisphenol A bis(chloroformate)", "names": [ "2,2-Bis[p-(chloroformyloxy)phenyl]propane", "Bisphenol A bis(chloroformate)" ] }, { "compound_id": "C14347", "inchi": "InChI=1S/C19H24O4/c1-19(2,15-3-7-17(8-4-15)22-13-11-20)16-5-9-18(10-6-16)23-14-12-21/h3-10,20-21H,11-14H2,1-2H3", "name": "Bisphenol A bis(2-hydroxyethyl)ether", "names": [ "2,2-Bis[4-(2-hydroxyethoxy)phenyl]propane", "Bisphenol A bis(2-hydroxyethyl)ether", "Bisphenol A ethoxylate" ] }, { "compound_id": "C14348", "inchi": "InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3", "name": "Bisphenol A diglycidyl ether", "names": [ "2,2-Bis(4-glycidyloxyphenyl)propane", "Bisphenol A diglycidyl ether" ] }, { "compound_id": "C14349", "inchi": "InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3", "name": "1,1-Bis(4-hydroxyphenyl)ethane", "names": [ "1,1-Bis(4-hydroxyphenyl)ethane", "Bisphenol E" ] }, { "compound_id": "C14350", "inchi": "InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H", "name": "2,2-Bis(4-hydroxyphenyl)hexafluoropropane", "names": [ "2,2-Bis(4-hydroxyphenyl)hexafluoropropane", "Bisphenol AF" ] }, { "compound_id": "C14351", "inchi": "InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3", "name": "4-Butoxyphenol", "names": [ "4-Butoxyphenol" ] }, { "compound_id": "C14352", "inchi": "InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H", "name": "6-Bromo-2-naphthol", "names": [ "6-Bromo-2-naphthol" ] }, { "compound_id": "C14353", "inchi": "InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H", "name": "2-Chlorobiphenyl", "names": [ "2-Chlorobiphenyl", "2-Monochlorobiphenyl", "PCB 1" ] }, { "compound_id": "C14354", "inchi": "InChI=1S/C12H8Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H", "name": "2,5-Dichlorobiphenyl", "names": [ "2,5-Dichlorobiphenyl", "PCB 9" ] }, { "compound_id": "C14355", "inchi": "InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H", "name": "2,6-Dichlorobiphenyl", "names": [ "2,6-Dichlorobiphenyl", "PCB 10" ] }, { "compound_id": "C14356", "inchi": "InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H", "name": "3,5-Dichlorobiphenyl", "names": [ "3,5-Dichlorobiphenyl", "PCB 14" ] }, { "compound_id": "C14357", "inchi": "InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H", "name": "2,3,4-Trichlorobiphenyl", "names": [ "2,3,4-Trichlorobiphenyl", "PCB 21" ] }, { "compound_id": "C14358", "inchi": "InChI=1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H", "name": "2,3',5-Trichlorobiphenyl", "names": [ "2,3',5-Trichlorobiphenyl", "PCB 26" ] }, { "compound_id": "C14359", "inchi": "InChI=1S/C12H7Cl3/c13-9-6-7-10(14)12(15)11(9)8-4-2-1-3-5-8/h1-7H", "name": "2,3,6-Trichlorobiphenyl", "names": [ "2,3,6-Trichlorobiphenyl", "PCB 24" ] }, { "compound_id": "C14360", "inchi": "InChI=1S/C12H6Cl4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H", "name": "2,2',4,5-Tetrachlorobiphenyl", "names": [ "2,2',4,5-Tetrachlorobiphenyl", "PCB 48" ] }, { "compound_id": "C14361", "inchi": "InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-6-10(14)12(16)11(9)15/h1-6H", "name": "2,3,4,4'-Tetrachlorobiphenyl", "names": [ "2,3,4,4'-Tetrachlorobiphenyl", "PCB 60" ] }, { "compound_id": "C14362", "inchi": "InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H", "name": "2,3,4,5-Tetrachlorobiphenyl", "names": [ "2,3,4,5-Tetrachlorobiphenyl", "PCB 61" ] }, { "compound_id": "C14363", "inchi": "InChI=1S/C12H6Cl4/c13-8-6-9(14)12(16)10(11(8)15)7-4-2-1-3-5-7/h1-6H", "name": "2,3,5,6-Tetrachlorobiphenyl", "names": [ "2,3,5,6-Tetrachlorobiphenyl", "PCB 65" ] }, { "compound_id": "C14364", "inchi": "InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)12-10(15)5-9(14)6-11(12)16/h1-6H", "name": "2,4,4',6-Tetrachlorobiphenyl", "names": [ "2,4,4',6-Tetrachlorobiphenyl", "PCB 75" ] }, { "compound_id": "C14365", "inchi": "InChI=1S/C12H5Cl5/c13-7-3-1-2-6(4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H", "name": "2,3,3',4,5-Pentachlorobiphenyl", "names": [ "2,3,3',4,5-Pentachlorobiphenyl", "PCB 106" ] }, { "compound_id": "C14366", "inchi": "InChI=1S/C12H5Cl5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H", "name": "2,3,4,5,6-Pentachlorobiphenyl", "names": [ "2,3,4,5,6-Pentachlorobiphenyl", "PCB 116" ] }, { "compound_id": "C14367", "inchi": "InChI=1S/C12H4Cl6/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4H", "name": "2,2',3,3',5,5'-Hexachlorobiphenyl", "names": [ "2,2',3,3',5,5'-Hexachlorobiphenyl", "PCB 133" ] }, { "compound_id": "C14368", "inchi": "InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16", "name": "Decachlorobiphenyl", "names": [ "Decachlorobiphenyl", "PCB 209" ] }, { "compound_id": "C14369", "inchi": "InChI=1S/C12H4Cl6/c13-5-1-3-7(15)11(17)9(5)10-6(14)2-4-8(16)12(10)18/h1-4H", "name": "2,2',3,3',6,6'-Hexachlorobiphenyl", "names": [ "2,2',3,3',6,6'-Hexachlorobiphenyl", "PCB 136" ] }, { "compound_id": "C14370", "inchi": "InChI=1S/C12H8Cl2O/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7,15H", "name": "2-Hydroxy-3,5-dichlorobiphenyl", "names": [ "2,4-Dichloro-6-phenylphenol", "2-Hydroxy-3,5-dichlorobiphenyl", "3,5-Dichloro-2-hydroxybiphenyl" ] }, { "compound_id": "C14371", "inchi": "InChI=1S/C12H8Cl2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H", "name": "4-Hydroxy-3,5-dichlorobiphenyl", "names": [ "3,5-Dichloro-4-hydroxybiphenyl", "4-Hydroxy-3,5-dichlorobiphenyl" ] }, { "compound_id": "C14372", "inchi": "InChI=1S/C12H5Cl5O/c13-5-1-2-9(18)6(3-5)7-4-8(14)11(16)12(17)10(7)15/h1-4,18H", "name": "2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl", "names": [ "2',3',4',5,5'-Pentachloro-2-hydroxybiphenyl", "2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl" ] }, { "compound_id": "C14373", "inchi": "InChI=1S/C12H5Cl5O/c13-8-3-5(18)1-2-6(8)7-4-9(14)11(16)12(17)10(7)15/h1-4,18H", "name": "4-Hydroxy-2,2',3',4',5'-pentachlorobiphenyl", "names": [ "2,2',3',4',5'-Pentachloro-4-biphenylol", "4-Hydroxy-2,2',3',4',5'-pentachlorobiphenyl" ] }, { "compound_id": "C14374", "inchi": "InChI=1S/C12H5Cl5O/c13-7-3-5(18)1-2-6(7)10-8(14)4-9(15)11(16)12(10)17/h1-4,18H", "name": "4-Hydroxy-2,2',3',4',6'-pentachlorobiphenyl", "names": [ "2,2',3',4',6'-Pentachloro-4-biphenylol", "4-Hydroxy-2,2',3',4',6'-pentachlorobiphenyl" ] }, { "compound_id": "C14375", "inchi": "InChI=1S/C12H5Cl5O/c13-7-3-5(18)1-2-6(7)10-11(16)8(14)4-9(15)12(10)17/h1-4,18H", "name": "4-Hydroxy-2,2',3',5',6'-pentachlorobiphenyl", "names": [ "2,2',3',5',6'-Pentachloro-4-biphenylol", "4-Hydroxy-2,2',3',5',6'-pentachlorobiphenyl" ] }, { "compound_id": "C14376", "inchi": "InChI=1S/C12H6Cl4O/c13-6-3-10(15)12(11(16)4-6)8-2-1-7(17)5-9(8)14/h1-5,17H", "name": "4-Hydroxy-2,2',4',6'-tetrachlorobiphenyl", "names": [ "2,2',4',6'-Tetrachloro-4-biphenylol", "4-Hydroxy-2,2',4',6'-tetrachlorobiphenyl" ] }, { "compound_id": "C14377", "inchi": "InChI=1S/C12H5Cl5O/c13-7-3-5(1-2-9(7)18)6-4-8(14)11(16)12(17)10(6)15/h1-4,18H", "name": "4-Hydroxy-2',3,3',4',5'-pentachlorobiphenyl", "names": [ "2',3,3',4',5'-Pentachloro-4-biphenylol", "4-Hydroxy-2',3,3',4',5'-pentachlorobiphenyl", "4-Hydroxy-PCB 106" ] }, { "compound_id": "C14378", "inchi": "InChI=1S/C12H5Cl5O/c13-6-3-5(1-2-9(6)18)10-7(14)4-8(15)11(16)12(10)17/h1-4,18H", "name": "4-Hydroxy-2',3,3',4',6'-pentachlorobiphenyl", "names": [ "2',3,3',4',6'-Pentachloro-4-biphenylol", "4-Hydroxy-2',3,3',4',6'-pentachlorobiphenyl" ] }, { "compound_id": "C14379", "inchi": "InChI=1S/C12H5Cl5O/c13-6-3-5(1-2-9(6)18)10-11(16)7(14)4-8(15)12(10)17/h1-4,18H", "name": "4-Hydroxy-2',3,3',5',6'-pentachlorobiphenyl", "names": [ "2',3,3',5',6'-Pentachloro-4-biphenylol", "4-Hydroxy-2',3,3',5',6'-pentachlorobiphenyl" ] }, { "compound_id": "C14380", "inchi": "InChI=1S/C12H6Cl4O/c13-7-4-9(15)12(10(16)5-7)6-1-2-11(17)8(14)3-6/h1-5,17H", "name": "4-Hydroxy-2',3,4',6'-tetrachlorobiphenyl", "names": [ "2',3,4',6'-Tetrachloro-4-biphenylol", "4-Hydroxy-2',3,4',6'-tetrachlorobiphenyl" ] }, { "compound_id": "C14381", "inchi": "InChI=1S/C12H5Cl5O/c13-7-2-1-5(3-8(7)14)6-4-9(15)12(18)11(17)10(6)16/h1-4,18H", "name": "4-Hydroxy-2,3,3',4',5-pentachlorobiphenyl", "names": [ "2,3,3',4',5-Pentachloro-4-biphenylol", "4-Hydroxy-2,3,3',4',5-pentachlorobiphenyl" ] }, { "compound_id": "C14382", "inchi": "InChI=1S/C12H3Cl7O/c13-4-2-6(15)5(14)1-3(4)7-8(16)10(18)12(20)11(19)9(7)17/h1-2,20H", "name": "4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl", "names": [ "2,2',3,4',5,5',6-Heptachloro-4-biphenylol", "4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl", "4-Hydroxy-PCB 187" ] }, { "compound_id": "C14383", "inchi": "InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1", "name": "16-Ketoestradiol", "names": [ "16-Ketoestradiol", "16-Oxo-17beta-estradiol" ] }, { "compound_id": "C14384", "inchi": "InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2", "name": "Benzo[b]fluorene", "names": [ "2,3-Benzofluorene", "Benzo[b]fluorene" ] }, { "compound_id": "C14385", "inchi": "InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3", "name": "2-Ethylphenol", "names": [ "2-Ethylphenol", "o-Ethylphenol" ] }, { "compound_id": "C14386", "inchi": "InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3", "name": "3-Ethylphenol", "names": [ "3-Ethylphenol" ] }, { "compound_id": "C14387", "inchi": "InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3", "name": "Phenothrin", "names": [ "Phenothrin", "Sumithrin" ] }, { "compound_id": "C14388", "inchi": "InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1", "name": "Permethrin", "names": [ "Permethrin" ] }, { "compound_id": "C14389", "inchi": "InChI=1S/C15H13Cl3O2/c1-20-13-8-4-11(5-9-13)14(15(16,17)18)10-2-6-12(19)7-3-10/h2-9,14,19H,1H3", "name": "1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane", "names": [ "1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane", "Monohydroxymethoxychlor" ] }, { "compound_id": "C14390", "inchi": "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3", "name": "Heptanal", "names": [ "Heptanal", "n-Heptaldehyde" ] }, { "compound_id": "C14391", "inchi": "InChI=1S/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3/b20-19+", "name": "Diethylstilbestrol dimethyl ether", "names": [ "(E)-1,1'-(1,2-Diethyl-1,2-ethenediyl)bis(4-methoxybenzene)", "Diethylstilbestrol dimethyl ether" ] }, { "compound_id": "C14392", "inchi": "InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1", "name": "Equilin", "names": [ "Equilin" ] }, { "compound_id": "C14393", "inchi": "InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2", "name": "Benzyl parahydroxybenzoate", "names": [ "Benzyl 4-hydroxybenzoate", "Benzyl parahydroxybenzoate", "Benzylparaben" ] }, { "compound_id": "C14394", "inchi": "InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3", "name": "4-Nitrotoluene", "names": [ "1-Methyl-4-nitrobenzene", "4-Nitrotoluene" ] }, { "compound_id": "C14395", "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3", "name": "alpha-Methylstyrene", "names": [ "1-Methyl-1-phenylethylene", "2-Phenylpropene", "alpha-Methylstyrene" ] }, { "compound_id": "C14396", "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3", "name": "Cumene", "names": [ "Cumene", "Isopropylbenzene" ] }, { "compound_id": "C14397", "inchi": "InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H", "name": "Dinitrochlorobenzene", "names": [ "1-Chloro-2,4-dinitrobenzene", "Dinitrochlorobenzene" ] }, { "compound_id": "C14398", "inchi": "InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)", "name": "Ethylenethiourea", "names": [ "2-Mercaptoimidazoline", "Ethylenethiourea" ] }, { "compound_id": "C14399", "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2", "name": "1,3-Dichloro-2-propanol", "names": [ "1,3-Dichloro-2-propanol" ] }, { "compound_id": "C14400", "inchi": "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2", "name": "1,2,3-Trichloropropane", "names": [ "1,2,3-Trichloropropane" ] }, { "compound_id": "C14401", "inchi": "InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3", "name": "2,4-Diaminotoluene", "names": [ "2,4-Diaminotoluene" ] }, { "compound_id": "C14402", "inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2", "name": "1,2-Diaminobenzene", "names": [ "1,2-Diaminobenzene", "2-Phenylene diamine", "o-Phenylenediamine" ] }, { "compound_id": "C14403", "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3", "name": "ortho-Toluidine", "names": [ "2-Aminotoluene", "o-Toluidine", "ortho-Toluidine" ] }, { "compound_id": "C14404", "inchi": "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)", "name": "2,4-DB", "names": [ "2,4-DB", "4-(2,4-Dichlorophenoxy)butyric acid" ] }, { "compound_id": "C14405", "inchi": "InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H", "name": "N-Phenyl-1-naphthylamine", "names": [ "N-Phenyl-1-naphthylamine" ] }, { "compound_id": "C14406", "inchi": "InChI=1S/C16H9NO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H", "name": "3-Nitrofluoranthene", "names": [ "3-Nitrofluoranthene" ] }, { "compound_id": "C14407", "inchi": "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H", "name": "2-Chloronitrobenzene", "names": [ "1-Chloro-2-nitrobenzene", "2-Chloronitrobenzene" ] }, { "compound_id": "C14408", "inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H", "name": "1,2,3-Trichlorobenzene", "names": [ "1,2,3-Trichlorobenzene" ] }, { "compound_id": "C14409", "inchi": "InChI=1S/C12H8O2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,13H", "name": "2-Hydroxydibenzofuran", "names": [ "2-Hydroxydibenzofuran", "Dibenzofuran-2-ol" ] }, { "compound_id": "C14410", "inchi": "InChI=1S/C17H22N2.ClH/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12H,13-15H2,1-2H3;1H", "name": "Phenbenzamine hydrochloride", "names": [ "Phenbenzamine hydrochloride" ] }, { "compound_id": "C14411", "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2", "name": "Dicyclopentadiene", "names": [ "Dicyclopentadiene" ] }, { "compound_id": "C14412", "inchi": "InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)", "name": "4-Toluenesulfonamide", "names": [ "4-Toluenesulfonamide" ] }, { "compound_id": "C14413", "inchi": "InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1", "name": "Triphenyltin chloride", "names": [ "Triphenyltin chloride" ] }, { "compound_id": "C14414", "inchi": "InChI=1S/C4H3NO3/c6-5(7)4-2-1-3-8-4/h1-3H", "name": "Nitrofuran", "names": [ "AI3-23606", "Nitrofuran" ] }, { "compound_id": "C14415", "inchi": "InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)", "name": "Thiourea", "names": [ "Thiourea" ] }, { "compound_id": "C14416", "inchi": "InChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14)", "name": "Trp-P-2", "names": [ "3-Amino-1-methyl-5H-pyrido[4,3-b]indole", "Trp-P-2" ] }, { "compound_id": "C14417", "inchi": "InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2", "name": "2-Anthramine", "names": [ "2-Aminoanthracene", "2-Anthramine" ] }, { "compound_id": "C14418", "inchi": "InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H", "name": "3-Nitrophenol", "names": [ "3-Nitrophenol", "m-Hydroxynitrobenzene" ] }, { "compound_id": "C14419", "inchi": "InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2", "name": "2,4-Dichloroaniline", "names": [ "2,4-DCA", "2,4-Dichloroaniline" ] }, { "compound_id": "C14420", "inchi": "InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3", "name": "Fenthion", "names": [ "4-Methylmercapto-3-methylphenyl dimethyl thiophosphate", "Fenthion", "MPP" ] }, { "compound_id": "C14421", "inchi": "InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H", "name": "1-Nitropyrene", "names": [ "1-Nitropyrene" ] }, { "compound_id": "C14422", "inchi": "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3", "name": "N-Nitrosodiethylamine", "names": [ "Diethylnitrosamine", "N-Nitrosodiethylamine", "NDEA" ] }, { "compound_id": "C14423", "inchi": "InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H", "name": "1,8-Dinitropyrene", "names": [ "1,8-Dinitropyrene" ] }, { "compound_id": "C14424", "inchi": "InChI=1S/C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H", "name": "1,6-Dinitropyrene", "names": [ "1,6-Dinitropyrene" ] }, { "compound_id": "C14425", "inchi": "InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)", "name": "Fenobucarb", "names": [ "2-sec-Butylphenyl N-methylcarbamate", "BPMC", "Fenobucarb" ] }, { "compound_id": "C14426", "inchi": "InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)", "name": "Acephate", "names": [ "Acephate", "O,S-Dimethylacetylphosphoroamidothioate" ] }, { "compound_id": "C14427", "inchi": "InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)", "name": "Diflubenzuron", "names": [ "Diflubenzuron", "N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide" ] }, { "compound_id": "C14428", "inchi": "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3", "name": "Thiobencarb", "names": [ "Benthiocarb", "S-4-Chlorobenzyl diethylthiocarbamate", "Thiobencarb" ] }, { "compound_id": "C14429", "inchi": "InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3", "name": "Phenthoate", "names": [ "Fenthoate", "Phenthoate" ] }, { "compound_id": "C14430", "inchi": "InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3", "name": "Dichlorvos", "names": [ "2,2-Dichloroethenyl dimethyl phosphate", "DDVP", "Dichlorvos" ] }, { "compound_id": "C14431", "inchi": "InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3", "name": "Methidathion", "names": [ "Methidathion" ] }, { "compound_id": "C14432", "inchi": "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)", "name": "Thiophanate-methyl", "names": [ "1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene", "Thiophanate-methyl" ] }, { "compound_id": "C14433", "inchi": "InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)", "name": "Bendiocarb", "names": [ "2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate", "Bendiocarb" ] }, { "compound_id": "C14434", "inchi": "InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3", "name": "EPN", "names": [ "EPN", "O-Ethyl O-p-nitrophenyl phenylphosphonothioate" ] }, { "compound_id": "C14435", "inchi": "InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H", "name": "Benzo[e]pyrene", "names": [ "1,2-Benzpyrene", "Benzo[e]pyrene" ] }, { "compound_id": "C14436", "inchi": "InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3", "name": "Edifenphos", "names": [ "EDDP", "Edifenphos", "O-Ethyl-S,S-diphenyl dithiophosphate" ] }, { "compound_id": "C14437", "inchi": "InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)", "name": "2-Mercaptobenzothiazole", "names": [ "2-Mercaptobenzothiazole", "Captax" ] }, { "compound_id": "C14438", "inchi": "InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2", "name": "Captan", "names": [ "Captan" ] }, { "compound_id": "C14439", "inchi": "InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3", "name": "Tributyl phosphate", "names": [ "TBP", "Tributyl phosphate" ] }, { "compound_id": "C14440", "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2", "name": "1,4-Dioxane", "names": [ "1,4-Dioxane", "p-Dioxane" ] }, { "compound_id": "C14441", "inchi": "InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1", "name": "16-Ketoestrone", "names": [ "16-Ketoestrone", "3-Hydroxy-1,3,5(10)-estratriene-16,17-dione" ] }, { "compound_id": "C14442", "inchi": "InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3", "name": "Fenitrothion", "names": [ "Fenitrothion", "MEP", "O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate" ] }, { "compound_id": "C14443", "inchi": "InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3", "name": "3,3'-Dimethylbenzidine", "names": [ "3,3'-Dimethyl-4,4'-diaminobiphenyl", "3,3'-Dimethylbenzidine", "o-Tolidine" ] }, { "compound_id": "C14444", "inchi": "InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2", "name": "2-Aminoanthraquinone", "names": [ "2-Aminoanthraquinone" ] }, { "compound_id": "C14445", "inchi": "InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2", "name": "Tris(2-chloroethyl)phosphate", "names": [ "Tris(2-chloroethyl)phosphate" ] }, { "compound_id": "C14446", "inchi": "InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3", "name": "Tris(butoxyethyl)phosphate", "names": [ "Tris(2-butoxyethyl) phosphate", "Tris(butoxyethyl)phosphate" ] }, { "compound_id": "C14447", "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3", "name": "2-Methylpyridine", "names": [ "2-Methylpyridine", "2-Picoline" ] }, { "compound_id": "C14448", "inchi": "InChI=1S/C2H2O2/c3-1-2-4/h1-2H", "name": "Glyoxal", "names": [ "1,2-Ethanedione", "Glyoxal", "Oxalaldehyde" ] }, { "compound_id": "C14449", "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2", "name": "Epichlorohydrin", "names": [ "1-Chloro-2,3-epoxypropane", "Epichlorohydrin" ] }, { "compound_id": "C14450", "inchi": "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2", "name": "4-Chloroaniline", "names": [ "1-Amino-4-chlorobenzene", "4-Chloroaniline" ] }, { "compound_id": "C14451", "inchi": "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3", "name": "4-Chlorotoluene", "names": [ "4-Chlorotoluene" ] }, { "compound_id": "C14452", "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2", "name": "Morpholine", "names": [ "Morpholine", "Tetrahydro-1,4-oxazine" ] }, { "compound_id": "C14453", "inchi": "InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H", "name": "4-Bromophenol", "names": [ "4-Bromophenol" ] }, { "compound_id": "C14454", "inchi": "InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H", "name": "2,4,6-Tribromophenol", "names": [ "2,4,6-Tribromophenol" ] }, { "compound_id": "C14455", "inchi": "InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3", "name": "N-Ethylaniline", "names": [ "N-Ethylaniline", "N-Ethylbenzenamine" ] }, { "compound_id": "C14456", "inchi": "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H", "name": "4-Chloronitrobenzene", "names": [ "1-Chloro-4-nitrobenzene", "4-Chloronitrobenzene" ] }, { "compound_id": "C14457", "inchi": "InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)", "name": "Simetryn", "names": [ "2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine", "Simetryn" ] }, { "compound_id": "C14458", "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2", "name": "Dihydrogenistein", "names": [ "4',5,7-Trihydroxyisoflavan-4-one", "Dihydrogenistein" ] }, { "compound_id": "C14459", "inchi": "InChI=1S/C20H12O/c21-16-10-14-6-5-13-9-12-3-1-2-4-17(12)18-8-7-15(11-16)19(14)20(13)18/h1-11,21H", "name": "2-Hydroxybenzo[a]pyrene", "names": [ "2-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14460", "inchi": "InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2", "name": "2-Hydroxyfluorene", "names": [ "2-Hydroxyfluorene", "Fluoren-2-ol" ] }, { "compound_id": "C14461", "inchi": "InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H", "name": "3-Hydroxybenzo[a]pyrene", "names": [ "3-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14462", "inchi": "InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H", "name": "3,4-Dichlorophenol", "names": [ "3,4-Dichlorophenol" ] }, { "compound_id": "C14463", "inchi": "InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m1/s1", "name": "(R)-3-Hydroxy-3-methyl-2-oxopentanoate", "names": [ "(R)-3-Hydroxy-3-methyl-2-oxopentanoate" ] }, { "compound_id": "C14464", "inchi": "InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3", "name": "4-n-Butylphenol", "names": [ "4-n-Butylphenol", "p-Hydroxybutylbenzene" ] }, { "compound_id": "C14465", "inchi": "InChI=1S/C12H18O/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10,13H,2-6H2,1H3", "name": "4-n-Hexylphenol", "names": [ "4-n-Hexylphenol" ] }, { "compound_id": "C14466", "inchi": "InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3", "name": "4-n-Pentylphenol", "names": [ "4-n-Pentylphenol", "p-Amylphenol" ] }, { "compound_id": "C14467", "inchi": "InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+", "name": "cis-1,2-Diphenylcyclobutane", "names": [ "cis-1,2-Diphenylcyclobutane" ] }, { "compound_id": "C14468", "inchi": "InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3", "name": "Diisopropyl phthalate", "names": [ "Diisopropyl phthalate" ] }, { "compound_id": "C14469", "inchi": "InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3", "name": "Di-n-propylphthalate", "names": [ "Di-n-propylphthalate", "Dipropyl phthalate" ] }, { "compound_id": "C14470", "inchi": "InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3", "name": "3-Methylcholanthrene", "names": [ "3-Methylcholanthrene" ] }, { "compound_id": "C14471", "inchi": "InChI=1S/C12H5Cl5O/c13-7-3-10(16)9(15)1-5(7)6-2-11(17)12(18)4-8(6)14/h1-4,18H", "name": "4-Hydroxy-2,2',4',5,5'-pentachlorobiphenyl", "names": [ "2,2',4',5,5'-Pentachloro-4-biphenylol", "4-Hydroxy-2,2',4',5,5'-pentachlorobiphenyl" ] }, { "compound_id": "C14472", "inchi": "InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3", "name": "4',5,6,7-Tetramethoxyflavone", "names": [ "4',5,6,7-Tetramethoxyflavone", "Tetra-O-methylscutellarein" ] }, { "compound_id": "C14473", "inchi": "InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)", "name": "1(2H)-Phthalazinone", "names": [ "1(2H)-Phthalazinone", "Phthalazin-1-one" ] }, { "compound_id": "C14474", "inchi": "InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3", "name": "Benzarone", "names": [ "2-Ethyl-3-(4-hydroxybenzoyl)benzofuran", "Benzarone" ] }, { "compound_id": "C14475", "inchi": "InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16+,17+,18-,19+,20+,21+/m1/s1", "name": "Bolasterone", "names": [ "17beta-Hydroxy-7alpha,17-dimethylandrost-4-en-3-one", "7alpha,17alpha-Dimethyltestosterone", "Bolasterone", "U19763" ] }, { "compound_id": "C14476", "inchi": "InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3", "name": "Xanthomicrol", "names": [ "4',5-Dihydroxy-6,7,8-trimethoxyflavone", "Xanthomicrol" ] }, { "compound_id": "C14477", "inchi": "InChI=1S/C21H32F2O2/c1-13(24)25-18-7-6-16-15-5-4-14-12-21(22,23)11-10-19(14,2)17(15)8-9-20(16,18)3/h14-18H,4-12H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1", "name": "3,3-Difluoro-5alpha-androstan-17beta-yl acetate", "names": [ "3,3-Difluoro-5alpha-androstan-17beta-yl acetate", "3,3-Difluoroandrostane-17-ol acetate" ] }, { "compound_id": "C14478", "inchi": "InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1", "name": "21-Deoxycortisone", "names": [ "17alpha-Hydroxypregn-4-ene-3,11,20-trione", "21-Deoxycortisone" ] }, { "compound_id": "C14479", "inchi": "InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1", "name": "Flumethasone", "names": [ "6alpha,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione", "Flumethasone" ] }, { "compound_id": "C14480", "inchi": "InChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H,7,9,10)", "name": "5-Diazouracil", "names": [ "2,6-Dioxo-5-diazopyrimidine", "5-Diazouracil" ] }, { "compound_id": "C14481", "inchi": "InChI=1S/C15H13NO2/c1-9(17)16-14-7-6-12-11-5-3-2-4-10(11)8-13(12)15(14)18/h2-7,18H,8H2,1H3,(H,16,17)", "name": "1-Hydroxy-2-acetamidofluorene", "names": [ "1-Hydroxy-2-acetamidofluorene", "1-Hydroxy-N-2-fluorenylacetamide", "N-(1-Hydroxyfluoren-2-yl)-acetamide" ] }, { "compound_id": "C14482", "inchi": "InChI=1S/C21H34O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h5,14,16-19,22H,4,6-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,21-/m0/s1", "name": "3beta-Hydroxypregn-5-ene", "names": [ "3beta-Hydroxypregn-5-ene", "5-Pregnen-3beta-ol" ] }, { "compound_id": "C14483", "inchi": "InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1", "name": "17alpha-Methylestradiol", "names": [ "17alpha-Methylestradiol" ] }, { "compound_id": "C14484", "inchi": "InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1", "name": "9-Fluoroprednisolone", "names": [ "9-Fluoroprednisolone", "Isoflupredone" ] }, { "compound_id": "C14485", "inchi": "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1", "name": "17beta-Dihydroequilin", "names": [ "17beta-Dihydroequilin" ] }, { "compound_id": "C14486", "inchi": "InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1", "name": "Norethindrone enanthate", "names": [ "17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one", "Norethindrone enanthate", "Norethisterone enanthate" ] }, { "compound_id": "C14487", "inchi": "InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1", "name": "Ethisterone", "names": [ "17alpha-Ethinyl testosterone", "17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one", "Ethisterone", "Progestolets" ] }, { "compound_id": "C14488", "inchi": "InChI=1S/C21H29FO2/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1", "name": "21-Fluoroprogesterone", "names": [ "21-Fluoropregn-4-ene-3,20-dione", "21-Fluoroprogesterone" ] }, { "compound_id": "C14489", "inchi": "InChI=1S/C20H28O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3/t15-,16+,17+,18+,19-,20+/m0/s1", "name": "19-Norprogesterone", "names": [ "19-Norpregn-4-ene-3,20-dione", "19-Norprogesterone" ] }, { "compound_id": "C14490", "inchi": "InChI=1S/C20H30O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h11,13-16,18,22H,4-10H2,1-3H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1", "name": "Stenbolone", "names": [ "17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one", "Stenbolone" ] }, { "compound_id": "C14491", "inchi": "InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1", "name": "Normethandrolone", "names": [ "17alpha-Methyl-19-nortestosterone", "Methylestrenolone", "Normethandrolone", "Normethandrone" ] }, { "compound_id": "C14492", "inchi": "InChI=1S/C16H16FN3O3S/c1-8-20-11-7-12(19-4-2-18-3-5-19)10(17)6-9(11)14(21)13(16(22)23)15(20)24-8/h6-8,18H,2-5H2,1H3,(H,22,23)", "name": "Ulifloxacin", "names": [ "NM 394", "Ulifloxacin" ] }, { "compound_id": "C14493", "inchi": "InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1", "name": "Methandriol", "names": [ "Methandriol", "Protandren" ] }, { "compound_id": "C14494", "inchi": "InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)", "name": "4-Chloroacetanilide", "names": [ "4-Chloroacetanilide" ] }, { "compound_id": "C14495", "inchi": "InChI=1S/C31H50O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h19,21-22,25-26,32H,3,9-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1", "name": "Eburicoic acid", "names": [ "Eburicoic acid" ] }, { "compound_id": "C14496", "inchi": "InChI=1S/C18H22O3/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21-18/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1", "name": "Estrololactone", "names": [ "3-Hydroxy-D-homo-17a-oxaestra-1,3,5(10)-trien-17-one", "Estrololactone" ] }, { "compound_id": "C14497", "inchi": "InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1", "name": "6beta-Hydroxytestosterone", "names": [ "6beta,17beta-Dihydroxyandrost-4-en-3-one", "6beta-Hydroxytestosterone" ] }, { "compound_id": "C14498", "inchi": "InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17+,18-/m0/s1", "name": "17alpha-Dihydroequilenin", "names": [ "17alpha-Dihydroequilenin" ] }, { "compound_id": "C14499", "inchi": "InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3", "name": "1,2-Epoxyhexadecane", "names": [ "1,2-Epoxyhexadecane" ] }, { "compound_id": "C14500", "inchi": "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1", "name": "19-Norandrostenedione", "names": [ "19-Norandrostenedione", "delta4-Estrene-3,17-dione" ] }, { "compound_id": "C14501", "inchi": "InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H", "name": "N,N'-Diphenyl-p-phenylenediamine", "names": [ "DPPD", "N,N'-Diphenyl-p-phenylenediamine" ] }, { "compound_id": "C14502", "inchi": "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1", "name": "Boldenone", "names": [ "17beta-Boldenone", "Boldenone" ] }, { "compound_id": "C14503", "inchi": "InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1", "name": "16-Dehydropregnenolone acetate", "names": [ "16-Dehydropregnenolone acetate", "3beta-Acetyloxy-pregna-5,16-dien-20-one" ] }, { "compound_id": "C14504", "inchi": "InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3", "name": "Di-n-hexyl phthalate", "names": [ "Di-n-hexyl phthalate", "Dihexyl 1,2-benzenedicarboxylate", "Dihexyl phthalate" ] }, { "compound_id": "C14505", "inchi": "InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3", "name": "Di-n-decyl phthalate", "names": [ "Di-n-decyl phthalate", "Didecyl 1,2-Benzenedicarboxylate", "Didecyl phthalate" ] }, { "compound_id": "C14506", "inchi": "InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)", "name": "Chlorpropham", "names": [ "Chloropropham", "Chlorpropham", "N-3-Chlorophenylisopropylcarbamate" ] }, { "compound_id": "C14507", "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H", "name": "Diphenyl carbonate", "names": [ "Diphenyl carbonate" ] }, { "compound_id": "C14508", "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3", "name": "Mesitylene", "names": [ "1,3,5-Trimethylbenzene", "Mesitylene" ] }, { "compound_id": "C14509", "inchi": "InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3", "name": "1-Tridecanol", "names": [ "1-Tridecanol", "Tridecyl alcohol" ] }, { "compound_id": "C14510", "inchi": "InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3", "name": "Fensulfothion", "names": [ "Fensulfothion" ] }, { "compound_id": "C14511", "inchi": "InChI=1S/C29H36O8/c1-19(2)27(32)36-17-23(30)15-34-25-11-7-21(8-12-25)29(5,6)22-9-13-26(14-10-22)35-16-24(31)18-37-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3", "name": "Bisphenol A glycidylmethacrylate", "names": [ "2,2-Bis[4-(2-hydroxy-3-methacryloxypropoxy)phenyl]propane", "Bis-GMA", "Bisphenol A diglycidyl methacrylate", "Bisphenol A glycidylmethacrylate" ] }, { "compound_id": "C14512", "inchi": "InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H", "name": "Benzofuran", "names": [ "Benzofuran" ] }, { "compound_id": "C14513", "inchi": "InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-", "name": "Tetrachlorvinphos", "names": [ "2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate", "Tetrachlorvinphos" ] }, { "compound_id": "C14514", "inchi": "InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3", "name": "Chinomethionat", "names": [ "6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate", "Chinomethionat", "Quinomethionate" ] }, { "compound_id": "C14515", "inchi": "InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3", "name": "Camphorquinone", "names": [ "Camphorquinone" ] }, { "compound_id": "C14516", "inchi": "InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2", "name": "Kojic acid", "names": [ "5-Hydroxy-2-(hydroxymethyl)-4-pyrone", "Kojic acid" ] }, { "compound_id": "C14517", "inchi": "InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3", "name": "Pretilachlor", "names": [ "Pretilachlor" ] }, { "compound_id": "C14518", "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3", "name": "1,2,3-Trimethylbenzene", "names": [ "1,2,3-Trimethylbenzene", "Hemimellitene" ] }, { "compound_id": "C14519", "inchi": "InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H", "name": "1-Hydroxypyrene", "names": [ "1-Hydroxypyrene" ] }, { "compound_id": "C14520", "inchi": "InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3", "name": "Chlorpyrifos-methyl", "names": [ "Chloropyriphos-methyl", "Chlorpyrifos-methyl" ] }, { "compound_id": "C14521", "inchi": "InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H", "name": "2,4-Dibromophenol", "names": [ "2,4-Dibromophenol" ] }, { "compound_id": "C14522", "inchi": "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3", "name": "3-Ethyltoluene", "names": [ "1-Methyl-3-ethylbenzene", "3-Ethyltoluene" ] }, { "compound_id": "C14523", "inchi": "InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3", "name": "Diisopropyl adipate", "names": [ "Diisopropyl adipate" ] }, { "compound_id": "C14524", "inchi": "InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3", "name": "Flucythrinate", "names": [ "Flucythrinate" ] }, { "compound_id": "C14525", "inchi": "InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3", "name": "Mefenacet", "names": [ "2-(1,3-Benzothiazol-2-yloxy)-N-methylacetanilide", "Mefenacet" ] }, { "compound_id": "C14526", "inchi": "InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3", "name": "Esprocarb", "names": [ "Esprocarb" ] }, { "compound_id": "C14527", "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3", "name": "Methyl methacrylate", "names": [ "MMA", "Methyl 2-methylpropenoate", "Methyl methacrylate" ] }, { "compound_id": "C14528", "inchi": "InChI=1S/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3", "name": "Tetrachlorobisphenol A", "names": [ "2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane", "3,3',5,5'-Tetrachlorobisphenol A", "Tetrachlorobisphenol A", "Tetrachlorodian" ] }, { "compound_id": "C14529", "inchi": "InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2", "name": "Dicyclohexyl phthalate", "names": [ "Dicyclohexyl phthalate" ] }, { "compound_id": "C14530", "inchi": "InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3", "name": "2-Hydroxyethyl methacrylate", "names": [ "2-Hydroxyethyl methacrylate", "HEMA" ] }, { "compound_id": "C14531", "inchi": "InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)", "name": "Azomycin", "names": [ "Azomycin" ] }, { "compound_id": "C14532", "inchi": "InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)", "name": "Fenoprop", "names": [ "2,4,5-TP", "2-(2,4,5-Trichlorophenoxy)propionic acid", "Fenoprop", "Silvex" ] }, { "compound_id": "C14533", "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3", "name": "1,2,4-Trimethylbenzene", "names": [ "1,2,4-Trimethylbenzene", "Pseudocumene" ] }, { "compound_id": "C14534", "inchi": "InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3", "name": "1,2,4,5-Tetramethylbenzene", "names": [ "1,2,4,5-Tetramethylbenzene", "Durene" ] }, { "compound_id": "C14535", "inchi": "InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)", "name": "4-t-Butylbenzoic acid", "names": [ "4-t-Butylbenzoic acid", "p-tert-Butylbenzoic acid" ] }, { "compound_id": "C14536", "inchi": "InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3", "name": "Glycitein", "names": [ "7,4'-Dihydroxy-6-methoxyisoflavone", "Glycitein" ] }, { "compound_id": "C14537", "inchi": "InChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3", "name": "Trimethylolpropane triacrylate", "names": [ "2-Ethyl-2-(hydroxymethyl)-1,3-propanediol triacrylate", "TMPTA", "Trimethylolpropane triacrylate" ] }, { "compound_id": "C14538", "inchi": "InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3", "name": "Trimethylolpropane trimethacrylate", "names": [ "2-Ethyl-2(hydroxymethyl)-1,3-propanediol trimethacrylate", "TMPT", "Trimethylolpropane trimethacrylate" ] }, { "compound_id": "C14539", "inchi": "InChI=1S/C50H62N4O13/c1-11-16-53-17-19-54(20-18-53)31-22-32(56)38-34(23-31)66-47-39(51-38)35-36-43(59)29(7)46-37(35)48(61)50(9,67-46)64-21-15-33(63-10)26(4)45(65-30(8)55)28(6)42(58)27(5)41(57)24(2)13-12-14-25(3)49(62)52-40(47)44(36)60/h12-15,21-24,26-28,33,41-42,45,56-59H,11,16-20H2,1-10H3,(H,52,62)/b13-12+,21-15+,25-14-/t24-,26+,27+,28+,33-,41-,42+,45+,50-/m0/s1", "name": "Krm 1657", "names": [ "Krm 1657" ] }, { "compound_id": "C14540", "inchi": "InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1", "name": "Rifamycin S", "names": [ "Rifamycin S" ] }, { "compound_id": "C14541", "inchi": "InChI=1S/C18H18O/c1-3-15-16-10-9-14(19)11-17(16)12(2)18(15)13-7-5-4-6-8-13/h4-12,19H,3H2,1-2H3/t12-/m1/s1", "name": "(R)-4'-Deoxyindenestrol", "names": [ "(R)-4'-Deoxyindenestrol" ] }, { "compound_id": "C14542", "inchi": "InChI=1S/C18H18O/c1-3-15-16-10-9-14(19)11-17(16)12(2)18(15)13-7-5-4-6-8-13/h4-12,19H,3H2,1-2H3/t12-/m0/s1", "name": "(S)-4'-Deoxyindenestrol", "names": [ "(S)-4'-Deoxyindenestrol" ] }, { "compound_id": "C14543", "inchi": "InChI=1S/C18H18O/c1-3-15-17-7-5-4-6-16(17)12(2)18(15)13-8-10-14(19)11-9-13/h4-12,19H,3H2,1-2H3/t12-/m1/s1", "name": "(R)-5-Deoxyindenestrol", "names": [ "(R)-5-Deoxyindenestrol" ] }, { "compound_id": "C14544", "inchi": "InChI=1S/C18H18O/c1-3-15-17-7-5-4-6-16(17)12(2)18(15)13-8-10-14(19)11-9-13/h4-12,19H,3H2,1-2H3/t12-/m0/s1", "name": "(S)-5-Deoxyindenestrol", "names": [ "(S)-5-Deoxyindenestrol" ] }, { "compound_id": "C14545", "inchi": "InChI=1S/C18H18O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-11,19-20H,3H2,1-2H3/t11-/m0/s1", "name": "(S)-Indenestrol A", "names": [ "(S)-Indenestrol A" ] }, { "compound_id": "C14546", "inchi": "InChI=1S/C18H18O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-11,19-20H,3H2,1-2H3/t11-/m1/s1", "name": "(R)-Indenestrol A", "names": [ "(R)-Indenestrol A" ] }, { "compound_id": "C14547", "inchi": "InChI=1S/C18H18O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-10,15,19-20H,3H2,1-2H3/t15-/m0/s1", "name": "(S)-Indenestrol B", "names": [ "(S)-Indenestrol B" ] }, { "compound_id": "C14548", "inchi": "InChI=1S/C18H18O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-10,15,19-20H,3H2,1-2H3/t15-/m1/s1", "name": "(R)-Indenestrol B", "names": [ "(R)-Indenestrol B" ] }, { "compound_id": "C14549", "inchi": "InChI=1S/C18H16OSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H", "name": "Triphenylsilanol", "names": [ "Triphenylhydroxysilane", "Triphenylsilanol" ] }, { "compound_id": "C14550", "inchi": "InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3", "name": "4-n-Nonylphenol", "names": [ "4-Nonylphenol", "4-n-Nonylphenol", "p-Nonylphenol" ] }, { "compound_id": "C14551", "inchi": "InChI=1S/C19H22O2/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,20H,4-5H2,1-3H3/b19-18+", "name": "Diethylstilbestrol monomethyl ether", "names": [ "Diethylstilbestrol monomethyl ether", "Mestilbol" ] }, { "compound_id": "C14552", "inchi": "InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1", "name": "11-Ketoetiocholanolone", "names": [ "11-Ketoetiocholanolone", "3alpha-Hydroxy-5beta-androstane-11,17-dione" ] }, { "compound_id": "C14553", "inchi": "InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13+,14+,15+,17-,18+,19+/m1/s1", "name": "3alpha,11beta-Dihydroxy-5beta-androstane-17-one", "names": [ "11beta-Hydroxyetiocholanolone", "3alpha,11beta-Dihydroxy-5beta-androstane-17-one" ] }, { "compound_id": "C14554", "inchi": "InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1", "name": "Deoxycorticosterone acetate", "names": [ "21-Acetoxypregn-4-ene-3,20-dione", "Deoxycorticosterone acetate", "Percotol" ] }, { "compound_id": "C14555", "inchi": "InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1", "name": "11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one", "names": [ "11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one", "11alpha-Hydroxy-17alpha-methyltestosterone" ] }, { "compound_id": "C14556", "inchi": "InChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H", "name": "9-Hydroxybenzo[a]pyrene", "names": [ "9-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14557", "inchi": "InChI=1S/C20H12O/c21-16-7-9-17-15(11-16)10-14-5-4-12-2-1-3-13-6-8-18(17)20(14)19(12)13/h1-11,21H", "name": "8-Hydroxybenzo[a]pyrene", "names": [ "8-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14558", "inchi": "InChI=1S/C20H12O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11,21H", "name": "7-Hydroxybenzo[a]pyrene", "names": [ "7-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14559", "inchi": "InChI=1S/C20H12O/c21-18-11-14-6-3-5-12-8-9-16-15-7-2-1-4-13(15)10-17(18)20(16)19(12)14/h1-11,21H", "name": "5-Hydroxybenzo[a]pyrene", "names": [ "5-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14560", "inchi": "InChI=1S/C20H12O/c21-18-11-14-10-13-4-1-2-6-15(13)16-9-8-12-5-3-7-17(18)19(12)20(14)16/h1-11,21H", "name": "4-Hydroxybenzo[a]pyrene", "names": [ "4-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14561", "inchi": "InChI=1S/C24H24/c1-20(22-13-7-3-8-14-22)19-24(23-15-9-4-10-16-23)18-17-21-11-5-2-6-12-21/h2-16,24H,1,17-19H2", "name": "2,4,6-Triphenyl-1-hexene", "names": [ "2,4,6-Triphenyl-1-hexene" ] }, { "compound_id": "C14562", "inchi": "InChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11H,1,12-13H2", "name": "2,4-Diphenyl-1-butene", "names": [ "2,4-Diphenyl-1-butene" ] }, { "compound_id": "C14563", "inchi": "InChI=1S/C20H12O/c21-18-11-17-15-6-2-1-4-13(15)10-14-9-8-12-5-3-7-16(18)19(12)20(14)17/h1-11,21H", "name": "12-Hydroxybenzo[a]pyrene", "names": [ "12-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14564", "inchi": "InChI=1S/C20H12O/c21-17-11-14-6-3-5-12-8-9-15-10-13-4-1-2-7-16(13)20(17)19(15)18(12)14/h1-11,21H", "name": "11-Hydroxybenzo[a]pyrene", "names": [ "11-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14565", "inchi": "InChI=1S/C20H12O/c21-17-6-2-5-14-11-15-8-7-12-3-1-4-13-9-10-16(19(14)17)20(15)18(12)13/h1-11,21H", "name": "10-Hydroxybenzo[a]pyrene", "names": [ "10-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14566", "inchi": "InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3", "name": "Diethyl adipate", "names": [ "Diethyl adipate", "Diethyl hexanedioate" ] }, { "compound_id": "C14567", "inchi": "InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3", "name": "Acetyleugenol", "names": [ "Acetyleugenol" ] }, { "compound_id": "C14568", "inchi": "InChI=1S/C15H22BrNO/c1-14(2,3)12(16)13(18)17-15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,17,18)", "name": "Bromobutide", "names": [ "(RS)-2-Bromo-N-(alpha,alpha-dimethylbenzyl)-3,3-dimethylbutyramide", "2-Bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)butanamide", "Bromobutide", "Sumiherb" ] }, { "compound_id": "C14569", "inchi": "InChI=1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H", "name": "4,4'-Biphenyldithiol", "names": [ "4,4'-Biphenyldithiol", "4,4'-Dimercaptobiphenyl", "4,4'-Thiobiphenyl" ] }, { "compound_id": "C14570", "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3", "name": "Dimethyl adipate", "names": [ "Dimethyl adipate", "Dimethyl hexanedioate" ] }, { "compound_id": "C14571", "inchi": "InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3", "name": "Dimepiperate", "names": [ "Dimepiperate", "S-1-Methyl-1-phenylethyl piperidine 1-carbothioate" ] }, { "compound_id": "C14572", "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3", "name": "2-Ethyltoluene", "names": [ "1-Ethyl-2-methylbenzene", "2-Ethyltoluene", "o-Methylethylbenzene" ] }, { "compound_id": "C14573", "inchi": "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H", "name": "3,3',4,4',5-Pentachlorobiphenyl", "names": [ "3,3',4,4',5-Pentachlorobiphenyl", "PCB 126" ] }, { "compound_id": "C14574", "inchi": "InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3", "name": "Chlorobenzilate", "names": [ "Chlorobenzilate", "Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate", "Ethyl-4,4'-dichlorobenzilate" ] }, { "compound_id": "C14575", "inchi": "InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3", "name": "Di-n-heptyl phthalate", "names": [ "Di-n-heptyl phthalate" ] }, { "compound_id": "C14576", "inchi": "InChI=1S/C20H12O/c21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11,21H", "name": "6-Hydroxybenzo[a]pyrene", "names": [ "6-Hydroxybenzo[a]pyrene" ] }, { "compound_id": "C14577", "inchi": "InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3", "name": "Diisooctyl phthalate", "names": [ "Diisooctyl phthalate" ] }, { "compound_id": "C14578", "inchi": "InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3", "name": "Diisodecyl phthalate", "names": [ "Diisodecyl phthalate" ] }, { "compound_id": "C14579", "inchi": "InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)", "name": "Xylylcarb", "names": [ "3,4-Dimethylphenyl methylcarbamate", "Meobal", "Xylylcarb" ] }, { "compound_id": "C14580", "inchi": "InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3", "name": "Isoxathion", "names": [ "Isoxathion", "Karphos" ] }, { "compound_id": "C14581", "inchi": "InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2", "name": "1,3-Diphenylpropane", "names": [ "1,3-Diphenylpropane" ] }, { "compound_id": "C14582", "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3", "name": "2,4-Dimethylphenol", "names": [ "1-Hydroxy-2,4-dimethylbenzene", "2,4-Dimethylphenol" ] }, { "compound_id": "C14583", "inchi": "InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3", "name": "1,4-Diethylbenzene", "names": [ "1,4-Diethylbenzene", "p-Diethylbenzene" ] }, { "compound_id": "C14584", "inchi": "InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2", "name": "Chlorobenside", "names": [ "4-Chlorobenzyl 4-chlorophenyl sulfide", "Chlorobenside" ] }, { "compound_id": "C14585", "inchi": "InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+", "name": "4-Chlorochalcone", "names": [ "3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one", "4-Chlorochalcone" ] }, { "compound_id": "C14586", "inchi": "InChI=1S/C22H32O2/c1-13-11-16-18-6-5-17(14(2)23)21(18,3)10-8-19(16)22(4)9-7-15(24)12-20(13)22/h12-13,16-19H,5-11H2,1-4H3/t13-,16-,17+,18-,19-,21+,22+/m0/s1", "name": "6alpha-Methylprogesterone", "names": [ "6alpha-Methylpregn-4-ene-3,20-dione", "6alpha-Methylprogesterone" ] }, { "compound_id": "C14587", "inchi": "InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15+,17+,18-,19-/m0/s1", "name": "11alpha-Hydroxyandrosta-1,4-diene-3,17-dione", "names": [ "11alpha-Hydroxyandrosta-1,4-diene-3,17-dione" ] }, { "compound_id": "C14588", "inchi": "InChI=1S/C20H30O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16+,17+,18+,19+,20+/m1/s1", "name": "17beta-Hydroxy-7alpha-methylandrost-4-en-3-one", "names": [ "17beta-Hydroxy-7alpha-methylandrost-4-en-3-one", "7alpha-Methyltestosterone" ] }, { "compound_id": "C14589", "inchi": "InChI=1S/C14H12N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2", "name": "1,2-Bis(4-nitrophenyl)ethane", "names": [ "1,2-Bis(4-nitrophenyl)ethane", "4,4'-Dinitrodibenzyl" ] }, { "compound_id": "C14590", "inchi": "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1", "name": "Estra-1,3,5(10),6-tetraen-3,17beta-diol", "names": [ "6-Dehydroestradiol", "Estra-1,3,5(10),6-tetraen-3,17beta-diol" ] }, { "compound_id": "C14591", "inchi": "InChI=1S/C13H9NO/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-9H", "name": "4-(2-Benzofuranyl)pyridine", "names": [ "4-(2-Benzofuranyl)pyridine", "Pyridarone" ] }, { "compound_id": "C14592", "inchi": "InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)", "name": "N-Methyl-N'-nitro-N-nitrosoguanidine", "names": [ "1-Methyl-3-nitro-1-nitrosoguanidine", "MNNG", "Methylnitronitrosoguanidine", "N-Methyl-N'-nitro-N-nitrosoguanidine" ] }, { "compound_id": "C14593", "inchi": "InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18-,19+/m1/s1", "name": "Epimestrol", "names": [ "3-Methoxy-17-epiestriol", "3-Methoxyestra-1,3,5(10)-triene-16alpha,17alpha-diol", "Epimestrol" ] }, { "compound_id": "C14594", "inchi": "InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1", "name": "3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one", "names": [ "3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one", "Tetrahydro-11-deoxycortisol" ] }, { "compound_id": "C14595", "inchi": "InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)", "name": "Methylnitrosourea", "names": [ "Methylnitrosourea", "N-Methyl-N-nitrosourea", "NMH" ] }, { "compound_id": "C14596", "inchi": "InChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-17-13-24(14-18-26)27(29,23-9-7-6-8-10-23)21-22-11-15-25(30-3)16-12-22/h6-18,29H,4-5,19-21H2,1-3H3", "name": "Ethamoxytriphetol", "names": [ "4-Methoxy-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha-phenylbenzeneethanol", "Ethamoxytriphetol" ] }, { "compound_id": "C14597", "inchi": "InChI=1S/C17H15NO2/c1-19-16-7-3-13(4-8-16)11-15(12-18)14-5-9-17(20-2)10-6-14/h3-11H,1-2H3/b15-11+", "name": "2,3-Bis(p-methoxyphenyl)acrylonitrile", "names": [ "2,3-Bis(p-methoxyphenyl)acrylonitrile", "2,3-Di(4-methoxyphenyl)acrylonitrile" ] }, { "compound_id": "C14598", "inchi": "InChI=1S/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15+,16+,18-,19+,20+,21+/m1/s1", "name": "3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione", "names": [ "17alpha-Hydroxy-11-ketopregnanolone", "3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione" ] }, { "compound_id": "C14599", "inchi": "InChI=1S/C21H15N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H", "name": "2,3,3-Triphenylacrylonitrile", "names": [ "2,3,3-Triphenylacrylonitrile", "Triphenylcyanoethylene" ] }, { "compound_id": "C14600", "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17+,18+,19+/m1/s1", "name": "16alpha-Hydroxytestosterone", "names": [ "16alpha,17beta-Dihydroxy-4-androsten-3-one", "16alpha-Hydroxytestosterone" ] }, { "compound_id": "C14601", "inchi": "InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3", "name": "Methyl methoxyacetate", "names": [ "Methyl methoxyacetate" ] }, { "compound_id": "C14602", "inchi": "InChI=1S/C6H7NO2/c8-6-3-1-2-5(4-6)7-9/h1-4,7-9H", "name": "3-Hydroxyaminophenol", "names": [ "3-Hydroxyaminophenol", "3-Hydroxylaminophenol" ] }, { "compound_id": "C14603", "inchi": "InChI=1S/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3/t20-,21+,22+,23-,24-,26-/m0/s1", "name": "17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate", "names": [ "17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate", "19-Nortestosterone cyclopentylpropionate" ] }, { "compound_id": "C14604", "inchi": "InChI=1S/C6H7NO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H,7H2", "name": "Aminohydroquinone", "names": [ "Aminohydroquinone" ] }, { "compound_id": "C14605", "inchi": "InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20+/m1/s1", "name": "Metholone", "names": [ "17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one", "Dromostanolone", "Metholone" ] }, { "compound_id": "C14606", "inchi": "InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,17+,18-,19-/m0/s1", "name": "3alpha,11beta-Dihydroxy-5alpha-androstane-17-one", "names": [ "11beta-Hydroxyandrosterone", "3alpha,11beta-Dihydroxy-5alpha-androstane-17-one" ] }, { "compound_id": "C14607", "inchi": "InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1", "name": "Testosterone decanoate", "names": [ "17beta-Hydroxyandrost-4-en-3-one decanoate", "Testosterone decanoate" ] }, { "compound_id": "C14608", "inchi": "InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1", "name": "3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one", "names": [ "3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one", "6alpha-Hydroxypregnanolone" ] }, { "compound_id": "C14609", "inchi": "InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21+/m1/s1", "name": "3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one", "names": [ "17alpha-Hydroxypregnanolone", "3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one" ] }, { "compound_id": "C14610", "inchi": "InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1", "name": "(S)-5-Oxo-2,5-dihydrofuran-2-acetate", "names": [ "(+)-Muconolactone", "(S)-5-Oxo-2,5-dihydrofuran-2-acetate" ] }, { "compound_id": "C14611", "inchi": "InChI=1S/C13H10Cl2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13H", "name": "1-Chloro-2-(chlorophenylmethyl)benzene", "names": [ "1-Chloro-2-(chlorophenylmethyl)benzene" ] }, { "compound_id": "C14612", "inchi": "InChI=1S/C22H20O6/c1-26-19-10-13(4-7-16(19)23)22(14-5-8-17(24)20(11-14)27-2)15-6-9-18(25)21(12-15)28-3/h4-12,23-24H,1-3H3", "name": "Rubrophen", "names": [ "4-[Bis(4-hydroxy-3-methoxyphenyl)methylene]-2-methoxy-2,5-cyclohexadien-1-one", "Rubrophen" ] }, { "compound_id": "C14613", "inchi": "InChI=1S/C13H12O3/c14-12-5-4-10-7-9(2-6-13(15)16)1-3-11(10)8-12/h1,3-5,7-8,14H,2,6H2,(H,15,16)", "name": "Allenolic acid", "names": [ "6-Hydroxy-2-naphthalenepropanoic acid", "Allenolic acid" ] }, { "compound_id": "C14614", "inchi": "InChI=1S/C10H14N4S/c1-2-3-4-5-15-10-8-9(12-6-11-8)13-7-14-10/h6-7H,2-5H2,1H3,(H,11,12,13,14)", "name": "6-(Pentylthio)purine", "names": [ "6-(Pentylthio)purine", "6-Amylmercaptopurine" ] }, { "compound_id": "C14615", "inchi": "InChI=1S/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-15,17,23H,4-9,11H2,1-3H3/t14-,15-,17+,18-,19-,20-/m0/s1", "name": "17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione", "names": [ "17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione" ] }, { "compound_id": "C14616", "inchi": "InChI=1S/C20H33FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12-16,22-24H,4-11H2,1-3H3/t12-,13-,14+,15+,16+,17+,18+,19+,20+/m1/s1", "name": "(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol", "names": [ "(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol", "9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha,11beta,17-triol" ] }, { "compound_id": "C14617", "inchi": "InChI=1S/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2/b16-15+", "name": "Chrysoidine free base", "names": [ "Chrysoidine free base", "Grasan Chrysoidine" ] }, { "compound_id": "C14618", "inchi": "InChI=1S/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1", "name": "6alpha-Fluoroprednisolone", "names": [ "6alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione", "6alpha-Fluoroprednisolone", "Fluprednisolone" ] }, { "compound_id": "C14619", "inchi": "InChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)", "name": "o-Chloroacetanilide", "names": [ "2'-Chloroacetanilide", "N-(2-Chlorophenyl)acetamide", "o-Chloroacetanilide" ] }, { "compound_id": "C14620", "inchi": "InChI=1S/C15H11NO3/c1-9(17)16-10-6-7-14-13(8-10)11-4-2-3-5-12(11)15(18)19-14/h2-8H,1H3,(H,16,17)", "name": "2-Acetamido-6H-dibenzo[b,d]pyran-6-one", "names": [ "2-Acetamido-6H-dibenzo[b,d]pyran-6-one" ] }, { "compound_id": "C14621", "inchi": "InChI=1S/C20H27FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-15,24H,4-9,11H2,1-3H3/t14-,15-,17-,18-,19-,20-/m0/s1", "name": "9-Fluoro-17-methyl-11-oxotestosterone", "names": [ "9-Fluoro-17-methyl-11-oxotestosterone", "9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-3,11-dione" ] }, { "compound_id": "C14622", "inchi": "InChI=1S/C15H13NO3/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(17)18/h2-11H,1H3/b3-2+", "name": "(E)-1-Methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene", "names": [ "(E)-1-Methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene", "(E)-Methoxy-4'-nitrostilbene" ] }, { "compound_id": "C14623", "inchi": "InChI=1S/C7H8N4S/c1-2-12-7-5-6(9-3-8-5)10-4-11-7/h3-4H,2H2,1H3,(H,8,9,10,11)", "name": "6-(Ethylthio)purine", "names": [ "6-(Ethylthio)purine", "6-Ethylmercaptopurine" ] }, { "compound_id": "C14624", "inchi": "InChI=1S/C25H40O4/c1-5-22(26)28-17-11-13-24(3)16(15-17)7-8-18-19-9-10-21(29-23(27)6-2)25(19,4)14-12-20(18)24/h16-21H,5-15H2,1-4H3/t16-,17+,18-,19-,20-,21-,24-,25-/m0/s1", "name": "Androstane-3,17-diol dipropionate", "names": [ "5alpha-Androstane-3alpha,17beta-diol dipropionate", "Androstane-3,17-diol dipropionate" ] }, { "compound_id": "C14625", "inchi": "InChI=1S/C24H31FO6/c1-13-9-18-16-6-8-23(30,20(29)12-31-14(2)26)22(16,4)11-19(28)24(18,25)21(3)7-5-15(27)10-17(13)21/h5,7,10,13,16,18-19,28,30H,6,8-9,11-12H2,1-4H3/t13-,16-,18-,19-,21-,22-,23-,24-/m0/s1", "name": "9alpha-Fluoro-6alpha-methylprednisolone 21-acetate", "names": [ "9alpha-Fluoro-6alpha-methylprednisolone 21-acetate" ] }, { "compound_id": "C14626", "inchi": "InChI=1S/C18H19Cl2N3O2/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)/b22-21+", "name": "2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene", "names": [ "2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene", "Azo-mustard", "CB 1414" ] }, { "compound_id": "C14627", "inchi": "InChI=1S/C19H28O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h11,14-16,21-22H,3-10H2,1-2H3/t14-,15+,16-,17-,18+,19+/m0/s1", "name": "14alpha,17beta-Dihydroxyandrost-4-en-3-one", "names": [ "14-Hydroxytestosterone", "14alpha,17beta-Dihydroxyandrost-4-en-3-one" ] }, { "compound_id": "C14628", "inchi": "InChI=1S/C20H30O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h11,13-16,18,21,23H,3-10H2,1-2H3/b12-11-/t13-,14-,15-,16-,18-,19-,20-/m0/s1", "name": "4,5alpha-Dihydro-2-(hydroxymethylene)testosterone", "names": [ "17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one", "4,5alpha-Dihydro-2-(hydroxymethylene)testosterone" ] }, { "compound_id": "C14629", "inchi": "InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1", "name": "Fluorometholone 17-acetate", "names": [ "6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone", "9-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 17-acetate", "Fluorometholone 17-acetate" ] }, { "compound_id": "C14630", "inchi": "InChI=1S/C22H31FO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h10,12,15-16,18-19,26H,5-9,11H2,1-4H3/t12-,15+,16-,18-,19-,20+,21-,22-/m0/s1", "name": "9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-3,20-dione", "names": [ "9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-3,20-dione" ] }, { "compound_id": "C14631", "inchi": "InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14+,15+,16-,17-,18+,19-/m0/s1", "name": "5-Androstene-3beta,16alpha-diol", "names": [ "3beta,16alpha-Dihydroxy-5-androstene", "5-Androstene-3beta,16alpha-diol", "Cetadiol" ] }, { "compound_id": "C14632", "inchi": "InChI=1S/C22H30O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,20H,5-9,11H2,1-4H3/t12-,15-,16+,17-,20+,21-,22+/m0/s1", "name": "6alpha-Methylpregn-4-ene-3,11,20-trione", "names": [ "6alpha-Methyl-11-oxoprogesterone", "6alpha-Methylpregn-4-ene-3,11,20-trione", "SKI22936" ] }, { "compound_id": "C14633", "inchi": "InChI=1S/C15H13NO2/c1-9(17)16-12-2-4-14-10(7-12)6-11-8-13(18)3-5-15(11)14/h2-5,7-8,18H,6H2,1H3,(H,16,17)", "name": "7-Hydroxy-2-acetamidofluorene", "names": [ "7-Hydroxy-2-acetamidofluorene", "N-(7-Hydroxy-9H-fluoren-2-yl)acetamide" ] }, { "compound_id": "C14634", "inchi": "InChI=1S/C26H40O4/c1-6-22(27)29-18-10-13-24(3)17(16-18)8-9-19-20(24)11-14-25(4)21(19)12-15-26(25,5)30-23(28)7-2/h8,18-21H,6-7,9-16H2,1-5H3/t18-,19+,20-,21-,24-,25-,26-/m0/s1", "name": "Methandriol dipropionate", "names": [ "Methandriol dipropionate" ] }, { "compound_id": "C14635", "inchi": "InChI=1S/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+/m0/s1", "name": "16alpha,17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate", "names": [ "16alpha,17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate", "16alpha,17alpha-Epoxypregnenolone acetate" ] }, { "compound_id": "C14636", "inchi": "InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1", "name": "9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate", "names": [ "9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate", "Isoflupredone acetate", "U-6013" ] }, { "compound_id": "C14637", "inchi": "InChI=1S/C21H24O4/c1-20-6-5-12(22)7-11(20)3-4-13-14-8-17-15(9-18(24)25-17)21(14,2)10-16(23)19(13)20/h7,9,13-14,17,19H,3-6,8,10H2,1-2H3/t13-,14-,17-,19+,20-,21-/m0/s1", "name": "16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone", "names": [ "16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone" ] }, { "compound_id": "C14638", "inchi": "InChI=1S/C21H29FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h7,13-16,23,25-26,28H,3-6,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1", "name": "9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione", "names": [ "9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione", "9alpha-Fluoro-16alpha-hydroxyhydrocortisone" ] }, { "compound_id": "C14639", "inchi": "InChI=1S/C9H9NO/c11-10-9-5-7-3-1-2-4-8(7)6-9/h1-4,11H,5-6H2", "name": "2-Indanone oxime", "names": [ "1,3-Dihydro-2H-inden-2-one oxime", "2-Indanone oxime" ] }, { "compound_id": "C14640", "inchi": "InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1", "name": "Estradiol 17beta-cyclopentylpropionate", "names": [ "Estradiol 17beta-cyclopentylpropionate", "Estradiol cypionate" ] }, { "compound_id": "C14641", "inchi": "InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1", "name": "Cholesteryl oleate", "names": [ "Cholest-5-en-3-beta-yl oleate", "Cholesteryl cis-9-octadecenoate", "Cholesteryl oleate" ] }, { "compound_id": "C14642", "inchi": "InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1", "name": "Melengestrol acetate", "names": [ "17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate", "17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione", "Melengestrol acetate" ] }, { "compound_id": "C14643", "inchi": "InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1", "name": "Medrysone", "names": [ "11beta-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione", "Medrysone" ] }, { "compound_id": "C14644", "inchi": "InChI=1S/C7H7BrN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)", "name": "4-Bromophenylthiourea", "names": [ "4-Bromophenylthiourea", "N-p-Bromophenylthiourea" ] }, { "compound_id": "C14645", "inchi": "InChI=1S/C27H32O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3/t22-,23-,24+,25+,27+/m1/s1", "name": "Estradiol-17-phenylpropionate", "names": [ "Estra-1,3,5(10)-triene-3,17beta-diol 17-benzenepropionate", "Estradiol-17-phenylpropionate" ] }, { "compound_id": "C14646", "inchi": "InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,11-12,16-19H,4-8,10H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1", "name": "Pregna-4,11-diene-3,20-dione", "names": [ "11-Dehydroprogesterone", "Pregna-4,11-diene-3,20-dione" ] }, { "compound_id": "C14647", "inchi": "InChI=1S/C21H27BrO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h10,15-17H,4-9,11H2,1-3H3/t15-,16+,17+,19-,20+,21+/m1/s1", "name": "Braxoron", "names": [ "9alpha-Bromo-11-oxoprogesterone", "9alpha-Bromopregn-4-ene-3,11,20-trione", "Braxoron" ] }, { "compound_id": "C14648", "inchi": "InChI=1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1", "name": "6alpha-Chloro-17-acetoxyprogesterone", "names": [ "6alpha-Chloro-17-acetoxyprogesterone", "6alpha-Chloro-17-hydroxypregn-4-ene-3,20-dione acetate" ] }, { "compound_id": "C14649", "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)16(22)10-15(21)17(13)19/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16+,17-,18+,19-/m1/s1", "name": "15alpha-Hydroxytestosterone", "names": [ "15alpha,17beta-Dihydroxyandrost-4-en-3-one", "15alpha-Hydroxytestosterone" ] }, { "compound_id": "C14650", "inchi": "InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-16,19H,6-9H2,1H3/t14-,15-,16+,18+/m1/s1", "name": "3-Hydroxyestra-1,3,5(10),6-tetraen-17-one", "names": [ "3-Hydroxyestra-1,3,5(10),6-tetraen-17-one", "6-Dehydroestrone" ] }, { "compound_id": "C14651", "inchi": "InChI=1S/C23H30O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-18,20H,4-9,11-12H2,1-3H3/t16-,17+,18+,20-,21+,22+,23-/m1/s1", "name": "16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate", "names": [ "16,17-Epoxydeoxycorticosterone acetate", "16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate" ] }, { "compound_id": "C14652", "inchi": "InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,14,16-18,21-22H,4-12H2,2H3/t14-,16-,17-,18+,19+,20+/m1/s1", "name": "19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol", "names": [ "17alpha-Ethynylestr-5(10)-ene-3alpha,17beta-diol", "19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol" ] }, { "compound_id": "C14653", "inchi": "InChI=1S/C24H31FO5/c1-13(26)24-19(29-20(2,3)30-24)11-17-16-7-6-14-10-15(27)8-9-21(14,4)23(16,25)18(28)12-22(17,24)5/h8-10,16-19,28H,6-7,11-12H2,1-5H3/t16-,17-,18-,19+,21-,22-,23-,24+/m0/s1", "name": "Descinolone acetonide", "names": [ "21-Deoxytriamcinoline acetonide", "Descinolone acetonide" ] }, { "compound_id": "C14654", "inchi": "InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1", "name": "12alpha-Hydroxyprogesterone", "names": [ "12alpha-Hydroxy-4-pregnene-3,20-dione", "12alpha-Hydroxyprogesterone" ] }, { "compound_id": "C14655", "inchi": "InChI=1S/C20H28O/c1-19(2)10-9-16-15-5-4-13-12-14(21)8-11-20(13,3)18(15)7-6-17(16)19/h12,15,18H,4-11H2,1-3H3/t15-,18-,20-/m0/s1", "name": "17,17-Dimethyl-18-norandrosta-4,13-dien-3-one", "names": [ "17,17-Dimethyl-18-norandrosta-4,13-dien-3-one" ] }, { "compound_id": "C14656", "inchi": "InChI=1S/C15H13NO2/c1-9(17)16-14-7-11-6-10-4-2-3-5-12(10)13(11)8-15(14)18/h2-5,7-8,18H,6H2,1H3,(H,16,17)", "name": "3-Hydroxy-2-acetamidofluorene", "names": [ "3-Hydroxy-2-acetamidofluorene", "N-(3-Hydroxy-2-fluorenyl)acetamide" ] }, { "compound_id": "C14657", "inchi": "InChI=1S/C21H14O/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(21)16-11-5-2-6-12-16/h1-14H", "name": "2,3-Diphenyl-1-indanone", "names": [ "2,3-Diphenyl-1-indanone", "2,3-Diphenyl-1H-inden-1-one", "2,3-Diphenylindone" ] }, { "compound_id": "C14658", "inchi": "InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1", "name": "Pregnenolone acetate", "names": [ "3beta-Hydroxypregn-5-en-20-one acetate", "Pregnenolone acetate" ] }, { "compound_id": "C14660", "inchi": "InChI=1S/C17H22O3/c1-4-14-11(2)15(17(18)19)9-10-16(14)12-5-7-13(20-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3,(H,18,19)", "name": "Carbestrol", "names": [ "3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid", "Carbestrol" ] }, { "compound_id": "C14661", "inchi": "InChI=1S/C21H30O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h6,8,13,17-19,22H,4-5,7,9-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1", "name": "3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol", "names": [ "17alpha-Ethyl-17beta-estradiol 3-methyl ether", "3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol" ] }, { "compound_id": "C14662", "inchi": "InChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+", "name": "(E)-4-Nitrostilbene", "names": [ "(E)-4-Nitrostilbene", "trans-p-Nitrostilbene" ] }, { "compound_id": "C14663", "inchi": "InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1", "name": "Testosterone isocaproate", "names": [ "17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate", "Testosterone isocaproate" ] }, { "compound_id": "C14664", "inchi": "InChI=1S/C24H33FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h9,15-17,19,26,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1", "name": "11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide", "names": [ "11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide" ] }, { "compound_id": "C14665", "inchi": "InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1", "name": "Oranabol", "names": [ "4,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one", "4-Hydroxy-17alpha-methyltestosterone", "Oranabol", "Oxymesterone" ] }, { "compound_id": "C14666", "inchi": "InChI=1S/C15H16O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3", "name": "1-(4-Methoxyphenyl)-2-phenylethane", "names": [ "1-(4-Methoxyphenyl)-2-phenylethane", "1-Methoxy-4-(2-phenylethyl)benzene", "4-Methoxydibenzyl" ] }, { "compound_id": "C14667", "inchi": "InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1", "name": "Testosterone phenylpropionate", "names": [ "17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate", "Testosterone phenylpropionate" ] }, { "compound_id": "C14668", "inchi": "InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1", "name": "Cortancyl", "names": [ "21-Acetoxy-17alpha-hydroxypregna-1,4-diene-3,11,20-trione", "Cortancyl", "Prednisone 21-acetate" ] }, { "compound_id": "C14669", "inchi": "InChI=1S/C21H29BrO3/c1-11(23)15-6-7-16-14-5-4-12-10-13(24)8-9-20(12,2)17(14)18(25)19(22)21(15,16)3/h10,14-19,25H,4-9H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21+/m0/s1", "name": "12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione", "names": [ "11beta-Hydroxy-12alpha-bromoprogesterone", "12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione" ] }, { "compound_id": "C14670", "inchi": "InChI=1S/C20H26O3/c1-3-19(22)10-8-16-15-5-4-13-12-14(21)6-11-20(13,23)17(15)7-9-18(16,19)2/h1,12,15-17,22-23H,4-11H2,2H3/t15-,16-,17-,18-,19-,20+/m0/s1", "name": "17-Ethynyl-10-hydroxy-19-nortestosterone", "names": [ "10beta-Hydroxynorethindrone", "17-Ethynyl-10-hydroxy-19-nortestosterone", "17alpha-Ethinyl-10beta,17beta-dihydroxy-4-estren-3-one" ] }, { "compound_id": "C14671", "inchi": "InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12+,13-,14-,17+,18-,19-/m0/s1", "name": "11-Ketoandrosterone", "names": [ "11-Ketoandrosterone", "3alpha-Hydroxy-5alpha-androstane-11,17-dione" ] }, { "compound_id": "C14672", "inchi": "InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H", "name": "p-Chlorobenzhydrol", "names": [ "(4-Chlorophenyl)phenylmethanol", "p-Chlorobenzhydrol" ] }, { "compound_id": "C14673", "inchi": "InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3/t24-,27+,29-,30+,31+,33+,34-/m1/s1", "name": "Cholesta-5,7-dien-3beta-ol benzoate", "names": [ "7-Dehydrocholesterol benzoate", "Cholesta-5,7-dien-3beta-ol benzoate" ] }, { "compound_id": "C14674", "inchi": "InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28?,29-/m1/s1", "name": "16alpha,17alpha-Dihydroxyprogesterone acetophenide", "names": [ "16alpha,17alpha-Dihydroxyprogesterone acetophenide" ] }, { "compound_id": "C14675", "inchi": "InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1", "name": "11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate", "names": [ "11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate", "Corticosterone 21-acetate" ] }, { "compound_id": "C14676", "inchi": "InChI=1S/C21H29ClO2/c1-12(23)14-6-7-15-13-4-5-17-19(22)18(24)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-16H,4-11H2,1-3H3/t13-,14+,15-,16-,20+,21+/m0/s1", "name": "4-Chloroprogesterone", "names": [ "4-Chloropregn-4-ene-3,20-dione", "4-Chloroprogesterone" ] }, { "compound_id": "C14677", "inchi": "InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1", "name": "1-Dehydroprogesterone", "names": [ "1-Dehydroprogesterone", "Pregna-1,4-diene-3,20-dione", "delta1-Progesterone" ] }, { "compound_id": "C14678", "inchi": "InChI=1S/C15H13NO2/c1-9(17)16-12-5-6-13-11(8-12)7-10-3-2-4-14(18)15(10)13/h2-6,8,18H,7H2,1H3,(H,16,17)", "name": "5-Hydroxy-2-acetamidofluorene", "names": [ "5-Hydroxy-2-acetamidofluorene", "N-(5-Hydroxy-2-fluorenyl)acetamide" ] }, { "compound_id": "C14679", "inchi": "InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+", "name": "p-Methoxystilbene", "names": [ "1-(p-Methoxyphenyl)-2-phenylethene", "p-Methoxystilbene" ] }, { "compound_id": "C14680", "inchi": "InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1", "name": "5beta-Pregnane-3alpha,17alpha,20alpha-triol", "names": [ "5beta-Pregnane-3alpha,17alpha,20alpha-triol" ] }, { "compound_id": "C14681", "inchi": "InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1", "name": "16-alpha,17-Epoxypregn-4-ene-3,20-dione", "names": [ "16-alpha,17-Epoxypregn-4-ene-3,20-dione", "16alpha,17alpha-Epoxyprogesterone" ] }, { "compound_id": "C14682", "inchi": "InChI=1S/C19H28O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,15-18,20H,3,5-11H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1", "name": "3-Methoxyestra-2,5(10)-dien-17beta-ol", "names": [ "3-Methoxyestra-2,5(10)-dien-17beta-ol" ] }, { "compound_id": "C14683", "inchi": "InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-/m0/s1", "name": "11beta,17beta-Dihydroxy-17-methylandrost-4-en-3-one", "names": [ "11beta,17beta-Dihydroxy-17-methylandrost-4-en-3-one", "11beta-Hydroxy-17alpha-methyltestosterone" ] }, { "compound_id": "C14684", "inchi": "InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h7,12,15,17,22H,4-6,8-11H2,1-3H3/t15-,17+,18+,19+,20+/m1/s1", "name": "17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one", "names": [ "17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one", "4,9(11)-Androstadien-17alpha-methyl-17beta-ol-3-one" ] }, { "compound_id": "C14685", "inchi": "InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2", "name": "1,2-Dihydrostilbene", "names": [ "1,2-Dihydrostilbene", "1,2-Diphenylethane", "Dibenzyl" ] }, { "compound_id": "C14686", "inchi": "InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2", "name": "Dicyclohexylamine", "names": [ "Dicyclohexylamine", "N-Cyclohexylcyclohexanamine" ] }, { "compound_id": "C14687", "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3", "name": "2-Ethoxyethanol", "names": [ "2-Ethoxyethanol" ] }, { "compound_id": "C14688", "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2", "name": "Bis(2-chloroethyl)ether", "names": [ "1,5-Dichloro-3-oxapentane", "2,2'-Dichlorethyl ether", "Bis(2-chloroethyl)ether" ] }, { "compound_id": "C14689", "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2", "name": "Diethylene glycol", "names": [ "1,5-Dihydroxy-3-oxapentane", "2,2'-Oxydiethanol", "Diethylene glycol" ] }, { "compound_id": "C14690", "inchi": "InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2", "name": "Tetraethylenepentamine", "names": [ "1,11-Diamino-3,6,9-triazaundecane", "Tetraethylenepentamine" ] }, { "compound_id": "C14691", "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3", "name": "Triethylamine", "names": [ "N,N-Diethylethanamine", "Triethylamine" ] }, { "compound_id": "C14692", "inchi": "InChI=1S/CHBr2Cl/c2-1(3)4/h1H", "name": "Chlorodibromomethane", "names": [ "Chlorodibromomethane", "Dibromochloromethane" ] }, { "compound_id": "C14693", "inchi": "InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3", "name": "2,6-Di-t-butyl-4-methylphenol", "names": [ "2,6-Bis(1,1-dimethylethyl)-4-methylphenol", "2,6-Di-t-butyl-4-methylphenol", "2,6-Di-tert-butyl-p-cresol", "BHT", "Butylated hydroxytoluene", "Butylhydroxytoluene" ] }, { "compound_id": "C14694", "inchi": "InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H", "name": "N-Phenyl-2-naphthylamine", "names": [ "2-Phenylaminonaphthalene", "N-Phenyl-2-naphthylamine", "Neozone" ] }, { "compound_id": "C14695", "inchi": "InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)", "name": "Nitrilotriacetic acid", "names": [ "Nitrilotriacetate", "Nitrilotriacetic acid", "Triglycollamic acid" ] }, { "compound_id": "C14696", "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", "name": "1-Nonanol", "names": [ "1-Hydroxynonane", "1-Nonanol", "n-Nonyl alcohol" ] }, { "compound_id": "C14697", "inchi": "InChI=1S/C11H16O/c1-9(2)3-4-10-5-7-11(12)8-6-10/h5-9,12H,3-4H2,1-2H3", "name": "4-Isopentylphenol", "names": [ "4-Isopentylphenol", "p-Isoamylphenol" ] }, { "compound_id": "C14698", "inchi": "InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3", "name": "4-n-Heptylphenol", "names": [ "4-n-Heptylphenol", "p-Heptylphenol", "p-Hydroxyheptylbenzene" ] }, { "compound_id": "C14699", "inchi": "InChI=1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h1-5,17H", "name": "1-Hydroxychlordene", "names": [ "1-Hydroxychlordene", "Chlordene hydroxide" ] }, { "compound_id": "C14700", "inchi": "InChI=1S/C4H6ClF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3", "name": "2-Chloro-1,1,2-trifluoroethyl ethyl ether", "names": [ "2-Chloro-1,1,2-trifluoroethyl ethyl ether", "Ethoxyflurane" ] }, { "compound_id": "C14701", "inchi": "InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2", "name": "Paraquat", "names": [ "1,1'-Dimethyl-4,4'-bipyridinium", "Paraquat" ] }, { "compound_id": "C14702", "inchi": "InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H", "name": "1,2-Dinitrobenzene", "names": [ "1,2-Dinitrobenzene", "o-Dinitrobenzene" ] }, { "compound_id": "C14703", "inchi": "InChI=1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3", "name": "1,8-Dimethylnaphthalene", "names": [ "1,8-Dimethylnaphthalene" ] }, { "compound_id": "C14704", "inchi": "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3", "name": "N-Nitrosodimethylamine", "names": [ "Dimethylnitrosamine", "N-Nitrosodimethylamine" ] }, { "compound_id": "C14705", "inchi": "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2", "name": "1,1,1,2-Tetrachloroethane", "names": [ "1,1,1,2-Tetrachloroethane" ] }, { "compound_id": "C14706", "inchi": "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3", "name": "Diethyl sulfate", "names": [ "DES", "Diethyl sulfate" ] }, { "compound_id": "C14707", "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H", "name": "Bromoform", "names": [ "Bromoform", "Tribromomethane" ] }, { "compound_id": "C14708", "inchi": "InChI=1S/CHBrCl2/c2-1(3)4/h1H", "name": "Bromodichloromethane", "names": [ "Bromodichloromethane" ] }, { "compound_id": "C14709", "inchi": "InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3", "name": "1,1-Dimethylethyl benzoate", "names": [ "1,1-Dimethylethyl benzoate", "tert-Butyl benzoate" ] }, { "compound_id": "C14710", "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3", "name": "Isobutyl alcohol", "names": [ "1-Hydroxymethylpropane", "2-Methyl-1-propanol", "Isobutanol", "Isobutyl alcohol" ] }, { "compound_id": "C14711", "inchi": "InChI=1S/2ClH.Ni/h2*1H;/q;;+2/p-2", "name": "Nickel chloride", "names": [ "Nickel chloride", "Nickel(II) chloride" ] }, { "compound_id": "C14712", "inchi": "InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2", "name": "2,5-Dichloroaniline", "names": [ "1-Amino-2,5-dichlorobenzene", "2,5-DCA", "2,5-Dichloroaniline" ] }, { "compound_id": "C14713", "inchi": "InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2", "name": "2,4-Dinitroaniline", "names": [ "1-Amino-2,4-dinitrobenzene", "2,4-Dinitroaniline" ] }, { "compound_id": "C14714", "inchi": "InChI=1S/C14H10Cl4/c15-11-6-4-9(5-7-11)13(14(17)18)10-2-1-3-12(16)8-10/h1-8,13-14H", "name": "2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane", "names": [ "2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane", "m,p'-DDD" ] }, { "compound_id": "C14715", "inchi": "InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3", "name": "4-Chloro-3,5-dimethylphenol", "names": [ "4-Chloro-3,5-dimethylphenol", "Chloroxylenol" ] }, { "compound_id": "C14716", "inchi": "InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3", "name": "2-Ethylhexyl-4-hydroxybenzoate", "names": [ "2-Ethylhexyl-4-hydroxybenzoate" ] }, { "compound_id": "C14717", "inchi": "InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1", "name": "15-Deoxy-delta-12,14-PGJ2", "names": [ "15-Deoxy-PGJ2", "15-Deoxy-delta-12,14-PGJ2", "15-Deoxy-delta-12,14-prostaglandin J2" ] }, { "compound_id": "C14718", "inchi": "InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3", "name": "Heptyl p-hydroxybenzoate", "names": [ "Heptyl p-hydroxybenzoate", "Heptylparaben" ] }, { "compound_id": "C14719", "inchi": "InChI=1S/C17H20O3/c1-4-15(17(2,3)16(19)20)13-6-5-12-10-14(18)8-7-11(12)9-13/h5-10,15,18H,4H2,1-3H3,(H,19,20)", "name": "Methallenestrilphenol", "names": [ "Methallenestrilphenol", "N-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid", "alpha,alpha-Dimethyl-beta-ethylallenolic acid", "beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid" ] }, { "compound_id": "C14720", "inchi": "InChI=1S/C18H16O4/c1-3-14-15-9-6-12(19)10-16(15)22-18(20)17(14)11-4-7-13(21-2)8-5-11/h4-10,19H,3H2,1-2H3", "name": "4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin", "names": [ "4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin" ] }, { "compound_id": "C14721", "inchi": "InChI=1S/C35H45NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-20,27-28,30-31,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16-,18+,19+,20+,27-,28-,30+,31+/m0/s1", "name": "34a-Deoxy-rifamycin W", "names": [ "34a-Deoxy-rifamycin W" ] }, { "compound_id": "C14722", "inchi": "InChI=1S/C35H43NO11/c1-13-9-8-10-14(2)34(45)36-21-12-22(37)23-24(30(42)17(5)31(43)25(23)32(21)44)27(39)15(3)11-20-29(41)19(7)33(47-35(20)46)18(6)28(40)16(4)26(13)38/h8-13,16,18-20,26,28-29,33,35,38,40-43,46H,1-7H3,(H,36,45)/b9-8+,14-10-,15-11+/t13-,16+,18+,19+,20-,26-,28+,29?,33-,35?/m0/s1", "name": "Rifamycin W-hemiacetal", "names": [ "Rifamycin W-hemiacetal" ] }, { "compound_id": "C14723", "inchi": "InChI=1S/C35H41NO11/c1-13-9-8-10-14(2)34(45)36-21-12-22(37)23-24(30(42)17(5)31(43)25(23)32(21)44)27(39)15(3)11-20-29(41)19(7)33(47-35(20)46)18(6)28(40)16(4)26(13)38/h8-13,16,18-20,26,28-29,33,38,40-43H,1-7H3,(H,36,45)/b9-8+,14-10-,15-11+/t13-,16+,18+,19+,20-,26-,28+,29+,33-/m0/s1", "name": "Rifamycin Z", "names": [ "Rifamycin Z" ] }, { "compound_id": "C14724", "inchi": "InChI=1S/C34H41NO11/c1-14-9-8-10-15(2)33(44)35-20-13-22(37)23-24(30(20)42)29(41)19(6)31-25(23)32(43)34(7,46-31)45-12-11-21(36)16(3)27(39)18(5)28(40)17(4)26(14)38/h8-14,16-18,21,26-28,36,38-41H,1-7H3,(H,35,44)/b9-8+,12-11+,15-10-", "name": "Demethyl-desacetyl-rifamycin S", "names": [ "Demethyl-desacetyl-rifamycin S" ] }, { "compound_id": "C14725", "inchi": "InChI=1S/C34H43NO11/c1-14-9-8-10-15(2)33(44)35-20-13-22(37)23-24(30(20)42)29(41)19(6)31-25(23)32(43)34(7,46-31)45-12-11-21(36)16(3)27(39)18(5)28(40)17(4)26(14)38/h8-14,16-18,21,26-28,36-42H,1-7H3,(H,35,44)/b9-8+,12-11+,15-10-/t14-,16+,17+,18-,21-,26-,27+,28+,34?/m0/s1", "name": "Demethyl-desacetyl-rifamycin SV", "names": [ "Demethyl-desacetyl-rifamycin SV" ] }, { "compound_id": "C14726", "inchi": "InChI=1S/C12H3Cl7O/c13-5-1-3(7(15)10(18)9(5)17)4-2-6(14)12(20)11(19)8(4)16/h1-2,20H", "name": "2,2',3,3',4',5,5'-Heptachloro-4-biphenylol", "names": [ "2,2',3,3',4',5,5'-Heptachloro-4-biphenylol" ] }, { "compound_id": "C14727", "inchi": "InChI=1S/C36H45NO12/c1-15-10-9-11-16(2)35(46)37-22-14-24(40)25-26(31(22)44)30(43)20(6)33-27(25)34(45)36(8,49-33)47-13-12-23(39)17(3)32(48-21(7)38)19(5)29(42)18(4)28(15)41/h9-15,17-19,23,28-29,32,39-44H,1-8H3,(H,37,46)/b10-9+,13-12+,16-11-/t15-,17+,18+,19+,23-,28-,29+,32+,36?/m0/s1", "name": "27-O-Demethyl-rifamycin SV", "names": [ "27-O-Demethyl-rifamycin SV" ] }, { "compound_id": "C14728", "inchi": "InChI=1S/C12H4Cl6O/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)12(19)11(18)9(5)16/h1-3,19H", "name": "2,2',3,3',4',5-Hexachloro-4-biphenylol", "names": [ "2,2',3,3',4',5-Hexachloro-4-biphenylol" ] }, { "compound_id": "C14729", "inchi": "InChI=1S/C12H5Cl5O/c13-7-2-1-6(10(16)11(7)17)5-3-8(14)12(18)9(15)4-5/h1-4,18H", "name": "2',3,3',4',5-Pentachloro-4-biphenylol", "names": [ "2',3,3',4',5-Pentachloro-4-biphenylol" ] }, { "compound_id": "C14730", "inchi": "InChI=1S/C12H4Cl6O/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)12(19)11(18)10(5)17/h1-3,19H", "name": "2,2',3,4',5,5'-Hexachloro-4-biphenylol", "names": [ "2,2',3,4',5,5'-Hexachloro-4-biphenylol" ] }, { "compound_id": "C14731", "inchi": "InChI=1S/C18H23BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1", "name": "16alpha-Bromo-17beta-estradiol", "names": [ "16alpha-Bromo-1,3,5(10)-estratriene-3,17beta-diol", "16alpha-Bromo-17beta-estradiol" ] }, { "compound_id": "C14732", "inchi": "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+", "name": "5-OxoETE", "names": [ "(6E,8Z,11Z,14Z)-5-Oxoicosa-6,8,11,14-tetraenoic acid", "5-OxoETE", "5-Oxoeicosatetraenoic acid", "5-Oxoicosatetraenoic acid" ] }, { "compound_id": "C14733", "inchi": "InChI=1S/C12H6Cl4O/c13-9-5-8(10(14)12(16)11(9)15)6-2-1-3-7(17)4-6/h1-5,17H", "name": "2',3',4',5'-Tetrachloro-3-biphenylol", "names": [ "2',3',4',5'-Tetrachloro-3-biphenylol", "2',3',4',5'-Tetrachloro-3-hydroxybiphenyl" ] }, { "compound_id": "C14734", "inchi": "InChI=1S/C12H8Cl2O/c13-9-4-5-12(14)11(7-9)8-2-1-3-10(15)6-8/h1-7,15H", "name": "2',5'-Dichloro-3-biphenylol", "names": [ "2',5'-Dichloro-3-biphenylol", "2',5'-Dichloro-3-hydroxybiphenyl" ] }, { "compound_id": "C14736", "inchi": "InChI=1S/C12H8Cl2O/c13-8-5-6-11(14)10(7-8)9-3-1-2-4-12(9)15/h1-7,15H", "name": "2',5'-Dichloro-2-biphenylol", "names": [ "2',5'-Dichloro-2-biphenylol", "2',5'-Dichloro-2-hydroxybiphenyl" ] }, { "compound_id": "C14737", "inchi": "InChI=1S/C12H7Cl3O/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6,16H", "name": "4,3',5'-Trichloro-4'-biphenol", "names": [ "3,4',5-Trichloro-4-biphenylol", "4,3',5'-Trichloro-4'-biphenol" ] }, { "compound_id": "C14738", "inchi": "InChI=1S/C18H20O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-11,15,18-20H,3H2,1-2H3", "name": "Indanestrol", "names": [ "Indanestrol" ] }, { "compound_id": "C14739", "inchi": "InChI=1S/C18H20O4/c1-3-13(11-5-7-15(19)17(21)9-11)14(4-2)12-6-8-16(20)18(22)10-12/h5-10,19-22H,3-4H2,1-2H3/b14-13+", "name": "alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol", "names": [ "3,4,3',4'-Tetrahydroxy-alpha,alpha'-diethylstilbene", "alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol" ] }, { "compound_id": "C14740", "inchi": "InChI=1S/C18H20O3/c1-3-15(12-5-8-14(19)9-6-12)16(4-2)13-7-10-17(20)18(21)11-13/h5-11,19-21H,3-4H2,1-2H3/b16-15+", "name": "alpha,alpha'-Diethyl-3,4,4'-stilbenetriol", "names": [ "(E)-4-[1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl]-1,2-benzenediol", "3,4,4'-Trihydroxy-alpha,alpha'-diethylstilbene", "alpha,alpha'-Diethyl-3,4,4'-stilbenetriol" ] }, { "compound_id": "C14741", "inchi": "InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3", "name": "4-Isopropyl-3-methylphenol", "names": [ "4-Isopropyl-3-methylphenol", "4-Isopropyl-m-cresol", "o-Cymen-5y-ol" ] }, { "compound_id": "C14742", "inchi": "InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H", "name": "N-Nitrosodiphenylamine", "names": [ "N-Nitrosodiphenylamine" ] }, { "compound_id": "C14743", "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3", "name": "Isophorone", "names": [ "1,1,3-Trimethyl-3-cyclohexene-5-one", "Isophorone" ] }, { "compound_id": "C14744", "inchi": "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3", "name": "Dacthal", "names": [ "Chlorthal-dimethyl", "Dacthal", "Dimethyl 2,3,5,6-tetrachloroterephthalate" ] }, { "compound_id": "C14745", "inchi": "InChI=1S/C21H21NO4/c1-5-22-20-11-10-18(26-15(4)24)12-19(20)13(2)21(22)16-6-8-17(9-7-16)25-14(3)23/h6-12H,5H2,1-4H3", "name": "Zindoxifene", "names": [ "Zindoxifene" ] }, { "compound_id": "C14746", "inchi": "InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3/b12-7+", "name": "Chlordimeform", "names": [ "Chlordimeform", "Chlorphenamidine", "N'-(4-Chloro-2-methylphenyl)-N,N-dimethylformamidine" ] }, { "compound_id": "C14747", "inchi": "InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2", "name": "2,2'-Bisphenol F", "names": [ "2,2'-Bisphenol F", "Bis(2-hydroxyphenyl)methane" ] }, { "compound_id": "C14748", "inchi": "InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-", "name": "20-HETE", "names": [ "(5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoic acid", "20-HETE", "20-Hydroxy arachidonic acid", "20-Hydroxyeicosatetraenoic acid", "20-Hydroxyicosatetraenoic acid" ] }, { "compound_id": "C14749", "inchi": "InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-/t19-/m1/s1", "name": "19(S)-HETE", "names": [ "(19S)-Hydroxy arachidonic acid", "(19S)-Hydroxyeicosatetraenoic acid", "(19S)-Hydroxyicosatetraenoic acid", "19(S)-HETE" ] }, { "compound_id": "C14750", "inchi": "InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1", "name": "alpha-Zearalenol", "names": [ "alpha-Zearalenol", "trans-Zearalenol" ] }, { "compound_id": "C14751", "inchi": "InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1", "name": "beta-Zearalenol", "names": [ "beta-Zearalenol", "beta-trans-Zearalenol" ] }, { "compound_id": "C14752", "inchi": "InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1", "name": "alpha-Zearalanol", "names": [ "Zeranol", "alpha-Zearalanol" ] }, { "compound_id": "C14753", "inchi": "InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1", "name": "beta-Zearalanol", "names": [ "Taleranol", "beta-Zearalanol" ] }, { "compound_id": "C14754", "inchi": "InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1", "name": "Zearalanone", "names": [ "(S)-Zearalanone", "Zearalanone" ] }, { "compound_id": "C14755", "inchi": "InChI=1S/C12H9ClO/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8,14H", "name": "2-Chloro-4-biphenylol", "names": [ "2-Chloro-4-biphenylol", "2-Chloro-4-hydroxybiphenyl" ] }, { "compound_id": "C14756", "inchi": "InChI=1S/C12H5Cl5O/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(18)11(16)12(10)17/h1-4,18H", "name": "2,2',3,6,6'-Pentachloro-4-biphenylol", "names": [ "2,2',3,6,6'-Pentachloro-4-biphenylol" ] }, { "compound_id": "C14757", "inchi": "InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1", "name": "Moxestrol", "names": [ "11beta-Methoxy-17alpha-ethinylestradiol", "17alpha-Ethinyl-11beta-methoxy-1,3,5(10)-estratrien-3,17-diol", "Moxestrol" ] }, { "compound_id": "C14758", "inchi": "InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1", "name": "ICI 164384", "names": [ "ICI 164384", "N-n-Butyl-N-methyl-11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl]undecanamide" ] }, { "compound_id": "C14759", "inchi": "InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2", "name": "4,4'-Diaminodiphenyl ether", "names": [ "4,4'-Diaminodiphenyl ether", "4,4'-Oxybisbenzenamine", "4,4'-Oxydianiline", "4-Aminophenyl ether" ] }, { "compound_id": "C14760", "inchi": "InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;;", "name": "Amaranth", "names": [ "Amaranth" ] }, { "compound_id": "C14761", "inchi": "InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+", "name": "trans,trans-1,4-Diphenyl-1,3-butadiene", "names": [ "trans,trans-1,4-Diphenyl-1,3-butadiene" ] }, { "compound_id": "C14762", "inchi": "InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1", "name": "13(S)-HODE", "names": [ "(13S)-Hydroxyoctadecadienoic acid", "(9Z,11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid", "13(S)-HODE" ] }, { "compound_id": "C14763", "inchi": "InChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,15H/b7-6+", "name": "trans-4-Hydroxystilbene", "names": [ "(E)-4-Stilbenol", "trans-4-Hydroxystilbene" ] }, { "compound_id": "C14764", "inchi": "InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)", "name": "2-Thiophenesulfonamide", "names": [ "2-Thiophenesulfonamide" ] }, { "compound_id": "C14765", "inchi": "InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+", "name": "13-OxoODE", "names": [ "(9Z,11E)-13-Oxooctadeca-9,11-dienoic acid", "13-KODE", "13-OxoODE" ] }, { "compound_id": "C14766", "inchi": "InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+", "name": "9-OxoODE", "names": [ "(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid", "9-KODE", "9-OxoODE" ] }, { "compound_id": "C14767", "inchi": "InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1", "name": "9(S)-HODE", "names": [ "(10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid", "(9S)-Hydroxyoctadecadienoic acid", "9(S)-HODE" ] }, { "compound_id": "C14768", "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-", "name": "5,6-EET", "names": [ "(8Z,11Z,14Z)-5,6-Epoxyeicosa-8,11,14-trienoic acid", "(8Z,11Z,14Z)-5,6-Epoxyicosa-8,11,14-trienoic acid", "5,6-EET" ] }, { "compound_id": "C14769", "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-", "name": "8,9-EET", "names": [ "(5Z,11Z,14Z)-8,9-Epoxyeicosa-5,11,14-trienoic acid", "(5Z,11Z,14Z)-8,9-Epoxyicosa-5,11,14-trienoic acid", "8,9-EET" ] }, { "compound_id": "C14770", "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-", "name": "11,12-EET", "names": [ "(5Z,8Z,14Z)-11,12-Epoxyeicosa-5,8,14-trienoic acid", "(5Z,8Z,14Z)-11,12-Epoxyicosa-5,8,14-trienoic acid", "11,12-EET" ] }, { "compound_id": "C14771", "inchi": "InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-", "name": "14,15-EET", "names": [ "(5Z,8Z,11Z)-14,15-Epoxyeicosa-5.8.11-trienoic acid", "(5Z,8Z,11Z)-14,15-Epoxyicosa-5.8.11-trienoic acid", "14,15-EET" ] }, { "compound_id": "C14772", "inchi": "InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-", "name": "5,6-DHET", "names": [ "(8Z,11Z,14Z)-5,6-Dihydroxyeicosa-8,11,14-trienoic acid", "(8Z,11Z,14Z)-5,6-Dihydroxyicosa-8,11,14-trienoic acid", "5,6-DHET" ] }, { "compound_id": "C14773", "inchi": "InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-", "name": "8,9-DHET", "names": [ "(5Z,11Z,14Z)-8,9-Dihydroxyeicosa-5,11,14-trienoic acid", "(5Z,11Z,14Z)-8,9-Dihydroxyicosa-5,11,14-trienoic acid", "8,9-DHET" ] }, { "compound_id": "C14774", "inchi": "InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10-", "name": "11,12-DHET", "names": [ "(5Z,8Z,14Z)-11,12-Dihydroxyeicosa-5,8,14-trienoic acid", "(5Z,8Z,14Z)-11,12-Dihydroxyicosa-5,8,14-trienoic acid", "11,12-DHET" ] }, { "compound_id": "C14775", "inchi": "InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-", "name": "14,15-DHET", "names": [ "(5Z,8Z,11Z)-14,15-Dihydroxyeicosa-5,8,11-trienoic acid", "(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-trienoic acid", "14,15-DHET" ] }, { "compound_id": "C14776", "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1", "name": "8(S)-HETE", "names": [ "(5Z,9E,11Z,14Z)-(8S)-8-Hydroxyeicosa-5,9,11,14-tetraenoic acid", "(5Z,9E,11Z,14Z)-(8S)-8-Hydroxyicosa-5,9,11,14-tetraenoic acid", "8(S)-HETE" ] }, { "compound_id": "C14777", "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1", "name": "12(S)-HETE", "names": [ "(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid", "(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid", "12(S)-HETE" ] }, { "compound_id": "C14778", "inchi": "InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-/t19-/m1/s1", "name": "16(R)-HETE", "names": [ "(5Z,8Z,11Z,14Z)-(16R)-16-Hydroxyeicosa-5,8,11,14-tetraenoic acid", "(5Z,8Z,11Z,14Z)-(16R)-16-Hydroxyicosa-5,8,11,14-tetraenoic acid", "16(R)-HETE" ] }, { "compound_id": "C14779", "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9-,13-10-,17-14+/t19-/m0/s1", "name": "9(S)-HETE", "names": [ "(5Z,7E,11Z,14Z)-(9S)-9-Hydroxyeicosa-5,7,11,14-tetraenoic acid", "(5Z,7E,11Z,14Z)-(9S)-9-Hydroxyicosa-5,7,11,14-tetraenoic acid", "9(S)-HETE" ] }, { "compound_id": "C14780", "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1", "name": "11(R)-HETE", "names": [ "(5Z,8Z,12E,14Z)-(11R)-Hydroxyeicosa-5,8,12,14-tetraenoic acid", "(5Z,8Z,12E,14Z)-(11R)-Hydroxyicosa-5,8,12,14-tetraenoic acid", "11(R)-HETE" ] }, { "compound_id": "C14781", "inchi": "InChI=1S/C20H32O4/c1-2-3-9-12-17(21)15-16-19-18(24-19)13-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1", "name": "15H-11,12-EETA", "names": [ "(5Z,8Z,13E)-(15S)-11,12-Epoxy-15-hydroxyeicosa-5,8,13-trienoic acid", "(5Z,8Z,13E)-(15S)-11,12-Epoxy-15-hydroxyicosa-5,8,13-trienoic acid", "15-Hydroxy-11,12-epoxyeicosatrienoic acid", "15H-11,12-EETA" ] }, { "compound_id": "C14782", "inchi": "InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1", "name": "11,12,15-THETA", "names": [ "(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyeicosa-5,8,12-trienoic acid", "(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyicosa-5,8,12-trienoic acid", "11,12,15-THETA", "11,12,15-Trihydroxyicosatrienoic acid" ] }, { "compound_id": "C14783", "inchi": "InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H", "name": "1,2-Naphthoquinone", "names": [ "1,2-Naphthalenedione", "1,2-Naphthoquinone" ] }, { "compound_id": "C14784", "inchi": "InChI=1S/C10H10O3/c11-7-5-3-1-2-4-6(5)9-10(13-9)8(7)12/h1-4,7-12H", "name": "1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene", "names": [ "1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene" ] }, { "compound_id": "C14785", "inchi": "InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H", "name": "1,4-Dihydroxynaphthalene", "names": [ "1,4-Dihydroxynaphthalene", "1,4-Naphthohydroquinone", "Naphthalene-1,4-diol" ] }, { "compound_id": "C14786", "inchi": "InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m0/s1", "name": "(1R,2S)-Naphthalene 1,2-oxide", "names": [ "(1R,2S)-Naphthalene 1,2-oxide", "(1R,2S)-Naphthalene epoxide" ] }, { "compound_id": "C14787", "inchi": "InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m1/s1", "name": "(1S,2R)-Naphthalene 1,2-oxide", "names": [ "(1S,2R)-Naphthalene 1,2-oxide", "(1S,2R)-Naphthalene epoxide" ] }, { "compound_id": "C14788", "inchi": "InChI=1S/C10H7NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H", "name": "1-Nitrosonaphthalene", "names": [ "1-Nitrosonaphthalene" ] }, { "compound_id": "C14789", "inchi": "InChI=1S/C10H9NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H", "name": "N-Hydroxy-1-aminonaphthalene", "names": [ "1-Naphthylhydroxylamine", "N-Hydroxy-1-aminonaphthalene" ] }, { "compound_id": "C14790", "inchi": "InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2", "name": "1-Naphthylamine", "names": [ "1-Naphthylamine" ] }, { "compound_id": "C14791", "inchi": "InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(24)23-14(19(28)22-9-17(25)26)10-31-15-7-5-11-3-1-2-4-12(11)18(15)27/h1-5,7,13-15,18,27H,6,8-10,21H2,(H,22,28)(H,23,24)(H,25,26)(H,29,30)/t13-,14-,15+,18+/m0/s1", "name": "(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene", "names": [ "(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene" ] }, { "compound_id": "C14792", "inchi": "InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(24)23-14(19(28)22-9-17(25)26)10-31-15-7-5-11-3-1-2-4-12(11)18(15)27/h1-5,7,13-15,18,27H,6,8-10,21H2,(H,22,28)(H,23,24)(H,25,26)(H,29,30)/t13-,14-,15-,18-/m0/s1", "name": "(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene", "names": [ "(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene" ] }, { "compound_id": "C14793", "inchi": "InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(25)23-14(19(28)22-9-17(26)27)10-31-18-12-4-2-1-3-11(12)5-7-15(18)24/h1-5,7,13-15,18,24H,6,8-10,21H2,(H,22,28)(H,23,25)(H,26,27)(H,29,30)/t13-,14-,15+,18+/m0/s1", "name": "(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene", "names": [ "(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene" ] }, { "compound_id": "C14794", "inchi": "InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14-,15+,16-,17+/m0/s1", "name": "2,3-Dinor-8-iso prostaglandin F2alpha", "names": [ "2,3-Dinor-8-iso PGF2alpha", "2,3-Dinor-8-iso prostaglandin F2alpha" ] }, { "compound_id": "C14795", "inchi": "InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1", "name": "2,3-Dinor-8-iso prostaglandin F1alpha", "names": [ "2,3-Dinor-8-iso PGF1alpha", "2,3-Dinor-8-iso prostaglandin F1alpha" ] }, { "compound_id": "C14796", "inchi": "InChI=1S/C15H17NO4S/c1-9(17)16-12(15(19)20)8-21-13-7-6-10-4-2-3-5-11(10)14(13)18/h2-7,12-14,18H,8H2,1H3,(H,16,17)(H,19,20)/t12-,13+,14+/m0/s1", "name": "(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene", "names": [ "(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene" ] }, { "compound_id": "C14797", "inchi": "InChI=1S/C15H17NO4S/c1-9(17)16-12(15(19)20)8-21-14-11-5-3-2-4-10(11)6-7-13(14)18/h2-7,12-14,18H,8H2,1H3,(H,16,17)(H,19,20)/t12-,13+,14+/m0/s1", "name": "(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-1,2-dihydronaphthalene", "names": [ "(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-1,2-dihydronaphthalene" ] }, { "compound_id": "C14798", "inchi": "InChI=1S/C15H17NO4S/c1-9(17)16-12(15(19)20)8-21-13-7-6-10-4-2-3-5-11(10)14(13)18/h2-7,12-14,18H,8H2,1H3,(H,16,17)(H,19,20)/t12-,13-,14-/m0/s1", "name": "(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene", "names": [ "(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene" ] }, { "compound_id": "C14799", "inchi": "InChI=1S/C13H12O4S/c14-10-6-5-8-3-1-2-4-9(8)12(10)18-7-11(15)13(16)17/h1-6,10,12,14H,7H2,(H,16,17)/t10-,12-/m1/s1", "name": "(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid", "names": [ "(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid" ] }, { "compound_id": "C14800", "inchi": "InChI=1S/C10H7NO3/c12-11(13)8-3-1-2-7-6(8)4-5-9-10(7)14-9/h1-5,9-10H", "name": "1-Nitronaphthalene-5,6-oxide", "names": [ "1-Nitronaphthalene-5,6-oxide" ] }, { "compound_id": "C14801", "inchi": "InChI=1S/C10H9NO4/c12-9-5-4-6-7(10(9)13)2-1-3-8(6)11(14)15/h1-5,9-10,12-13H", "name": "1-Nitro-5,6-dihydroxy-dihydronaphthalene", "names": [ "1,2-Dihydro-5-nitro-1,2-naphthalenediol", "1-Nitro-5,6-dihydroxy-dihydronaphthalene" ] }, { "compound_id": "C14802", "inchi": "InChI=1S/C10H7NO3/c12-11(13)7-3-1-2-6-4-5-8-10(14-8)9(6)7/h1-5,8,10H", "name": "1-Nitronaphthalene-7,8-oxide", "names": [ "1-Nitronaphthalene-7,8-oxide" ] }, { "compound_id": "C14803", "inchi": "InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(26)23-12(19(29)22-8-16(27)28)9-34-18-14(25)6-4-10-2-1-3-13(17(10)18)24(32)33/h1-4,6,11-12,14,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t11-,12-,14?,18?/m0/s1", "name": "1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene", "names": [ "1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene" ] }, { "compound_id": "C14804", "inchi": "InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(25)23-12(19(29)22-8-16(26)27)9-34-14-6-4-10-2-1-3-13(24(32)33)17(10)18(14)28/h1-4,6,11-12,14,18,28H,5,7-9,21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)/t11-,12-,14?,18?/m0/s1", "name": "1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene", "names": [ "1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene" ] }, { "compound_id": "C14805", "inchi": "InChI=1S/C20H24N4O9S/c21-12(20(30)31)5-7-16(25)23-13(19(29)22-8-17(26)27)9-34-15-6-4-10-11(18(15)28)2-1-3-14(10)24(32)33/h1-4,6,12-13,15,18,28H,5,7-9,21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)/t12-,13-,15?,18?/m0/s1", "name": "1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene", "names": [ "1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene" ] }, { "compound_id": "C14806", "inchi": "InChI=1S/C20H24N4O9S/c21-12(20(30)31)5-7-16(26)23-13(19(29)22-8-17(27)28)9-34-18-11-2-1-3-14(24(32)33)10(11)4-6-15(18)25/h1-4,6,12-13,15,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t12-,13-,15?,18?/m0/s1", "name": "1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene", "names": [ "1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene" ] }, { "compound_id": "C14807", "inchi": "InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+", "name": "12-OxoETE", "names": [ "(5Z,8Z,10E,14Z)-12-Oxoeicosa-5,8,10,14-tetraenoic acid", "(5Z,8Z,10E,14Z)-12-Oxoicosa-5,8,10,14-tetraenoic acid", "12-KETE", "12-OxoETE" ] }, { "compound_id": "C14808", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1", "name": "Hepoxilin A3", "names": [ "(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyeicosa-5,9,14-trienoic acid", "(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid", "Hepoxilin A3" ] }, { "compound_id": "C14809", "inchi": "InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1", "name": "Trioxilin A3", "names": [ "(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoic acid", "(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid", "Trioxilin A3" ] }, { "compound_id": "C14810", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1", "name": "Hepoxilin B3", "names": [ "(5Z,8Z,14Z)-(11R,12S)-11,12-Epoxy-10-hydroxyeicosa-5,8,14-trienoic acid", "(5Z,8Z,14Z)-(11R,12S)-11,12-Epoxy-10-hydroxyicosa-5,8,14-trienoic acid", "Hepoxilin B3" ] }, { "compound_id": "C14811", "inchi": "InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1", "name": "Trioxilin B3", "names": [ "(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyeicosa-5,8,14-trienoic acid", "(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyicosa-5,8,14-trienoic acid", "Trioxilin B3" ] }, { "compound_id": "C14812", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1", "name": "12(R)-HPETE", "names": [ "(5Z,8Z,10E,14Z)-(12R)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoic acid", "(5Z,8Z,10E,14Z)-(12R)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid", "12(R)-HPETE" ] }, { "compound_id": "C14813", "inchi": "InChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+", "name": "11H-14,15-EETA", "names": [ "(5Z,8Z,12E)-14,15-Epoxy-11-hydroxyeicosa-5,8,12-trienoic acid", "(5Z,8Z,12E)-14,15-Epoxy-11-hydroxyicosa-5,8,12-trienoic acid", "11-Hydroxy-14,15-EETA", "11-Hydroxy-14,15-epoxyeicosatrienoic acid", "11H-14,15-EETA" ] }, { "compound_id": "C14814", "inchi": "InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+", "name": "11,14,15-THETA", "names": [ "(5Z,8Z,12E)-11,14,15-Trihydroxyeicosa-5,8,12-trienoic acid", "(5Z,8Z,12E)-11,14,15-Trihydroxyicosa-5,8,12-trienoic acid", "11,14,15-THETA", "11,14,15-Trihydroxyicosatrienoic acid" ] }, { "compound_id": "C14815", "inchi": "InChI=1S/C20H30O4/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18-19(24-18)15-11-16-20(22)23/h4-7,9-10,13-14,17-19,21H,2-3,8,11-12,15-16H2,1H3,(H,22,23)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1", "name": "5,6-Epoxytetraene", "names": [ "(7E,9E,11Z,13E)-(5S,6S,15S)-5,6-Epoxy-15-hydroxyeicosa-7,9,11,13-tetraenoic acid", "(7E,9E,11Z,13E)-(5S,6S,15S)-5,6-Epoxy-15-hydroxyicosa-7,9,11,13-tetraenoic acid", "5,6-Epoxytetraene" ] }, { "compound_id": "C14816", "inchi": "InChI=1S/C41H49F2N8O9P/c1-3-38(29(2)60-39(52)5-4-20-59-61(54,55)56)51-40(53)50(28-46-51)34-9-7-32(8-10-34)47-16-18-48(19-17-47)33-11-13-35(14-12-33)57-23-30-22-41(58-24-30,25-49-27-44-26-45-49)36-15-6-31(42)21-37(36)43/h6-15,21,26-30,38H,3-5,16-20,22-25H2,1-2H3,(H2,54,55,56)/t29-,30+,38-,41-/m0/s1", "name": "Sch 59884", "names": [ "Sch 59884" ] }, { "compound_id": "C14817", "inchi": "InChI=1S/C23H20F2N5O5PS/c1-15(22-29-21(10-37-22)17-4-2-16(9-26)3-5-17)23(11-30-13-27-12-28-30,34-14-35-36(31,32)33)19-7-6-18(24)8-20(19)25/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33)/t15-,23+/m0/s1", "name": "BMS 379224", "names": [ "BMS 379224" ] }, { "compound_id": "C14818", "inchi": "InChI=1S/Fe/q+2", "name": "Fe2+", "names": [ "Fe(II)", "Fe2+", "Ferrous ion", "Iron(2+)" ] }, { "compound_id": "C14819", "inchi": "InChI=1S/Fe/q+3", "name": "Fe3+", "names": [ "Fe(III)", "Fe3+", "Ferric ion", "Iron(3+)" ] }, { "compound_id": "C14820", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1", "name": "11(R)-HPETE", "names": [ "(5Z,8Z,12E,14Z)-(11R)-Hydroperoxyeicosa-5,8,12,14-tetraenoic acid", "(5Z,8Z,12E,14Z)-(11R)-Hydroperoxyicosa-5,8,12,14-tetraenoic acid", "11(R)-HPETE" ] }, { "compound_id": "C14821", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/b7-6-,11-9-,13-10-,17-14+/t19-/m0/s1", "name": "9(S)-HPETE", "names": [ "(5Z,7E,11Z,14Z)-(9S)-9-Hydroperoxyeicosa-5,7,11,14-tetraenoic acid", "(5Z,7E,11Z,14Z)-(9S)-9-Hydroperoxyicosa-5,7,11,14-tetraenoic acid", "9(S)-HPETE" ] }, { "compound_id": "C14822", "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1", "name": "12(R)-HETE", "names": [ "(5Z,8Z,10E,14Z)-(12R)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid", "(5Z,8Z,10E,14Z)-(12R)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid", "12(R)-HETE" ] }, { "compound_id": "C14823", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1", "name": "8(S)-HPETE", "names": [ "(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyeicosa-5,9,11,14-tetraenoic acid", "(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyicosa-5,9,11,14-tetraenoic acid", "8(S)-HPETE" ] }, { "compound_id": "C14824", "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1", "name": "8(R)-HETE", "names": [ "(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyeicosa-5,9,11,14-tetraenoate", "(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyeicosa-5,9,11,14-tetraenoic acid", "(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyicosa-5,9,11,14-tetraenoate", "(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyicosa-5,9,11,14-tetraenoic acid", "8(R)-HETE" ] }, { "compound_id": "C14825", "inchi": "InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m0/s1", "name": "9(10)-EpOME", "names": [ "(9R,10S)-(12Z)-9,10-Epoxyoctadecenoic acid", "9(10)-EpOME" ] }, { "compound_id": "C14826", "inchi": "InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1", "name": "12(13)-EpOME", "names": [ "(12R,13S)-(9Z)-12,13-Epoxyoctadecenoic acid", "12(13)-EpOME" ] }, { "compound_id": "C14827", "inchi": "InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+/t17-/m1/s1", "name": "9(S)-HPODE", "names": [ "(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid", "(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate", "9(S)-HPOD", "9(S)-HPODE" ] }, { "compound_id": "C14828", "inchi": "InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-", "name": "9,10-DHOME", "names": [ "(12Z)-9,10-Dihydroxyoctadec-12-enoic acid", "9,10-DHOA", "9,10-DHOME" ] }, { "compound_id": "C14829", "inchi": "InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-", "name": "12,13-DHOME", "names": [ "(9Z)-12,13-Dihydroxyoctadec-9-enoic acid", "12,13-DHOA", "12,13-DHOME" ] }, { "compound_id": "C14830", "inchi": "InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,8+,9+,10+,11-,14+,15+/m0/s1", "name": "GDP-4-keto-6-L-deoxygalactose", "names": [ "GDP-4-keto-6-L-deoxygalactose" ] }, { "compound_id": "C14831", "inchi": "InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6-,14-11-/t17-/m0/s1", "name": "8(R)-HPODE", "names": [ "(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid", "8(R)-HPODE" ] }, { "compound_id": "C14832", "inchi": "InChI=1S/C18H32O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+/t15-,16-,17+/m0/s1", "name": "12,13-Epoxy-9-hydroxy-10-octadecenoate", "names": [ "(10E)-(9S,12R,13S)-12,13-Epoxy-9-hydroxyoctadec-10-enoic acid", "12(R),13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid", "12,13-Epoxy-9-hydroxy-10-octadecenoate" ] }, { "compound_id": "C14833", "inchi": "InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1", "name": "9,12,13-TriHOME", "names": [ "(10E)-(9S,12S,13S)-9,12,13-Trihydroxyoctadec-10-enoic acid", "9(S),12(S),13(S)-Trihydroxy-10(E)-octadecenoic acid", "9,12,13-TriHOME" ] }, { "compound_id": "C14834", "inchi": "InChI=1S/C18H32O4/c1-2-3-7-10-15(19)13-14-17-16(22-17)11-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+", "name": "9,10-Epoxy-13-hydroxy-11-octadecenoate", "names": [ "(11E)-9,10-Epoxyoctadecenoic acid", "9,10-Epoxy-13-hydroxy-11-octadecenoate" ] }, { "compound_id": "C14835", "inchi": "InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+", "name": "9,10,13-TriHOME", "names": [ "(11E)-9,10,13-Trihydroxyoctadec-11-enoic acid", "9,10,13-TriHOME", "9,10,13-Trihydroxyoctadec-11-enoic acid" ] }, { "compound_id": "C14836", "inchi": "InChI=1S/C18H32O4/c1-2-3-7-10-14-16(21-14)13-17-15(22-17)11-8-5-4-6-9-12-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)", "name": "9,10-12,13-Diepoxyoctadecanoate", "names": [ "9,10-12,13-Diepoxyoctadecanoate", "9,10-12,13-Diepoxyoctadecanoic acid" ] }, { "compound_id": "C14837", "inchi": "InChI=1S/C18H34O5/c1-2-3-7-11-16-17(23-16)13-15(20)14(19)10-8-5-4-6-9-12-18(21)22/h14-17,19-20H,2-13H2,1H3,(H,21,22)", "name": "9,10-Dihydroxy-12,13-epoxyoctadecanoate", "names": [ "9,10-Dihydroxy-12,13-epoxyoctadecanoate", "9,10-Dihydroxy-12,13-epoxyoctadecanoic acid" ] }, { "compound_id": "C14838", "inchi": "InChI=1S/C18H13ClN2O2S/c19-13-5-7-14(8-6-13)21-17(22)11-12-9-10-24(23)16-4-2-1-3-15(16)18(12)20-21/h1-8,11H,9-10H2", "name": "Y 23684", "names": [ "2-(4-Chlorophenyl)-5,6-dihydro-[1]benzothepino[5,4-c]pyridazin-3(2H)-one-7-oxide", "Y 23684" ] }, { "compound_id": "C14839", "inchi": "InChI=1S/C6H5BrO/c7-4-1-2-5-6(3-4)8-5/h1-3,5-6H", "name": "Bromobenzene-3,4-oxide", "names": [ "Bromobenzene-3,4-epoxide", "Bromobenzene-3,4-oxide" ] }, { "compound_id": "C14840", "inchi": "InChI=1S/C6H5BrO/c7-4-2-1-3-5-6(4)8-5/h1-3,5-6H", "name": "Bromobenzene-2,3-oxide", "names": [ "Bromobenzene-2,3-epoxide", "Bromobenzene-2,3-oxide" ] }, { "compound_id": "C14841", "inchi": "InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H", "name": "2-Bromophenol", "names": [ "2-Bromophenol", "o-Bromophenol" ] }, { "compound_id": "C14842", "inchi": "InChI=1S/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H", "name": "Bromobenzene-2,3-dihydrodiol", "names": [ "3-Bromo-3,5-cyclohexadiene-1,2-diol", "Bromobenzene-2,3-dihydrodiol" ] }, { "compound_id": "C14843", "inchi": "InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H", "name": "4-Bromocatechol", "names": [ "4-Bromocatechol" ] }, { "compound_id": "C14844", "inchi": "InChI=1S/C6H7BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H", "name": "Bromobenzene-3,4-dihydrodiol", "names": [ "4-Bromo-3,5-cyclohexadiene-1,2-diol", "Bromobenzene-3,4-dihydrodiol" ] }, { "compound_id": "C14845", "inchi": "InChI=1S/C6H5BrO2/c7-3-1-2-4(8)6-5(3)9-6/h1-2,5-6,8H", "name": "4-Bromophenol-2,3-epoxide", "names": [ "4-Bromophenol-2,3-epoxide" ] }, { "compound_id": "C14846", "inchi": "InChI=1S/C6H3BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3H", "name": "4-Bromo-3,5-cyclohexadiene-1,2-dione", "names": [ "4-Bromo-1,2-benzoquinone", "4-Bromo-3,5-cyclohexadiene-1,2-dione" ] }, { "compound_id": "C14847", "inchi": "InChI=1S/C16H22BrN3O7S/c17-8-1-3-12(11(21)5-8)28-7-10(15(25)19-6-14(23)24)20-13(22)4-2-9(18)16(26)27/h1,3,5,9-12,21H,2,4,6-7,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t9-,10-,11?,12?/m0/s1", "name": "3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene", "names": [ "3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene" ] }, { "compound_id": "C14848", "inchi": "InChI=1S/C16H22BrN3O7S/c17-8-2-1-3-11(21)14(8)28-7-10(15(25)19-6-13(23)24)20-12(22)5-4-9(18)16(26)27/h1-3,9-11,14,21H,4-7,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t9-,10-,11?,14?/m0/s1", "name": "2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene", "names": [ "2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene" ] }, { "compound_id": "C14849", "inchi": "InChI=1S/C20H12O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-10,16,20H", "name": "Benzo[a]pyrene-9,10-oxide", "names": [ "Benzo[a]pyrene-9,10-epoxide", "Benzo[a]pyrene-9,10-oxide" ] }, { "compound_id": "C14850", "inchi": "InChI=1S/C20H12O/c1-2-11-4-5-13-10-16-14(8-9-17-20(16)21-17)15-7-6-12(3-1)18(11)19(13)15/h1-10,17,20H", "name": "Benzo[a]pyrene-7,8-oxide", "names": [ "Benzo[a]pyrene-7,8-epoxide", "Benzo[a]pyrene-7,8-oxide" ] }, { "compound_id": "C14851", "inchi": "InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H", "name": "Benzo[a]pyrene-4,5-oxide", "names": [ "Benzo[a]pyrene-4,5-epoxide", "Benzo[a]pyrene-4,5-oxide" ] }, { "compound_id": "C14852", "inchi": "InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H", "name": "Benzo[a]pyrene-7,8-diol", "names": [ "Benzo[a]pyrene-7,8-dihydrodiol", "Benzo[a]pyrene-7,8-diol" ] }, { "compound_id": "C14853", "inchi": "InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H", "name": "Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide", "names": [ "7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene 9,10-oxide", "Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide" ] }, { "compound_id": "C14854", "inchi": "InChI=1S/C20H12O2/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19-20(16)22-19/h1-9,19-21H", "name": "9-Hydroxybenzo[a]pyrene-4,5-oxide", "names": [ "9-Hydroxybenzo[a]pyrene-4,5-epoxide", "9-Hydroxybenzo[a]pyrene-4,5-oxide" ] }, { "compound_id": "C14855", "inchi": "InChI=1S/C30H29N3O7S/c31-21(30(39)40)10-11-23(34)33-22(29(38)32-13-24(35)36)14-41-28-20-12-16-4-1-2-6-17(16)18-9-8-15-5-3-7-19(27(28)37)25(15)26(18)20/h1-9,12,21-22,27-28,37H,10-11,13-14,31H2,(H,32,38)(H,33,34)(H,35,36)(H,39,40)/t21-,22-,27?,28?/m0/s1", "name": "4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene", "names": [ "4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene" ] }, { "compound_id": "C14856", "inchi": "InChI=1S/C30H29N3O7S/c31-21(30(39)40)9-11-24(34)33-22(29(38)32-13-25(35)36)14-41-23-10-8-18-19-7-6-16-3-1-2-15-4-5-17(27(19)26(15)16)12-20(18)28(23)37/h1-8,10,12,21-23,28,37H,9,11,13-14,31H2,(H,32,38)(H,33,34)(H,35,36)(H,39,40)/t21-,22-,23?,28?/m0/s1", "name": "7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene", "names": [ "7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene" ] }, { "compound_id": "C14857", "inchi": "InChI=1S/C2H2Cl2O/c3-2(4)1-5-2/h1H2", "name": "1,1-Dichloroethylene epoxide", "names": [ "1,1-Dichloroethylene epoxide", "2,2-Dichlorooxirane" ] }, { "compound_id": "C14858", "inchi": "InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H", "name": "2,2-Dichloroacetaldehyde", "names": [ "2,2-Dichloroacetaldehyde" ] }, { "compound_id": "C14859", "inchi": "InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2", "name": "Chloroacetyl chloride", "names": [ "Chloroacetyl chloride" ] }, { "compound_id": "C14860", "inchi": "InChI=1S/C2H4Cl2O2/c3-1(4)2(5)6/h1-2,5-6H", "name": "2,2-Dichloro-1,1-ethanediol", "names": [ "2,2-Dichloro-1,1-ethanediol" ] }, { "compound_id": "C14861", "inchi": "InChI=1S/C12H19Cl2N3O7S/c13-9(14)12(24)25-4-6(10(21)16-3-8(19)20)17-7(18)2-1-5(15)11(22)23/h5-6,9,12,24H,1-4,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t5-,6-,12?/m0/s1", "name": "S-(2,2-Dichloro-1-hydroxy)ethyl glutathione", "names": [ "S-(2,2-Dichloro-1-hydroxy)ethyl glutathione" ] }, { "compound_id": "C14862", "inchi": "InChI=1S/C12H19N3O8S/c13-6(12(22)23)1-2-8(16)15-7(4-24-5-10(19)20)11(21)14-3-9(17)18/h6-7H,1-5,13H2,(H,14,21)(H,15,16)(H,17,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1", "name": "2-S-Glutathionyl acetate", "names": [ "2-S-Glutathionyl acetate", "S-(Carboxymethyl)glutathione" ] }, { "compound_id": "C14863", "inchi": "InChI=1S/C22H34N6O13S2/c23-10(21(38)39)1-3-14(29)27-12(19(36)25-5-16(31)32)7-42-9-18(35)43-8-13(20(37)26-6-17(33)34)28-15(30)4-2-11(24)22(40)41/h10-13H,1-9,23-24H2,(H,25,36)(H,26,37)(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,38,39)(H,40,41)/t10-,11-,12-,13-/m0/s1", "name": "2-(S-Glutathionyl)acetyl glutathione", "names": [ "2-(S-Glutathionyl)acetyl glutathione" ] }, { "compound_id": "C14864", "inchi": "InChI=1S/C12H18ClN3O7S/c13-3-10(20)24-5-7(11(21)15-4-9(18)19)16-8(17)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,17)(H,18,19)(H,22,23)/t6-,7-/m0/s1", "name": "S-(2-Chloroacetyl)glutathione", "names": [ "S-(2-Chloroacetyl)glutathione" ] }, { "compound_id": "C14865", "inchi": "InChI=1S/C12H18ClN3O7S/c13-8(17)5-24-4-7(11(21)15-3-10(19)20)16-9(18)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1", "name": "2-(S-Glutathionyl)acetyl chloride", "names": [ "2-(S-Glutathionyl)acetyl chloride" ] }, { "compound_id": "C14866", "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H", "name": "Chloral", "names": [ "Chloral", "Trichloroacetaldehyde" ] }, { "compound_id": "C14867", "inchi": "InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H", "name": "Dichloroacetyl chloride", "names": [ "Dichloroacetyl chloride" ] }, { "compound_id": "C14868", "inchi": "InChI=1S/C12H17Cl2N3O6S/c13-3-8(14)24-5-7(11(21)16-4-10(19)20)17-9(18)2-1-6(15)12(22)23/h3,6-7H,1-2,4-5,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/b8-3-/t6-,7-/m0/s1", "name": "S-(1,2-Dichlorovinyl)glutathione", "names": [ "DCVG", "S-(1,2-Dichlorovinyl)glutathione" ] }, { "compound_id": "C14869", "inchi": "InChI=1S/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1", "name": "Trichloroethanol glucuronide", "names": [ "2,2,2-Trichloroethyl beta-D-glucopyranosiduronic acid", "Trichloroethanol glucuronide", "Urochloralic acid" ] }, { "compound_id": "C14870", "inchi": "InChI=1S/C2H3BrO/c3-1-2-4/h2H,1H2", "name": "2-Bromoacetaldehyde", "names": [ "2-Bromoacetaldehyde" ] }, { "compound_id": "C14871", "inchi": "InChI=1S/C12H19N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h3,7-8H,1-2,4-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1", "name": "S-(Formylmethyl)glutathione", "names": [ "S-(Formylmethyl)glutathione" ] }, { "compound_id": "C14872", "inchi": "InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)", "name": "Thiodiacetic acid", "names": [ "Thiodiacetic acid" ] }, { "compound_id": "C14873", "inchi": "InChI=1S/C4H6O5S/c5-3(6)1-10(9)2-4(7)8/h1-2H2,(H,5,6)(H,7,8)", "name": "Thiodiacetic acid sulfoxide", "names": [ "Thiodiacetic acid sulfoxide" ] }, { "compound_id": "C14874", "inchi": "InChI=1S/C12H19N3O6S/c13-7(12(20)21)1-2-9(16)15-8(6-22-3-4-22)11(19)14-5-10(17)18/h7-8H,1-6,13H2,(H3-,14,15,16,17,18,19,20,21)/p+1/t7-,8-/m0/s1", "name": "Glutathione episulfonium ion", "names": [ "Glutathione episulfonium ion" ] }, { "compound_id": "C14875", "inchi": "InChI=1S/C12H21N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h7-8,16H,1-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1", "name": "S-(2-Hydroxyethyl)glutathione", "names": [ "S-(2-Hydroxyethyl)glutathione" ] }, { "compound_id": "C14876", "inchi": "InChI=1S/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1", "name": "S-(2-Hydroxyethyl)-N-acetyl-L-cysteine", "names": [ "S-(2-Hydroxyethyl)-N-acetyl-L-cysteine" ] }, { "compound_id": "C14877", "inchi": "InChI=1S/C12H16N6O4S/c1-6(19)15-7(11(21)22)4-23-3-2-18-5-14-9-8(18)10(20)17-12(13)16-9/h5,7H,2-4H2,1H3,(H,15,19)(H,21,22)(H3,13,16,17,20)/t7-/m0/s1", "name": "S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine", "names": [ "S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine" ] }, { "compound_id": "C14878", "inchi": "InChI=1S/C21H36O2/c1-13-11-15-16(19(2)8-5-14(22)12-18(13)19)6-9-20(3)17(15)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14-,15+,16-,17-,18+,19+,20-,21-/m0/s1", "name": "6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol", "names": [ "6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol" ] }, { "compound_id": "C14879", "inchi": "InChI=1S/C25H36O/c1-23-13-10-18(17-6-4-5-7-17)16-19(23)8-9-20-21(23)11-14-24(2)22(20)12-15-25(24,3)26/h4-7,19-22,26H,8-16H2,1-3H3/t19-,20+,21-,22-,23-,24-,25-/m0/s1", "name": "17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol", "names": [ "17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol" ] }, { "compound_id": "C14880", "inchi": "InChI=1S/C27H34O5/c1-16(28)27-23(31-26(4,32-27)22-6-5-13-30-22)15-21-19-8-7-17-14-18(29)9-11-24(17,2)20(19)10-12-25(21,27)3/h5-6,13-14,19-21,23H,7-12,15H2,1-4H3/t19-,20+,21+,23-,24+,25+,26?,27-/m1/s1", "name": "16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone", "names": [ "16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone" ] }, { "compound_id": "C14881", "inchi": "InChI=1S/C21H30O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h13,15-18H,2-12H2,1H3/t13-,15-,16+,17+,18-,20-,21+/m0/s1", "name": "17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone", "names": [ "17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone" ] }, { "compound_id": "C14882", "inchi": "InChI=1S/C20H34O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-18,21-22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,18+,19+,20+/m1/s1", "name": "2alpha-Methyl-5alpha-androstane-3alpha,17beta-diol", "names": [ "2alpha-Methyl-5alpha-androstane-3alpha,17beta-diol" ] }, { "compound_id": "C14883", "inchi": "InChI=1S/C20H33FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12-16,22-24H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,17-,18-,19-,20-/m0/s1", "name": "(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol", "names": [ "(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol", "9-Fluoro-17alpha-methyl-5alpha-androstane-3beta,11beta,17-triol" ] }, { "compound_id": "C14884", "inchi": "InChI=1S/C17H23NO3/c1-3-21-17(19)13-4-7-16-15-6-5-14(20-2)10-12(15)8-9-18(16)11-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3/t13-,16+/m1/s1", "name": "cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester", "names": [ "cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester" ] }, { "compound_id": "C14885", "inchi": "InChI=1S/C20H25FO3/c1-11-8-15-14-5-4-12-9-13(22)6-7-19(12,3)20(14,21)16(23)10-18(15,2)17(11)24/h6-7,9,11,14-16,23H,4-5,8,10H2,1-3H3/t11-,14-,15-,16-,18-,19-,20-/m0/s1", "name": "9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione", "names": [ "9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione" ] }, { "compound_id": "C14886", "inchi": "InChI=1S/C19H25FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-16H,3-8,10H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1", "name": "16beta-Fluoroandrost-4-ene-3,17-dione", "names": [ "16beta-Fluoroandrost-4-ene-3,17-dione" ] }, { "compound_id": "C14887", "inchi": "InChI=1S/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h6,8,10,14-17,22-23H,4-5,7,9,11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1", "name": "11alpha,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one", "names": [ "11alpha,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one" ] }, { "compound_id": "C14888", "inchi": "InChI=1S/C17H20O3/c1-4-15(17(2,3)16(19)20)13-6-5-12-10-14(18)8-7-11(12)9-13/h5-10,15,18H,4H2,1-3H3,(H,19,20)/t15-/m1/s1", "name": "(+)-Methallenestrilphenol", "names": [ "(+)-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid", "(+)-Methallenestrilphenol", "(+)-beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid" ] }, { "compound_id": "C14889", "inchi": "InChI=1S/C21H31FO3/c1-12(23)25-19-7-6-15-14-5-4-13-10-18(24)17(22)11-21(13,3)16(14)8-9-20(15,19)2/h13-17,19H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-,21-/m0/s1", "name": "5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate", "names": [ "(2beta,5alpha,17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one", "5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate" ] }, { "compound_id": "C14890", "inchi": "InChI=1S/C20H30O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16,18,22H,4-10H2,1-3H3/t12-,14+,15+,16+,18+,19-,20+/m1/s1", "name": "17beta-Hydroxy-6beta-methylandrost-4-en-3-one", "names": [ "17beta-Hydroxy-6beta-methylandrost-4-en-3-one", "6beta-Methyltestosterone" ] }, { "compound_id": "C14891", "inchi": "InChI=1S/C20H30O3/c1-18-7-4-13(21)10-12(18)11-16(22)17-14(18)5-8-19(2)15(17)6-9-20(19,3)23/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1", "name": "7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one", "names": [ "7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one", "7alpha-Hydroxy-17alpha-methyltestosterone" ] }, { "compound_id": "C14892", "inchi": "InChI=1S/C21H28O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,5,7,13,17-19,22-23H,1,4,6,8-12H2,2H3/t17-,18-,19+,20+,21+/m1/s1", "name": "17-Allylestra-1,3,5(10)-triene-3,17beta-diol", "names": [ "17-Allylestra-1,3,5(10)-triene-3,17beta-diol" ] }, { "compound_id": "C14893", "inchi": "InChI=1S/C20H13ClN2/c21-17-11-9-15(10-12-17)18(14-22)20(16-6-2-1-3-7-16)19-8-4-5-13-23-19/h1-13H/b20-18-", "name": "2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile", "names": [ "2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile" ] }, { "compound_id": "C14894", "inchi": "InChI=1S/C18H18O6/c1-22-12-7-4-11(5-8-12)6-9-13(19)16-14(20)10-15(23-2)17(21)18(16)24-3/h4-10,20-21H,1-3H3/b9-6+", "name": "3',6'-Dihydroxy-2',4,4'-trimethoxy-chalcone", "names": [ "1-(3,6-Dihydroxy-2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one", "3',6'-Dihydroxy-2',4,4'-trimethoxy-chalcone" ] }, { "compound_id": "C14895", "inchi": "InChI=1S/C23H28O10/c1-26-14-11-15(27-2)19(29-4)18(28-3)12(14)9-10-13(24)16-17(25)21(31-6)23(33-8)22(32-7)20(16)30-5/h9-11,25H,1-8H3/b10-9+", "name": "1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one", "names": [ "1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one" ] }, { "compound_id": "C14896", "inchi": "InChI=1S/C17H19NO2/c1-18-16(4-3-5-17(18)19)14-7-6-13-11-15(20-2)9-8-12(13)10-14/h3-5,8-9,11,14H,6-7,10H2,1-2H3", "name": "1-Methyl-6-(1,2,3,4-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone", "names": [ "1-Methyl-6-(1,2,3,4-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone" ] }, { "compound_id": "C14897", "inchi": "InChI=1S/C17H16O2/c1-19-17-9-6-14-10-13(2-3-15(14)11-17)12-4-7-16(18)8-5-12/h4-11,18H,2-3H2,1H3", "name": "p-(3,4-Dihydro-6-methoxy-2-naphthyl)phenol", "names": [ "p-(3,4-Dihydro-6-methoxy-2-naphthyl)phenol" ] }, { "compound_id": "C14898", "inchi": "InChI=1S/C16H18O2/c17-15-6-3-11(4-7-15)12-1-2-14-10-16(18)8-5-13(14)9-12/h3-4,6-7,10,12-13,17H,1-2,5,8-9H2", "name": "4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone", "names": [ "4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone" ] }, { "compound_id": "C14899", "inchi": "InChI=1S/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-3,5,7-8,10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,5-/m0/s1", "name": "3-Dehydro-L-gulonate 6-phosphate", "names": [ "3-Dehydro-L-gulonate 6-phosphate" ] }, { "compound_id": "C14900", "inchi": "InChI=1S/C16H17NO2/c1-19-14-8-7-11-9-13(6-5-12(11)10-14)15-3-2-4-16(18)17-15/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,17,18)", "name": "6-(1,2,3,4-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone", "names": [ "6-(1,2,3,4-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone" ] }, { "compound_id": "C14901", "inchi": "InChI=1S/C16H17NO2/c1-17-15(3-2-4-16(17)19)13-6-5-12-10-14(18)8-7-11(12)9-13/h2-4,7-8,10,13,18H,5-6,9H2,1H3", "name": "1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone", "names": [ "1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone" ] }, { "compound_id": "C14902", "inchi": "InChI=1S/C15H15NO2/c17-13-7-6-10-8-12(5-4-11(10)9-13)14-2-1-3-15(18)16-14/h1-3,6-7,9,12,17H,4-5,8H2,(H,16,18)", "name": "6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone", "names": [ "6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone" ] }, { "compound_id": "C14903", "inchi": "InChI=1S/C15H11NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-9,17-18H/b13-9+", "name": "2,3-Bis(p-hydroxyphenyl)acrylonitrile", "names": [ "2,3-Bis(p-hydroxyphenyl)acrylonitrile" ] }, { "compound_id": "C14904", "inchi": "InChI=1S/C15H12N2O/c1-18-15-6-4-13(5-7-15)14(10-16)9-12-3-2-8-17-11-12/h2-9,11H,1H3/b14-9+", "name": "alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile", "names": [ "alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile" ] }, { "compound_id": "C14905", "inchi": "InChI=1S/C14H12Cl2O/c15-11-7-5-10(6-8-11)13(9-17)12-3-1-2-4-14(12)16/h1-8,13,17H,9H2", "name": "2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol", "names": [ "2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol" ] }, { "compound_id": "C14906", "inchi": "InChI=1S/C20H32O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h8,14-18,21H,4-7,9-12H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1", "name": "(5alpha,17beta)-3-Methyl-androst-2-en-17-ol", "names": [ "(5alpha,17beta)-3-Methyl-androst-2-en-17-ol" ] }, { "compound_id": "C14907", "inchi": "InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h5,7,9,13-17,21-22H,3-4,6,8,10H2,1-2H3/t13-,14-,15+,16-,17-,18-,19-/m0/s1", "name": "7alpha,17beta-Dihydroxyandrosta-1,4-dien-3-one", "names": [ "7alpha,17beta-Dihydroxyandrosta-1,4-dien-3-one" ] }, { "compound_id": "C14908", "inchi": "InChI=1S/C17H23NO3/c1-4-11-10-18-6-5-12-7-16(20-2)17(21-3)8-13(12)14(18)9-15(11)19/h7-8,11,14H,4-6,9-10H2,1-3H3", "name": "3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one", "names": [ "3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one" ] }, { "compound_id": "C14909", "inchi": "InChI=1S/C19H24O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h7-8,11,14-15,22H,3-6,9-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1", "name": "9alpha-Hydroxyandrosta-1,4-diene-3,17-dione", "names": [ "9alpha-Hydroxyandrosta-1,4-diene-3,17-dione" ] }, { "compound_id": "C14910", "inchi": "InChI=1S/C20H28F2O2/c1-17-9-8-16(23)20(21,22)15(17)5-4-12-13(17)6-10-18(2)14(12)7-11-19(18,3)24/h5,12-14,24H,4,6-11H2,1-3H3/t12-,13+,14+,17-,18+,19+/m1/s1", "name": "4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one", "names": [ "4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one" ] }, { "compound_id": "C14911", "inchi": "InChI=1S/C18H28O3/c1-17-8-7-14-12(13(17)5-6-15(17)19)4-3-11-9-16(20)21-10-18(11,14)2/h11-15,19H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17-,18-/m0/s1", "name": "17beta-Hydroxy-2-oxa-5alpha-androstan-3-one", "names": [ "17beta-Hydroxy-2-oxa-5alpha-androstan-3-one" ] }, { "compound_id": "C14912", "inchi": "InChI=1S/C19H28O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h12,14-16H,3-11H2,1-2H3/t12-,14+,15-,16-,18-,19-/m0/s1", "name": "1,2,4,5-Tetrahydrotestolactone", "names": [ "1,2,4,5-Tetrahydrotestolactone", "D-Homo-17a-oxa-5alpha-androstane-3,17-dione" ] }, { "compound_id": "C14913", "inchi": "InChI=1S/C20H30O4/c1-12(21)23-16-7-5-14-13-4-6-17-20(3,11-9-18(22)24-17)15(13)8-10-19(14,16)2/h13-17H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,19-,20+/m0/s1", "name": "17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate", "names": [ "17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate" ] }, { "compound_id": "C14914", "inchi": "InChI=1S/C23H36Cl3N/c1-22-9-7-17(26)15-16(22)3-4-18-19-5-6-21(27(13-11-24)14-12-25)23(19,2)10-8-20(18)22/h3,17-21H,4-15H2,1-2H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1", "name": "3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine", "names": [ "3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine" ] }, { "compound_id": "C14915", "inchi": "InChI=1S/C24H34O/c1-23-13-11-17(16-5-3-4-6-16)15-18(23)7-8-19-20-9-10-22(25)24(20,2)14-12-21(19)23/h3-6,18-22,25H,7-15H2,1-2H3/t18-,19-,20-,21-,22-,23-,24-/m0/s1", "name": "3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol", "names": [ "3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol" ] }, { "compound_id": "C14916", "inchi": "InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)", "name": "Nirvanol", "names": [ "Nirvanol" ] }, { "compound_id": "C14917", "inchi": "InChI=1S/C20H23NO3S/c1-18-10-17(24)20(25-11-21)15(14(18)5-6-16(18)23)4-3-12-9-13(22)7-8-19(12,20)2/h9,14-15H,3-8,10H2,1-2H3/t14-,15-,18-,19-,20-/m0/s1", "name": "9-Thiocyanato-androst-4-ene-3,11,17-trione", "names": [ "9-Thiocyanato-androst-4-ene-3,11,17-trione" ] }, { "compound_id": "C14918", "inchi": "InChI=1S/C22H29BrO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-17,19H,5-9,11H2,1-4H3/t12-,16+,17+,19-,20+,21+,22+/m1/s1", "name": "9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione", "names": [ "9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione" ] }, { "compound_id": "C14919", "inchi": "InChI=1S/C22H36O3/c1-20-12-14(13-25-4)19(23)11-15(20)5-6-16-17(20)7-9-21(2)18(16)8-10-22(21,3)24/h14-18,24H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,20-,21-,22-/m0/s1", "name": "17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one", "names": [ "17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one" ] }, { "compound_id": "C14920", "inchi": "InChI=1S/C15H11NO3/c1-9(17)16-10-6-7-12-11-4-2-3-5-13(11)15(18)19-14(12)8-10/h2-8H,1H3,(H,16,17)", "name": "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)acetamide", "names": [ "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)acetamide" ] }, { "compound_id": "C14921", "inchi": "InChI=1S/C17H17NO2/c1-14(19)12-17(20)18(16-10-6-3-7-11-16)13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3", "name": "3-Oxo-N-phenyl-N-(phenylmethyl)butanamide", "names": [ "3-Oxo-N-phenyl-N-(phenylmethyl)butanamide" ] }, { "compound_id": "C14922", "inchi": "InChI=1S/C23H32O4S/c1-12(24)17-11-18(27)21-20-16(6-8-23(17,21)4)22(3)7-5-15(26)9-14(22)10-19(20)28-13(2)25/h9,16-21,27H,5-8,10-11H2,1-4H3/t16-,17+,18+,19+,20-,21-,22-,23+/m0/s1", "name": "15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate", "names": [ "15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate" ] }, { "compound_id": "C14923", "inchi": "InChI=1S/C22H31ClO3/c1-13(24)17-6-7-18-16-5-4-14-10-15(25)8-9-20(14,2)19(16)11-22(26,12-23)21(17,18)3/h10,16-19,26H,4-9,11-12H2,1-3H3/t16-,17+,18-,19-,20-,21+,22-/m0/s1", "name": "12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione", "names": [ "12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione" ] }, { "compound_id": "C14924", "inchi": "InChI=1S/C25H32O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5-6,10,18,20,22H,7-9,11-14H2,1-4H3/t18-,20-,22+,24-,25-/m0/s1", "name": "3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate", "names": [ "3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate" ] }, { "compound_id": "C14925", "inchi": "InChI=1S/C20H28O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h10-11,14-16,18,22H,4-9H2,1-3H3/t14-,15-,16-,18-,19-,20-/m0/s1", "name": "17beta-Hydroxy-2-methylandrost-1,4-dien-3-one", "names": [ "17beta-Hydroxy-2-methylandrost-1,4-dien-3-one" ] }, { "compound_id": "C14926", "inchi": "InChI=1S/C23H31NO3/c1-23-7-6-17-18(20(23)4-5-22(23)26)3-2-15-13-21(25)16(12-19(15)17)14-24-8-10-27-11-9-24/h12-13,17-18,20,25H,2-11,14H2,1H3/t17-,18+,20-,23-/m0/s1", "name": "3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one", "names": [ "2-Morpholinomethylestrone", "3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one" ] }, { "compound_id": "C14927", "inchi": "InChI=1S/C14H11NO4S/c1-20(17,18)15-9-6-7-13-12(8-9)10-4-2-3-5-11(10)14(16)19-13/h2-8,15H,1H3", "name": "N-(6-Oxo-6H-dibenzo[b,d]pyran-2-yl)methanesulfonamide", "names": [ "N-(6-Oxo-6H-dibenzo[b,d]pyran-2-yl)methanesulfonamide" ] }, { "compound_id": "C14928", "inchi": "InChI=1S/C28H44N2O2/c1-20(31)32-22-11-13-27(2)21(19-22)7-8-23-24-9-10-26(28(24,3)14-12-25(23)27)29-15-6-18-30-16-4-5-17-30/h7,22-25H,4-6,8-19H2,1-3H3/b29-26+/t22-,23-,24-,25-,27-,28-/m0/s1", "name": "17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3beta-ol acetate", "names": [ "17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3beta-ol acetate" ] }, { "compound_id": "C14929", "inchi": "InChI=1S/C20H30O3/c1-19-8-6-13(21)10-12(19)4-5-14-15(19)7-9-20(2)16(14)11-17(23-3)18(20)22/h10,14-18,22H,4-9,11H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+/m1/s1", "name": "17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one", "names": [ "17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one" ] }, { "compound_id": "C14930", "inchi": "InChI=1S/C20H26O3/c1-19-8-6-13(23-3)10-12(19)11-16(21)18-14-4-5-17(22)20(14,2)9-7-15(18)19/h10-11,14-15,18H,4-9H2,1-3H3/t14-,15-,18-,19-,20-/m0/s1", "name": "3-Methoxy-androsta-3,5-diene-7,17-dione", "names": [ "3-Methoxy-androsta-3,5-diene-7,17-dione" ] }, { "compound_id": "C14931", "inchi": "InChI=1S/C23H34O3/c1-4-5-11-23(25)14-20-19-8-6-15-13-16(26-3)7-9-17(15)18(19)10-12-22(20,2)21(23)24/h7,9,13,18-21,24-25H,4-6,8,10-12,14H2,1-3H3/t18-,19-,20+,21-,22+,23+/m1/s1", "name": "16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol", "names": [ "16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol" ] }, { "compound_id": "C14932", "inchi": "InChI=1S/C19H30O2/c1-18-10-4-3-5-12(18)6-7-13-14-8-9-16(21)19(14,2)11-15(20)17(13)18/h12-15,17,20H,3-11H2,1-2H3/t12-,13+,14+,15+,17-,18+,19+/m1/s1", "name": "11beta-Hydroxy-5alpha-androstan-17-one", "names": [ "11beta-Hydroxy-5alpha-androstan-17-one" ] }, { "compound_id": "C14933", "inchi": "InChI=1S/C22H36O/c1-4-12-22(23)15-11-19-17-9-8-16-7-5-6-13-20(16,2)18(17)10-14-21(19,22)3/h5-6,16-19,23H,4,7-15H2,1-3H3/t16-,17-,18+,19+,20+,21+,22+/m1/s1", "name": "17-Propyl-5alpha-androst-2-en-17beta-ol", "names": [ "17-Propyl-5alpha-androst-2-en-17beta-ol" ] }, { "compound_id": "C14934", "inchi": "InChI=1S/C22H32O3/c1-4-10-22(24)13-19-18-7-5-14-12-15(25-3)6-8-16(14)17(18)9-11-21(19,2)20(22)23/h6,8,12,17-20,23-24H,4-5,7,9-11,13H2,1-3H3/t17-,18-,19+,20-,21+,22+/m1/s1", "name": "16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol", "names": [ "16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol" ] }, { "compound_id": "C14935", "inchi": "InChI=1S/C19H20O4/c1-3-17(14-5-4-6-15(11-14)19(22)23)18(12(2)20)13-7-9-16(21)10-8-13/h4-11,17-18,21H,3H2,1-2H3,(H,22,23)", "name": "m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid", "names": [ "m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid" ] }, { "compound_id": "C14936", "inchi": "InChI=1S/C16H12ClNO/c1-19-16-7-5-13(6-8-16)14(11-18)9-12-3-2-4-15(17)10-12/h2-10H,1H3/b14-9+", "name": "2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile", "names": [ "2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile" ] }, { "compound_id": "C14937", "inchi": "InChI=1S/C23H39NO3/c1-14(25)17-6-7-18-16-12-20(24(4)5)23(27)13-15(26)8-11-22(23,3)19(16)9-10-21(17,18)2/h15-20,26-27H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,21+,22+,23-/m0/s1", "name": "6beta-(Dimethylamino)-3beta,5-dihydroxy-5alpha-pregnan-20-one", "names": [ "6beta-(Dimethylamino)-3beta,5-dihydroxy-5alpha-pregnan-20-one" ] }, { "compound_id": "C14938", "inchi": "InChI=1S/C14H15ClN2/c1-2-17(14-5-3-4-10-16-14)11-12-6-8-13(15)9-7-12/h3-10H,2,11H2,1H3", "name": "N-[(4-Chlorophenyl)methyl]-N-ethyl-2-pyridinamine", "names": [ "N-[(4-Chlorophenyl)methyl]-N-ethyl-2-pyridinamine" ] }, { "compound_id": "C14939", "inchi": "InChI=1S/C22H32O4/c1-12-9-15-16-6-8-22(26,13(2)23)21(16,4)11-18(25)19(15)20(3)7-5-14(24)10-17(12)20/h10,12,15-16,18-19,25-26H,5-9,11H2,1-4H3/t12-,15-,16-,18-,19+,20-,21-,22-/m0/s1", "name": "11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione", "names": [ "11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione", "6alpha-Methyl-11beta,17alpha-dihydroxyprogesterone" ] }, { "compound_id": "C14940", "inchi": "InChI=1S/C19H20O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-8,13,20H,9H2,1-4H3", "name": "2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", "names": [ "2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" ] }, { "compound_id": "C14941", "inchi": null, "name": "Pyrethrins", "names": [ "Pyrethrins", "Pyrethrum" ] }, { "compound_id": "C14942", "inchi": "InChI=1S/C22H24O9/c1-24-13-10-16(26-3)15(25-2)8-11(13)14-9-12(23)17-18(27-4)20(28-5)22(30-7)21(29-6)19(17)31-14/h8-10H,1-7H3", "name": "2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", "names": [ "2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" ] }, { "compound_id": "C14943", "inchi": "InChI=1S/C21H22O8/c1-23-11-7-8-14(24-2)12(9-11)15-10-13(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3", "name": "2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", "names": [ "2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" ] }, { "compound_id": "C14944", "inchi": "InChI=1S/C21H22O8/c1-23-12-7-11(8-13(9-12)24-2)15-10-14(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3", "name": "2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", "names": [ "2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" ] }, { "compound_id": "C14945", "inchi": "InChI=1S/C20H30O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,15-18,21-22H,4,6-11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1", "name": "3-Methoxy-16-methyl-estra-2,5(10)-diene-16beta,17beta-diol", "names": [ "3-Methoxy-16-methyl-estra-2,5(10)-diene-16beta,17beta-diol" ] }, { "compound_id": "C14946", "inchi": "InChI=1S/C19H24O4/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)17(13)15(21)10-16(22)23-19/h5,7,9,13-15,17,21H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,17-,18+,19+/m1/s1", "name": "1-Dehydro-15alpha-hydroxytestololactone", "names": [ "1-Dehydro-15alpha-hydroxytestololactone" ] }, { "compound_id": "C14947", "inchi": "InChI=1S/C25H34O4/c1-5-12-25(29-17(3)27)14-11-23-22-8-6-18-15-19(28-16(2)26)7-9-20(18)21(22)10-13-24(23,25)4/h7,9,15,21-23H,5-6,8,10-14H2,1-4H3/t21-,22-,23+,24+,25+/m1/s1", "name": "17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate", "names": [ "17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate" ] }, { "compound_id": "C14948", "inchi": "InChI=1S/C21H22O7/c1-6-27-13-9-7-12(8-10-13)15-11-14(22)16-17(23-2)19(24-3)21(26-5)20(25-4)18(16)28-15/h7-11H,6H2,1-5H3", "name": "2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", "names": [ "2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" ] }, { "compound_id": "C14949", "inchi": "InChI=1S/C20H11Cl2NO2/c21-17-6-3-7-18(22)16(17)11-23-12-8-9-14-13-4-1-2-5-15(13)20(24)25-19(14)10-12/h1-11H/b23-11+", "name": "3-[(2,6-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one", "names": [ "3-[(2,6-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one" ] }, { "compound_id": "C14950", "inchi": "InChI=1S/C20H11Cl2NO2/c21-13-6-5-12(18(22)9-13)11-23-14-7-8-16-15-3-1-2-4-17(15)20(24)25-19(16)10-14/h1-11H/b23-11+", "name": "3-[(2,4-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one", "names": [ "3-[(2,4-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one" ] }, { "compound_id": "C14951", "inchi": "InChI=1S/C20H12ClNO2/c21-18-8-4-1-5-13(18)12-22-14-9-10-16-15-6-2-3-7-17(15)20(23)24-19(16)11-14/h1-12H/b22-12+", "name": "3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one", "names": [ "3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one" ] }, { "compound_id": "C14952", "inchi": "InChI=1S/C13H9NO2/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7H,14H2", "name": "3-Amino-6H-dibenzo[b,d]pyran-6-one", "names": [ "3-Amino-6H-dibenzo[b,d]pyran-6-one" ] }, { "compound_id": "C14953", "inchi": "InChI=1S/C22H24O9/c1-24-14-8-11(9-15(25-2)17(14)26-3)13-10-12(23)16-18(27-4)20(28-5)22(30-7)21(29-6)19(16)31-13/h8-10H,1-7H3", "name": "2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", "names": [ "2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" ] }, { "compound_id": "C14954", "inchi": "InChI=1S/C22H32O3/c1-14(23)25-16-7-10-20(2)15(13-16)5-6-17-18(20)8-11-21(3)19(17)9-12-22(21,4)24/h5-6,13,16-19,24H,7-12H2,1-4H3/t16-,17+,18-,19-,20-,21-,22-/m0/s1", "name": "17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate", "names": [ "17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate" ] }, { "compound_id": "C14955", "inchi": "InChI=1S/C22H28O3S/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1", "name": "17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate", "names": [ "17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate" ] }, { "compound_id": "C14956", "inchi": "InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-17,21H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,19+,20+/m1/s1", "name": "3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one", "names": [ "2alpha-Methylandrosterone", "3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one" ] }, { "compound_id": "C14957", "inchi": "InChI=1S/C21H29ClO3/c1-12(23)25-13-4-5-16-14-8-9-20(2)17(6-7-19(20)24)15(14)10-18(22)21(16,3)11-13/h13,15,17-18H,4-11H2,1-3H3/t13-,15+,17-,18+,20-,21+/m0/s1", "name": "3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one", "names": [ "3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one" ] }, { "compound_id": "C14958", "inchi": "InChI=1S/C19H31NO/c1-18-9-7-14(21)12-13(18)5-6-15-16(18)8-10-19(2)17(15)4-3-11-20-19/h5,14-17,20-21H,3-4,6-12H2,1-2H3/t14-,15+,16-,17-,18-,19-/m0/s1", "name": "17a-Aza-D-homoandrost-5-en-3beta-ol", "names": [ "17a-Aza-D-homoandrost-5-en-3beta-ol" ] }, { "compound_id": "C14959", "inchi": "InChI=1S/C25H26O2/c1-25-14-5-8-23(25)22-11-9-18-16-19(10-12-20(18)21(22)13-15-25)27-24(26)17-6-3-2-4-7-17/h2-7,10,12,14,16,21-23H,8-9,11,13,15H2,1H3/t21-,22-,23+,25+/m1/s1", "name": "Estra-1,3,5(10),16-tetraen-3-ol benzoate", "names": [ "Estra-1,3,5(10),16-tetraen-3-ol benzoate" ] }, { "compound_id": "C14960", "inchi": "InChI=1S/C19H32O2S2/c1-17-7-6-14-12(13(17)3-4-15(17)21)5-8-19(23)10-11(20)9-16(22)18(14,19)2/h11-16,20-23H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,16+,17+,18+,19-/m1/s1", "name": "1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol", "names": [ "1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol" ] }, { "compound_id": "C14961", "inchi": "InChI=1S/C20H32O3/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(20)23/h12-17,21-22H,3-11H2,1-2H3/t12-,13+,14+,15-,16+,17+,19+,20+/m1/s1", "name": "3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one", "names": [ "3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one" ] }, { "compound_id": "C14962", "inchi": "InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h7,10,14,16-18,23H,4-6,8-9,11-13H2,1-3H3/t14-,16+,17-,18-,19-,20-,21-/m0/s1", "name": "17-Hydroxy-5alpha,17alpha-pregn-1-en-3-one", "names": [ "17-Hydroxy-5alpha,17alpha-pregn-1-en-3-one" ] }, { "compound_id": "C14963", "inchi": "InChI=1S/C21H20O8/c1-11(22)28-13-8-6-12(7-9-13)15-10-14(23)16-17(24-2)19(25-3)21(27-5)20(26-4)18(16)29-15/h6-10H,1-5H3", "name": "2-[4-(Acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", "names": [ "2-[4-(Acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" ] }, { "compound_id": "C14964", "inchi": "InChI=1S/C22H32O3/c1-12-20(25)19-16(18-8-7-17(13(2)23)22(12,18)4)6-5-14-11-15(24)9-10-21(14,19)3/h11-12,16-20,25H,5-10H2,1-4H3/t12-,16-,17+,18-,19+,20+,21-,22+/m0/s1", "name": "11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-3,20-dione", "names": [ "11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-3,20-dione" ] }, { "compound_id": "C14965", "inchi": "InChI=1S/C14H11NO4S/c1-20(17,18)15-9-6-7-11-10-4-2-3-5-12(10)14(16)19-13(11)8-9/h2-8,15H,1H3", "name": "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)methanesulfonamide", "names": [ "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)methanesulfonamide" ] }, { "compound_id": "C14966", "inchi": "InChI=1S/C23H39NO3/c1-22-9-7-17(27)15-16(22)3-4-18-19-5-6-21(24(11-13-25)12-14-26)23(19,2)10-8-20(18)22/h3,17-21,25-27H,4-15H2,1-2H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1", "name": "17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol", "names": [ "17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol" ] }, { "compound_id": "C14967", "inchi": "InChI=1S/C14H9BrCl2/c15-9-13(10-5-7-11(16)8-6-10)12-3-1-2-4-14(12)17/h1-9H/b13-9-", "name": "1-[2-Bromo-1-(4-chlorophenyl)ethenyl]-2-chlorobenzene", "names": [ "1-[2-Bromo-1-(4-chlorophenyl)ethenyl]-2-chlorobenzene" ] }, { "compound_id": "C14968", "inchi": "InChI=1S/C26H34O/c1-17(27)22-10-11-23-21-9-8-20-16-19(18-6-4-5-7-18)12-14-25(20,2)24(21)13-15-26(22,23)3/h4-7,16,21-24H,8-15H2,1-3H3/t21-,22+,23-,24-,25-,26+/m0/s1", "name": "3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one", "names": [ "3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one" ] }, { "compound_id": "C14969", "inchi": "InChI=1S/C17H16O6/c1-21-14-8-13-15(17(22-2)16(14)20)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-6,8,12,18,20H,7H2,1-2H3", "name": "2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", "names": [ "2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", "4',6-Dihydroxy-5,7-dimethoxyflavanone" ] }, { "compound_id": "C14970", "inchi": "InChI=1S/C20H34O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h12-18,21-23H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-,20-/m0/s1", "name": "2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol", "names": [ "2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol" ] }, { "compound_id": "C14971", "inchi": "InChI=1S/C15H8F3NO3/c16-15(17,18)14(21)19-8-5-6-10-9-3-1-2-4-11(9)13(20)22-12(10)7-8/h1-7H,(H,19,21)", "name": "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-2,2,2-trifluoroacetamide", "names": [ "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-2,2,2-trifluoroacetamide" ] }, { "compound_id": "C14972", "inchi": "InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1", "name": "3-Deoxyestrone", "names": [ "3-Deoxyestrone", "Adopron", "Estra-1,3,5(10)-trien-17-one" ] }, { "compound_id": "C14973", "inchi": "InChI=1S/C22H32O3S/c1-4-19(25)26-17-12-13-11-14(23)7-9-21(13,2)16-8-10-22(3)15(20(16)17)5-6-18(22)24/h11,15-18,20,24H,4-10,12H2,1-3H3/t15-,16-,17+,18-,20-,21-,22-/m0/s1", "name": "17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate", "names": [ "17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate", "S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate" ] }, { "compound_id": "C14974", "inchi": "InChI=1S/C22H30O4/c1-13(23)26-20-21(2)10-9-17-16-8-6-15(25-4)11-14(16)5-7-18(17)19(21)12-22(20,3)24/h6,8,11,17-20,24H,5,7,9-10,12H2,1-4H3/t17-,18-,19+,20-,21+,22+/m1/s1", "name": "3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate", "names": [ "3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate" ] }, { "compound_id": "C14975", "inchi": "InChI=1S/C19H32O2/c1-18-9-7-14(20)12-13(18)5-6-15-16(18)8-10-19(2)17(15)4-3-11-21-19/h13-17,20H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,18-,19-/m0/s1", "name": "D-Homo-17a-oxa-5alpha-androstan-3beta-ol", "names": [ "D-Homo-17a-oxa-5alpha-androstan-3beta-ol" ] }, { "compound_id": "C14976", "inchi": "InChI=1S/C22H34O3/c1-21-10-8-16(24)12-15(21)6-7-17-18-5-3-4-14(9-11-23)22(18,2)13-19(25)20(17)21/h9,15-18,20,23-24H,3-8,10-13H2,1-2H3/b14-9+/t15-,16-,17+,18+,20-,21+,22-/m1/s1", "name": "3alpha,21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one", "names": [ "3alpha,21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one" ] }, { "compound_id": "C14977", "inchi": "InChI=1S/C21H36O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1", "name": "2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol", "names": [ "2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol" ] }, { "compound_id": "C14978", "inchi": "InChI=1S/C21H34O3/c1-20-9-8-17-15(16(20)6-7-19(20)23)5-4-14-10-18(22)13(12-24-3)11-21(14,17)2/h13-17,19,23H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-,21-/m0/s1", "name": "17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one", "names": [ "17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one" ] }, { "compound_id": "C14979", "inchi": "InChI=1S/C24H40O/c1-23-13-11-17(16-5-3-4-6-16)15-18(23)7-8-19-20-9-10-22(25)24(20,2)14-12-21(19)23/h16-22,25H,3-15H2,1-2H3/t17-,18-,19-,20-,21-,22-,23-,24-/m0/s1", "name": "3beta-Cyclopentyl-5alpha-androstan-17beta-ol", "names": [ "3beta-Cyclopentyl-5alpha-androstan-17beta-ol" ] }, { "compound_id": "C14980", "inchi": "InChI=1S/C20H30O3/c1-12-10-17-15-5-4-13-11-14(21)6-8-19(13,2)16(15)7-9-20(17,3)23-18(12)22/h12-13,15-17H,4-11H2,1-3H3/t12-,13-,15+,16-,17-,19-,20-/m0/s1", "name": "16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-3,17-dione", "names": [ "16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-3,17-dione" ] }, { "compound_id": "C14981", "inchi": "InChI=1S/C21H33FO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1", "name": "3beta-Fluoro-5beta-pregnan-20-one", "names": [ "3beta-Fluoro-5beta-pregnan-20-one" ] }, { "compound_id": "C14982", "inchi": "InChI=1S/C21H36O2/c1-13-11-15-16(19(2)8-5-14(22)12-18(13)19)6-9-20(3)17(15)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,18-,19-,20+,21+/m1/s1", "name": "6beta,17-Dimethyl-5alpha-androstane-3beta,17beta-diol", "names": [ "6beta,17-Dimethyl-5alpha-androstane-3beta,17beta-diol" ] }, { "compound_id": "C14983", "inchi": "InChI=1S/C19H26O4/c1-18-7-5-11(20)9-15(18)16(21)10-12-13(18)6-8-19(2)14(12)3-4-17(22)23-19/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13+,14+,16-,18-,19+/m1/s1", "name": "6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione", "names": [ "6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione" ] }, { "compound_id": "C14984", "inchi": "InChI=1S/C21H30O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h13,15-18H,2-12H2,1H3/t13-,15+,16-,17-,18+,20+,21-/m1/s1", "name": "17-Hydroxy-3-oxo-19-nor-5beta,17alpha-pregnane-21-carboxylic acid, gamma-lactone", "names": [ "17-Hydroxy-3-oxo-19-nor-5beta,17alpha-pregnane-21-carboxylic acid, gamma-lactone" ] }, { "compound_id": "C14985", "inchi": "InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)17(20)18(16)23-3/h4-9,20H,1-3H3", "name": "6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", "names": [ "6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", "6-Hydroxy-4',5,7-trimethoxyflavone" ] }, { "compound_id": "C14986", "inchi": "InChI=1S/C18H16O6/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-9,19H,1-3H3", "name": "2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", "names": [ "2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", "4'-Hydroxy-5,6,7-trimethoxyflavone" ] }, { "compound_id": "C14987", "inchi": "InChI=1S/C16H30O4/c17-14-12-11-13(16(14)20)9-7-5-3-1-2-4-6-8-10-15(18)19/h13-14,16-17,20H,1-12H2,(H,18,19)", "name": "2,3-Dihydroxycyclopentaneundecanoic acid", "names": [ "2,3-Dihydroxycyclopentaneundecanoic acid" ] }, { "compound_id": "C14988", "inchi": "InChI=1S/C18H23NO4/c1-18-9-8-11-10-4-6-15(20)17(19(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1", "name": "4-Nitroestra-1,3,5(10)-triene-3,17beta-diol", "names": [ "4-Nitroestra-1,3,5(10)-triene-3,17beta-diol", "4-Nitroestradiol" ] }, { "compound_id": "C14990", "inchi": "InChI=1S/C27H40O7/c1-16(28)33-19-14-23(2)18(5-6-20(23)25(4)29-9-10-30-25)17-13-21-27(34-21)15-26(31-11-12-32-26)8-7-24(27,3)22(17)19/h17-22H,5-15H2,1-4H3/t17-,18-,19+,20-,21-,22+,23-,24+,27-/m0/s1", "name": "Cyclic-3,20-bis(1,2-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha,6alpha-epoxypregnane-3,20-dione", "names": [ "Cyclic-3,20-bis(1,2-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha,6alpha-epoxypregnane-3,20-dione" ] }, { "compound_id": "C14991", "inchi": "InChI=1S/C24H38O3/c1-21(2)19-7-6-16-15(22(19,3)11-10-20(21)27)8-12-24(5)17(18(26)14-25)9-13-23(16,24)4/h17,19-20,25,27H,6-14H2,1-5H3/t17-,19+,20+,22-,23+,24-/m1/s1", "name": "3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one", "names": [ "3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one" ] }, { "compound_id": "C14992", "inchi": "InChI=1S/C21H26O4S/c1-12(22)25-14-8-9-20(3)13(10-14)4-5-16-15-6-7-17(23)19(15,2)11-18(24)21(16,20)26/h4,10,15-16,26H,5-9,11H2,1-3H3/t15-,16-,19-,20-,21-/m0/s1", "name": "3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione", "names": [ "3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione" ] }, { "compound_id": "C14993", "inchi": null, "name": "Nonylphenol", "names": [ "Nonylphenol" ] }, { "compound_id": "C14994", "inchi": "InChI=1S/C27H42O3/c1-4-5-6-7-8-9-15-27(29)18-24-23-12-10-19-17-20(30-3)11-13-21(19)22(23)14-16-26(24,2)25(27)28/h11,13,17,22-25,28-29H,4-10,12,14-16,18H2,1-3H3/t22-,23-,24+,25-,26+,27+/m1/s1", "name": "3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol", "names": [ "3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol" ] }, { "compound_id": "C14995", "inchi": "InChI=1S/C21H30O3/c1-4-21(23)12-18-17-7-5-13-11-14(24-3)6-8-15(13)16(17)9-10-20(18,2)19(21)22/h6,8,11,16-19,22-23H,4-5,7,9-10,12H2,1-3H3/t16-,17-,18+,19-,20+,21+/m1/s1", "name": "3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol", "names": [ "3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol" ] }, { "compound_id": "C14996", "inchi": "InChI=1S/C17H32O3/c1-14(18)10-8-6-4-2-3-5-7-9-11-15-12-13-16(19)17(15)20/h15-17,19-20H,2-13H2,1H3", "name": "12-(2,3-Dihydroxycyclopentyl)-2-dodecanone", "names": [ "12-(2,3-Dihydroxycyclopentyl)-2-dodecanone" ] }, { "compound_id": "C14997", "inchi": "InChI=1S/C18H18O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)17(20)18(16)23-3/h4-7,9,13,20H,8H2,1-3H3", "name": "2,3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", "names": [ "2,3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", "6-Hydroxy-4',5,7-trimethoxyflavanone" ] }, { "compound_id": "C14998", "inchi": "InChI=1S/C22H32N2O/c1-21-9-7-15(25)11-14(21)3-4-16-17-5-6-19(20-12-23-13-24-20)22(17,2)10-8-18(16)21/h3,12-13,15-19,25H,4-11H2,1-2H3,(H,23,24)/t15-,16-,17-,18-,19+,21-,22-/m0/s1", "name": "17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol", "names": [ "17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol" ] }, { "compound_id": "C14999", "inchi": "InChI=1S/C20H26O3/c1-13(21)23-20-11-7-15(22)12-14(20)5-6-16-17-4-3-9-19(17,2)10-8-18(16)20/h7,11-12,16-18H,3-6,8-10H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1", "name": "10-Hydroxyestra-1,4-dien-3-one acetate", "names": [ "10-Hydroxyestra-1,4-dien-3-one acetate" ] }, { "compound_id": "C15000", "inchi": "InChI=1S/C25H30O3/c1-24-12-10-18(26)14-17(24)15-19-20-8-9-22(25(20,2)13-11-21(19)24)28-23(27)16-6-4-3-5-7-16/h3-7,14,19-22H,8-13,15H2,1-2H3/t19-,20-,21-,22-,24-,25-/m0/s1", "name": "17beta-(Benzoyloxy)-B-norandrost-4-en-3-one", "names": [ "17beta-(Benzoyloxy)-B-norandrost-4-en-3-one" ] }, { "compound_id": "C15001", "inchi": "InChI=1S/C22H32O3/c1-14(24)25-17-6-9-22(3)16(11-17)4-5-18-19(22)7-8-21(2)12-15(13-23)10-20(18)21/h12-13,16-20H,4-11H2,1-3H3/t16-,17-,18+,19-,20-,21+,22-/m0/s1", "name": "3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde", "names": [ "3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde" ] }, { "compound_id": "C15002", "inchi": "InChI=1S/C21H30O4/c1-11(22)15-9-16(24)18-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3/t14-,15+,16-,17+,18+,19+,20-,21+/m0/s1", "name": "11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione", "names": [ "11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione" ] }, { "compound_id": "C15003", "inchi": "InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h16-18,22H,3-12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1", "name": "17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one", "names": [ "17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one" ] }, { "compound_id": "C15004", "inchi": "InChI=1S/C19H27ClO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-17,22H,3-8,10H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1", "name": "16beta-Chloro-17beta-hydroxyandrost-4-en-3-one", "names": [ "16beta-Chloro-17beta-hydroxyandrost-4-en-3-one", "16beta-Chlorotestosterone" ] }, { "compound_id": "C15005", "inchi": "InChI=1S/C18H25NO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9,19H2,1H3/t11-,12-,14+,16+,18+/m1/s1", "name": "4-Aminoestra-1,3,5(10)-triene-3,17beta-diol", "names": [ "4-Aminoestra-1,3,5(10)-triene-3,17beta-diol" ] }, { "compound_id": "C15006", "inchi": "InChI=1S/C18H25NO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7,19H2,1H3/t11-,12+,14-,17-,18-/m0/s1", "name": "2-Aminoestra-1,3,5(10)-triene-3,17beta-diol", "names": [ "2-Aminoestra-1,3,5(10)-triene-3,17beta-diol", "2-Aminoestradiol" ] }, { "compound_id": "C15007", "inchi": "InChI=1S/C18H23NO4/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19(22)23)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1", "name": "2-Nitroestra-1,3,5(10)-triene-3,17beta-diol", "names": [ "2-Nitroestra-1,3,5(10)-triene-3,17beta-diol", "2-Nitroestradiol" ] }, { "compound_id": "C15008", "inchi": "InChI=1S/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3", "name": "1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol", "names": [ "1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol" ] }, { "compound_id": "C15009", "inchi": "InChI=1S/C22H30O4/c1-4-19(25)26-18-8-7-16-15-6-5-13-11-14(23)9-10-21(13,2)20(15)17(24)12-22(16,18)3/h11,15-16,18,20H,4-10,12H2,1-3H3/t15-,16-,18-,20+,21-,22-/m0/s1", "name": "17beta-Hydroxyandrost-4-ene-3,11-dione propionate", "names": [ "17beta-Hydroxyandrost-4-ene-3,11-dione propionate" ] }, { "compound_id": "C15010", "inchi": "InChI=1S/C19H25ClO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-16H,3-8,10H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1", "name": "16beta-Chloroandrost-4-ene-3,17-dione", "names": [ "16beta-Chloroandrost-4-ene-3,17-dione" ] }, { "compound_id": "C15011", "inchi": "InChI=1S/C21H32O3/c1-12-9-14-15-6-8-21(4,24)20(15,3)11-17(23)18(14)19(2)7-5-13(22)10-16(12)19/h10,12,14-15,17-18,23-24H,5-9,11H2,1-4H3/t12-,14-,15-,17-,18+,19-,20-,21-/m0/s1", "name": "11beta,17beta-Dihydroxy-6alpha,17-dimethylandrost-4-en-3-one", "names": [ "11beta,17beta-Dihydroxy-6alpha,17-dimethylandrost-4-en-3-one" ] }, { "compound_id": "C15012", "inchi": "InChI=1S/C21H32O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h12,14-17,23H,5-11H2,1-4H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1", "name": "17beta-Hydroxy-2,17-dimethyl-5alpha-androst-1-en-3-one", "names": [ "17beta-Hydroxy-2,17-dimethyl-5alpha-androst-1-en-3-one" ] }, { "compound_id": "C15013", "inchi": "InChI=1S/C25H39NO2/c1-16(27)20-8-9-21-19-7-6-17-14-18(26-12-4-5-13-26)10-11-24(17,2)23(19)22(28)15-25(20,21)3/h17-21,23H,4-15H2,1-3H3/t17-,18-,19-,20+,21-,23+,24-,25+/m0/s1", "name": "3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione", "names": [ "3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione" ] }, { "compound_id": "C15014", "inchi": "InChI=1S/C21H25NO3/c1-3-10-25-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22-24)20(21)23/h3,5,7,11,16-18,24H,1,4,6,8-10,12H2,2H3/b22-19+/t16-,17-,18+,21+/m1/s1", "name": "3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime", "names": [ "3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime" ] }, { "compound_id": "C15015", "inchi": "InChI=1S/C21H30O4/c1-20-8-7-15-13(14(20)5-6-16(20)19(25)11-22)4-3-12-9-17(23)18(24)10-21(12,15)2/h9,13-16,18,22,24H,3-8,10-11H2,1-2H3/t13-,14-,15-,16+,18-,20-,21-/m0/s1", "name": "2beta,21-Dihydroxypregn-4-ene-3,20-dione", "names": [ "2beta,21-Dihydroxypregn-4-ene-3,20-dione" ] }, { "compound_id": "C15016", "inchi": "InChI=1S/C20H28O/c1-3-14-5-9-19-18-7-4-13-12-15(21)6-8-16(13)17(18)10-11-20(14,19)2/h3,12,16-19H,4-11H2,1-2H3/b14-3+/t16-,17+,18+,19-,20+/m0/s1", "name": "19-Norpregna-4,17(20)-dien-3-one", "names": [ "19-Norpregna-4,17(20)-dien-3-one" ] }, { "compound_id": "C15017", "inchi": "InChI=1S/C20H30O2/c1-19-10-9-17-15(16(19)7-8-18(19)22)6-5-14-4-3-13(12-21)11-20(14,17)2/h3,12,14-18,22H,4-11H2,1-2H3/t14-,15+,16+,17+,18+,19+,20+/m1/s1", "name": "17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde", "names": [ "17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde" ] }, { "compound_id": "C15018", "inchi": "InChI=1S/C18H21NO4/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19(22)23)9-13(10)11/h8-9,11-12,14,20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1", "name": "3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one", "names": [ "2-Nitroestrone", "3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one" ] }, { "compound_id": "C15019", "inchi": "InChI=1S/C18H18O6/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-7,9,13,19H,8H2,1-3H3", "name": "2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", "names": [ "2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", "4'-Hydroxy-5,6,7-trimethoxyflavanone" ] }, { "compound_id": "C15020", "inchi": "InChI=1S/C19H26O/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h5,7,11-12,16-18,20H,3-4,6,8-10H2,1-2H3/t12-,16+,17+,18-,19+/m0/s1", "name": "17beta-Methylestra-1,3,5(10)-trien-3-ol", "names": [ "17beta-Methylestra-1,3,5(10)-trien-3-ol" ] }, { "compound_id": "C15021", "inchi": "InChI=1S/C30H30N2/c1-31(2)27-19-15-25(16-20-27)30(26-17-21-28(22-18-26)32(3)4)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-22H,1-4H3", "name": "4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]", "names": [ "4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]" ] }, { "compound_id": "C15022", "inchi": "InChI=1S/C21H32O3/c1-12-10-19(2)13(9-16(12)22)5-6-14-15-7-8-21(4,24)20(15,3)11-17(23)18(14)19/h9,12,14-15,17-18,23-24H,5-8,10-11H2,1-4H3/t12-,14+,15+,17-,18-,19+,20+,21+/m1/s1", "name": "11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one", "names": [ "11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one" ] }, { "compound_id": "C15023", "inchi": "InChI=1S/C21H29ClO3/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1", "name": "19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate", "names": [ "19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate" ] }, { "compound_id": "C15024", "inchi": "InChI=1S/C19H27ClO2/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1", "name": "19-Chloro-17beta-hydroxyandrost-4-en-3-one", "names": [ "19-Chloro-17beta-hydroxyandrost-4-en-3-one" ] }, { "compound_id": "C15025", "inchi": "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1", "name": "(S)-Carnitine", "names": [ "(S)-Carnitine", "D-Carnitine" ] }, { "compound_id": "C15026", "inchi": "InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1", "name": "L-365260", "names": [ "L-365260", "N-[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea" ] }, { "compound_id": "C15027", "inchi": "InChI=1S/C27H26O5/c1-17(28)31-22-14-15-23-24(16-22)32-27(2,3)26(19-8-12-21(30-5)13-9-19)25(23)18-6-10-20(29-4)11-7-18/h6-16H,1-5H3", "name": "2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate", "names": [ "2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate" ] }, { "compound_id": "C15028", "inchi": "InChI=1S/C21H21NO/c1-2-21(23,18-13-7-4-8-14-18)20(17-11-5-3-6-12-17)19-15-9-10-16-22-19/h3-16,20,23H,2H2,1H3", "name": "alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol", "names": [ "alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol" ] }, { "compound_id": "C15029", "inchi": "InChI=1S/C22H26O3/c1-13(23)19-7-8-20-17-12-21(25-4)18-11-14(24-3)5-6-15(18)16(17)9-10-22(19,20)2/h5-6,11-12,19-20H,7-10H2,1-4H3/t19-,20+,22-/m1/s1", "name": "3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one", "names": [ "3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one" ] }, { "compound_id": "C15030", "inchi": "InChI=1S/C22H26O4/c1-22-10-9-15-14-6-5-13(24-2)11-17(14)20(25-3)12-16(15)18(22)7-8-19(22)21(23)26-4/h5-6,11-12,18-19H,7-10H2,1-4H3/t18-,19+,22-/m0/s1", "name": "3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester", "names": [ "3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester" ] }, { "compound_id": "C15031", "inchi": "InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H", "name": "2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one", "names": [ "2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one", "5,6,7,8,4'-Pentahydroxyflavone", "Nortangeretin" ] }, { "compound_id": "C15032", "inchi": "InChI=1S/C14H19NO3/c1-17-13-4-2-12(3-5-13)14(16)6-7-15-8-10-18-11-9-15/h2-5H,6-11H2,1H3", "name": "1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone", "names": [ "1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone", "4'-Methoxy-3-morpholino-propiophenone" ] }, { "compound_id": "C15033", "inchi": "InChI=1S/C21H30N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h10,12,15-17,24H,4-9,11H2,1-3H3,(H,22,23)/t15-,16+,17+,19+,20+,21+/m1/s1", "name": "Hydroxystenozole", "names": [ "17alpha-Methyl-2'H-androsta-2,4-dieno[3,2-c]pyrazol-17beta-ol", "Hydroxystenozole" ] }, { "compound_id": "C15034", "inchi": "InChI=1S/C21H30O5/c1-20-6-5-12(23)7-11(20)3-4-13-14-8-15(24)19(17(26)10-22)21(14,2)9-16(25)18(13)20/h7,13-16,18-19,22,24-25H,3-6,8-10H2,1-2H3/t13-,14-,15+,16-,18+,19+,20-,21-/m0/s1", "name": "16alpha-Hydroxycorticosterone", "names": [ "11beta,16alpha,21-Trihydroxypregn-4-ene-3,20-dione", "16alpha-Hydroxycorticosterone" ] }, { "compound_id": "C15035", "inchi": "InChI=1S/C20H32O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h12-16,18,21,23H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-,20-/m0/s1", "name": "17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one", "names": [ "17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one" ] }, { "compound_id": "C15036", "inchi": "InChI=1S/C20H30O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,19+,20+/m1/s1", "name": "2alpha-Methyl-5alpha-androstane-3,17-dione", "names": [ "2alpha-Methyl-5alpha-androstane-3,17-dione" ] }, { "compound_id": "C15037", "inchi": "InChI=1S/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,27,30-31H,14-15H2", "name": "Oplophorus luciferin", "names": [ "8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-[1,2a]pyrazin-3(7H)-one", "Coelenterazine", "Oplophorus luciferin" ] }, { "compound_id": "C15038", "inchi": "InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)", "name": "Oxidized Oplophorus luciferin", "names": [ "Coelenteramide", "Oxidized Oplophorus luciferin" ] }, { "compound_id": "C15039", "inchi": "InChI=1S/C16H14N2O/c1-19-16-7-5-13(6-8-16)14(11-17)9-12-3-2-4-15(18)10-12/h2-10H,18H2,1H3/b14-9+", "name": "3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile", "names": [ "3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile" ] }, { "compound_id": "C15040", "inchi": "InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3", "name": "GYKI 52466", "names": [ "4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine", "GYKI 52466" ] }, { "compound_id": "C15041", "inchi": "InChI=1S/C20H32O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h4,13-17,21-23H,5-11H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20-/m0/s1", "name": "17-Methylandrost-5-ene-3beta,11beta,17beta-triol", "names": [ "17-Methylandrost-5-ene-3beta,11beta,17beta-triol" ] }, { "compound_id": "C15042", "inchi": "InChI=1S/C12H10N2O/c15-12-5-2-10(3-6-12)1-4-11-9-13-7-8-14-11/h1-9,15H/b4-1+", "name": "4-(2-Pyrazinylethenyl)phenol", "names": [ "4-(2-Pyrazinylethenyl)phenol" ] }, { "compound_id": "C15043", "inchi": "InChI=1S/C15H15NO/c1-2-12(13-7-9-16-10-8-13)11-14-5-3-4-6-15(14)17/h3-11,17H,2H2,1H3/b12-11+", "name": "2-[2-(4-Pyridinyl)-1-butenyl]phenol", "names": [ "2-[2-(4-Pyridinyl)-1-butenyl]phenol" ] }, { "compound_id": "C15044", "inchi": "InChI=1S/C17H19NO2/c1-4-13(14-8-10-18-11-9-14)12-15-6-5-7-16(19-2)17(15)20-3/h5-12H,4H2,1-3H3/b13-12+", "name": "2,3-Dimethoxy-[2-(4-Pyridinyl)-1-butenyl]phenol", "names": [ "2,3-Dimethoxy-[2-(4-Pyridinyl)-1-butenyl]phenol", "4-[1-[(2,3-Dimethoxyphenyl)methylene]propyl]pyridine" ] }, { "compound_id": "C15045", "inchi": "InChI=1S/C15H14ClN/c1-2-13(14-7-9-17-10-8-14)11-12-3-5-15(16)6-4-12/h3-11H,2H2,1H3/b13-11+", "name": "4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol", "names": [ "4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol", "4-[1-[(4-Chlorophenyl)methylene]propyl]pyridine" ] }, { "compound_id": "C15046", "inchi": "InChI=1S/C25H34O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h6,8,19-20,22-23H,1,7,9-14H2,2-5H3/t19-,20-,22-,23-,24-,25+/m0/s1", "name": "Pregna-5,16,20-triene-3beta,20-diol diacetate", "names": [ "Pregna-5,16,20-triene-3beta,20-diol diacetate" ] }, { "compound_id": "C15047", "inchi": "InChI=1S/C21H36O2/c1-18-11-6-5-7-14(18)8-9-15-16-10-12-21(4,23)19(16,2)13-20(3,22)17(15)18/h14-17,22-23H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,19+,20+,21+/m1/s1", "name": "11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol", "names": [ "11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol" ] }, { "compound_id": "C15048", "inchi": "InChI=1S/C16H11NO4/c1-10(18)20-13-5-4-11-7-14(12-3-2-6-17-9-12)16(19)21-15(11)8-13/h2-9H,1H3", "name": "7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one", "names": [ "7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one" ] }, { "compound_id": "C15049", "inchi": "InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3", "name": "(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone", "names": [ "(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone", "2-Butyl-3-(4-hydroxybenzoyl)benzofuran" ] }, { "compound_id": "C15050", "inchi": "InChI=1S/C23H24O5/c1-6-19-20-12-11-18(27-15(3)25)13-21(20)28-23(4,5)22(19)16-7-9-17(10-8-16)26-14(2)24/h7-13H,6H2,1-5H3", "name": "2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate", "names": [ "2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate", "4-Ethyl-3-(p-hydroxyphenyl)-2,2-dimethyl-2H-1-benzopyran-7-ol diacetate" ] }, { "compound_id": "C15051", "inchi": "InChI=1S/C19H18O4/c1-3-4-16-15-10-7-13(20)11-17(15)23-19(21)18(16)12-5-8-14(22-2)9-6-12/h5-11,20H,3-4H2,1-2H3", "name": "7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one", "names": [ "7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one", "7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin" ] }, { "compound_id": "C15052", "inchi": "InChI=1S/C17H14O4/c1-10-14-8-5-12(18)9-15(14)21-17(19)16(10)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3", "name": "7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin", "names": [ "7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one", "7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin" ] }, { "compound_id": "C15053", "inchi": "InChI=1S/C23H26O4/c1-6-7-20-19-13-12-18(26-15(2)24)14-21(19)27-23(3,4)22(20)16-8-10-17(25-5)11-9-16/h8-14H,6-7H2,1-5H3", "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate", "names": [ "2,2-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate" ] }, { "compound_id": "C15054", "inchi": "InChI=1S/C20H22O3/c1-5-16-17-11-8-14(21)12-18(17)23-20(2,3)19(16)13-6-9-15(22-4)10-7-13/h6-12,21H,5H2,1-4H3", "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol", "names": [ "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol" ] }, { "compound_id": "C15055", "inchi": "InChI=1S/C22H24O4/c1-6-18-19-12-11-17(25-14(2)23)13-20(19)26-22(3,4)21(18)15-7-9-16(24-5)10-8-15/h7-13H,6H2,1-5H3", "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate", "names": [ "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate" ] }, { "compound_id": "C15056", "inchi": "InChI=1S/C20H19FO3/c1-12-17-10-9-16(23-13(2)22)11-18(17)24-20(3,4)19(12)14-5-7-15(21)8-6-14/h5-11H,1-4H3", "name": "2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate", "names": [ "2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate" ] }, { "compound_id": "C15057", "inchi": "InChI=1S/C24H36O3/c1-5-22(25)27-21-10-9-19-18-8-7-16-15-17(26-6-2)11-13-23(16,3)20(18)12-14-24(19,21)4/h7,15,18-21H,5-6,8-14H2,1-4H3/t18-,19-,20-,21-,23-,24-/m0/s1", "name": "3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate", "names": [ "3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate" ] }, { "compound_id": "C15058", "inchi": "InChI=1S/C20H34O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-18,21-22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17-,18+,19+,20+/m1/s1", "name": "2alpha-Methyl-5alpha-androstane-3beta,17beta-diol", "names": [ "2alpha-Methyl-5alpha-androstane-3beta,17beta-diol" ] }, { "compound_id": "C15059", "inchi": "InChI=1S/C21H22O4/c1-13-18-11-10-17(24-14(2)22)12-19(18)25-21(3,4)20(13)15-6-8-16(23-5)9-7-15/h6-12H,1-5H3", "name": "2,2,4-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate", "names": [ "2,2,4-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate" ] }, { "compound_id": "C15060", "inchi": "InChI=1S/C20H22O3/c1-13-17-11-10-16(22-5)12-18(17)23-20(2,3)19(13)14-6-8-15(21-4)9-7-14/h6-12H,1-5H3", "name": "7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran", "names": [ "7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran" ] }, { "compound_id": "C15061", "inchi": "InChI=1S/C27H34O4/c1-6-8-16-27(17-9-7-2)26(21-10-12-22(29-5)13-11-21)19(3)24-15-14-23(30-20(4)28)18-25(24)31-27/h10-15,18H,6-9,16-17H2,1-5H3", "name": "2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate", "names": [ "2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate" ] }, { "compound_id": "C15062", "inchi": "InChI=1S/C20H25NO2/c1-19-9-7-16-15-6-4-14(23-2)11-13(15)3-5-17(16)18(19)8-10-20(19,22)12-21/h4,6,11,16-18,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20-/m1/s1", "name": "17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile", "names": [ "17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile" ] }, { "compound_id": "C15063", "inchi": "InChI=1S/C20H24O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h4,7,9,12,19,21H,3,5-6,8,10-11H2,1-2H3/t19-,20-/m0/s1", "name": "3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol", "names": [ "3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol" ] }, { "compound_id": "C15064", "inchi": "InChI=1S/C22H32O3/c1-14(23)25-13-16-5-7-19-18-6-4-15-12-17(24)8-10-21(15,2)20(18)9-11-22(16,19)3/h12,16,18-20H,4-11,13H2,1-3H3/t16-,18+,19+,20+,21+,22-/m1/s1", "name": "17beta-(Hydroxymethyl)androst-4-en-3-one acetate", "names": [ "17beta-(Hydroxymethyl)androst-4-en-3-one acetate" ] }, { "compound_id": "C15065", "inchi": "InChI=1S/C20H27FO3/c1-11(22)14-6-7-15-16-5-4-12-8-13(23)9-19(12,3)20(16,21)17(24)10-18(14,15)2/h8,14-17,24H,4-7,9-10H2,1-3H3/t14-,15+,16+,17+,18-,19+,20+/m1/s1", "name": "9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione", "names": [ "9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione" ] }, { "compound_id": "C15066", "inchi": "InChI=1S/C24H24O2/c1-5-17-25-21-13-9-19(10-14-21)23(7-3)24(8-4)20-11-15-22(16-12-20)26-18-6-2/h1-2,9-16H,7-8,17-18H2,3-4H3/b24-23+", "name": "alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene", "names": [ "alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene" ] }, { "compound_id": "C15067", "inchi": "InChI=1S/C26H30ClNO2/c1-3-28(4-2)18-19-30-25-16-12-23(13-17-25)26(29,22-8-6-5-7-9-22)20-21-10-14-24(27)15-11-21/h5-17,29H,3-4,18-20H2,1-2H3", "name": "4-Chloro-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha-phenylbenzeneethanol", "names": [ "4-Chloro-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha-phenylbenzeneethanol" ] }, { "compound_id": "C15068", "inchi": "InChI=1S/C20H28O4/c1-12(21)23-16-7-5-14-13-4-6-17-20(3,11-9-18(22)24-17)15(13)8-10-19(14,16)2/h9,11,13-17H,4-8,10H2,1-3H3/t13-,14-,15-,16-,17+,19-,20+/m0/s1", "name": "17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate", "names": [ "17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate" ] }, { "compound_id": "C15069", "inchi": "InChI=1S/C16H18O2/c1-2-3-16(12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,16-18H,2-3H2,1H3", "name": "4,4'-(Butane-1,1-diyl)diphenol", "names": [ "1,1-Bis(4-hydroxyphenyl)butane", "4,4'-(Butane-1,1-diyl)diphenol" ] }, { "compound_id": "C15070", "inchi": "InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16(18(12)13)6-8-19(2)17(15)7-9-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t12?,15-,16+,17+,19+,20+/m1/s1", "name": "17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one", "names": [ "17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one" ] }, { "compound_id": "C15071", "inchi": "InChI=1S/C21H31FO3/c1-12(23)15-4-5-16-14-10-18(22)21(25)11-13(24)6-9-20(21,3)17(14)7-8-19(15,16)2/h14-18,25H,4-11H2,1-3H3/t14-,15+,16-,17-,18+,19+,20+,21-/m0/s1", "name": "6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione", "names": [ "6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione" ] }, { "compound_id": "C15072", "inchi": "InChI=1S/C19H26O3/c1-18-6-5-14-12(13(18)2-3-17(18)21)9-16-15-8-11(20)4-7-19(14,15)10-22-16/h8,12-14,16-17,21H,2-7,9-10H2,1H3/t12-,13-,14-,16+,17-,18-,19-/m0/s1", "name": "6beta,19-Epoxy-17beta-hydroxyandrost-4-en-3-one", "names": [ "6beta,19-Epoxy-17beta-hydroxyandrost-4-en-3-one" ] }, { "compound_id": "C15073", "inchi": "InChI=1S/C20H23ClO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5,12,16-18,22-23H,2,4,6-9H2,1H3/t16-,17-,18+,19+,20-/m1/s1", "name": "17alpha-Chloroethynylestradiol", "names": [ "17alpha-Chloroethynylestradiol", "21-Chloro-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol" ] }, { "compound_id": "C15074", "inchi": "InChI=1S/C19H27FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-17,22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17-,18+,19+/m1/s1", "name": "16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one", "names": [ "16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one" ] }, { "compound_id": "C15075", "inchi": "InChI=1S/C9H9FO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5-6H2", "name": "3-Fluoro-1-(4-hydroxyphenyl)-1-propanone", "names": [ "3-Fluoro-1-(4-hydroxyphenyl)-1-propanone" ] }, { "compound_id": "C15076", "inchi": "InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)13-10-25-14-9-15(22-2)18(23-3)19(24-4)16(14)17(13)20/h5-10H,1-4H3", "name": "3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", "names": [ "3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", "5,6,7,4'-Tetramethoxyisoflavone" ] }, { "compound_id": "C15077", "inchi": "InChI=1S/C15H12O3S/c16-15(13-7-3-1-4-8-13)11-12-19(17,18)14-9-5-2-6-10-14/h1-12H/b12-11+", "name": "1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one", "names": [ "1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one", "3-(Phenylsulfonyl)acrylophenone" ] }, { "compound_id": "C15078", "inchi": "InChI=1S/C19H23NO3/c1-19-8-7-14-13-6-4-12(23-2)9-11(13)3-5-15(14)16(19)10-17(20-22)18(19)21/h4,6,9,14-16,22H,3,5,7-8,10H2,1-2H3/b20-17+/t14-,15-,16+,19+/m1/s1", "name": "3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime", "names": [ "3-Methoxyestra-1,3,5(10)-trien-16-oximino-17-one", "3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime" ] }, { "compound_id": "C15079", "inchi": "InChI=1S/C21H27FO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h6,10,16-18,25H,4-5,7-9,11H2,1-3H3/t16-,17-,18-,19+,20-,21-/m0/s1", "name": "9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione", "names": [ "9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione" ] }, { "compound_id": "C15080", "inchi": "InChI=1S/C26H26O7/c1-29-23-21(22(28)24(30-2)26(32-4)25(23)31-3)20(27)15-12-17-10-13-19(14-11-17)33-16-18-8-6-5-7-9-18/h5-15,28H,16H2,1-4H3/b15-12+", "name": "4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone", "names": [ "4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone" ] }, { "compound_id": "C15081", "inchi": "InChI=1S/C17H23NO3/c1-3-21-17(19)13-4-7-16-15-6-5-14(20-2)10-12(15)8-9-18(16)11-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3/t13-,16-/m0/s1", "name": "trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester", "names": [ "trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester" ] }, { "compound_id": "C15082", "inchi": "InChI=1S/C18H22O/c1-3-17(14-8-6-5-7-9-14)18(4-2)15-10-12-16(19)13-11-15/h5-13,17-19H,3-4H2,1-2H3", "name": "4-(1-Ethyl-2-phenylbutyl)phenol", "names": [ "4-(1-Ethyl-2-phenylbutyl)phenol" ] }, { "compound_id": "C15083", "inchi": "InChI=1S/C14H10Cl2/c1-10(11-6-8-12(15)9-7-11)13-4-2-3-5-14(13)16/h2-9H,1H2", "name": "1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene", "names": [ "1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene" ] }, { "compound_id": "C15084", "inchi": "InChI=1S/C20H14N2/c21-15-18(16-9-3-1-4-10-16)20(17-11-5-2-6-12-17)19-13-7-8-14-22-19/h1-14H/b20-18-", "name": "2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile", "names": [ "2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile" ] }, { "compound_id": "C15085", "inchi": "InChI=1S/C19H26O/c1-12-3-5-16-15(12)7-8-18-17(16)6-4-13-11-14(20)9-10-19(13,18)2/h11,16-18H,3-10H2,1-2H3/t16-,17+,18+,19+/m1/s1", "name": "17-Methyl-18-norandrosta-4,13(17)-dien-3-one", "names": [ "17-Methyl-18-norandrosta-4,13(17)-dien-3-one" ] }, { "compound_id": "C15086", "inchi": "InChI=1S/C21H24N2O3/c1-3-10-26-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22-24)20(21)23-25/h3,5-7,11,16,18,24-25H,1,4,8-10,12H2,2H3/b22-19+,23-20+/t16-,18+,21+/m1/s1", "name": "3-Allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime", "names": [ "3-Allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime" ] }, { "compound_id": "C15087", "inchi": "InChI=1S/C18H19NO3/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19-22)17(18)21/h3-5,8,13,15,20,22H,2,6-7,9H2,1H3/b19-16+/t13-,15+,18+/m1/s1", "name": "3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime", "names": [ "3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime" ] }, { "compound_id": "C15088", "inchi": "InChI=1S/C22H31FO3/c1-4-19(25)26-18-8-7-14-13-5-6-16-20(23)17(24)10-12-21(16,2)15(13)9-11-22(14,18)3/h13-15,18H,4-12H2,1-3H3/t13-,14-,15-,18-,21+,22-/m0/s1", "name": "4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "names": [ "4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "4-Fluorotestosterone propionate" ] }, { "compound_id": "C15089", "inchi": "InChI=1S/C15H15NO4/c1-20-13-4-2-3-11(9-13)7-8-16-10-12(15(18)19)5-6-14(16)17/h2-6,9-10H,7-8H2,1H3,(H,18,19)", "name": "1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid", "names": [ "1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid" ] }, { "compound_id": "C15090", "inchi": "InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h5,9,13,16-18H,3-4,6-8,10-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1", "name": "17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone", "names": [ "17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone" ] }, { "compound_id": "C15091", "inchi": "InChI=1S/C21H29FO3/c1-12-9-16-14-6-8-20(4,25)19(14,3)11-17(24)21(16,22)18(2)7-5-13(23)10-15(12)18/h10,12,14,16,25H,5-9,11H2,1-4H3/t12-,14-,16-,18-,19-,20-,21-/m0/s1", "name": "9-Fluoro-17beta-hydroxy-6alpha,17-dimethylandrost-4-ene-3,11-dione", "names": [ "9-Fluoro-17beta-hydroxy-6alpha,17-dimethylandrost-4-ene-3,11-dione" ] }, { "compound_id": "C15092", "inchi": "InChI=1S/C20H27FO3/c1-11-8-15-14-5-4-12-9-13(22)6-7-19(12,3)20(14,21)16(23)10-18(15,2)17(11)24/h6-7,9,11,14-17,23-24H,4-5,8,10H2,1-3H3/t11-,14+,15+,16+,17+,18+,19+,20+/m1/s1", "name": "9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one", "names": [ "9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one" ] }, { "compound_id": "C15093", "inchi": "InChI=1S/C19H29FO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1", "name": "3beta-Fluoroandrost-5-en-17beta-ol", "names": [ "3beta-Fluoroandrost-5-en-17beta-ol" ] }, { "compound_id": "C15094", "inchi": "InChI=1S/C17H17N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8,10,19H,6,9,18H2,1H3", "name": "GYKI 52895", "names": [ "4-(8,9-Dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine", "GYKI 52895" ] }, { "compound_id": "C15095", "inchi": "InChI=1S/C19H12O7/c1-9(20)23-11-3-5-13-15(7-11)25-18-14-6-4-12(24-10(2)21)8-16(14)26-19(22)17(13)18/h3-8H,1-2H3", "name": "Coumestrol diacetate", "names": [ "3,9-Diacetoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one", "Coumestrol diacetate" ] }, { "compound_id": "C15096", "inchi": "InChI=1S/C33H34N4O3/c38-30-29(35-32(40)34-25-9-3-1-4-10-25)31(39)37(26-11-5-2-6-12-26)28-14-8-7-13-27(28)36(30)21-33-18-22-15-23(19-33)17-24(16-22)20-33/h1-14,22-24,29H,15-21H2,(H2,34,35,40)/t22?,23?,24?,29-,33?/m1/s1", "name": "GV 150013X", "names": [ "GV 150013X", "N-Phenyl-N'-[(3R)-2,3,4,5-tetrahydro-2,4-dioxo-1-phenyl-5-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-1,5-benzodiazepin-3-yl]urea" ] }, { "compound_id": "C15097", "inchi": "InChI=1S/C19H30O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h2,13-17,20-22H,3-11H2,1H3/t13-,14-,15-,16-,17-,18-,19+/m0/s1", "name": "Androst-5-ene-3beta,17beta,19-triol", "names": [ "Androst-5-ene-3beta,17beta,19-triol" ] }, { "compound_id": "C15098", "inchi": "InChI=1S/C21H29FO3/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1", "name": "21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione", "names": [ "21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione", "21-Fluoro-11beta-hydroxyprogesterone" ] }, { "compound_id": "C15099", "inchi": "InChI=1S/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1", "name": "17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one", "names": [ "17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one", "2alpha,17alpha-Dimethyldihydrotestosterone" ] }, { "compound_id": "C15100", "inchi": "InChI=1S/C17H14O6/c1-21-14-8-13-15(17(22-2)16(14)20)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3", "name": "6-Hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", "names": [ "4',6-Dihydroxy-5,7-dimethoxyflavone", "6-Hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one" ] }, { "compound_id": "C15101", "inchi": "InChI=1S/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m1/s1", "name": "17-Methyl-5-alpha-androst-2-en-17-beta-ol", "names": [ "17-Methyl-5-alpha-androst-2-en-17-beta-ol" ] }, { "compound_id": "C15102", "inchi": "InChI=1S/C11H10O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-4,9H,5-6H2,(H,13,14)", "name": "1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid", "names": [ "1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid" ] }, { "compound_id": "C15103", "inchi": "InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-17,21-22H,3-6,10H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1", "name": "11alpha,17beta-Dihydroxy-1,4-androstadien-3-one", "names": [ "11alpha,17beta-Dihydroxy-1,4-androstadien-3-one" ] }, { "compound_id": "C15104", "inchi": "InChI=1S/C27H24ClN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3", "name": "LY-202769", "names": [ "2-[2-(5-Chloro-1H-indol-3-yl)ethyl]-3-[3-(1-methylethoxy)phenyl]-4(3H)-quinazolinone", "LY-202769" ] }, { "compound_id": "C15105", "inchi": "InChI=1S/C19H23FO4/c1-17-9-15(23)19(20)12(13(17)8-14(22)16(17)24)4-3-10-7-11(21)5-6-18(10,19)2/h7,12-14,22H,3-6,8-9H2,1-2H3/t12-,13-,14+,17-,18-,19-/m0/s1", "name": "9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione", "names": [ "9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione" ] }, { "compound_id": "C15106", "inchi": "InChI=1S/C22H34N2O2/c1-14(13-23-25)18-6-7-19-17-5-4-15-12-16(24-26)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20,25-26H,4-11H2,1-3H3/b23-13+,24-16+/t14-,17-,18+,19-,20-,21-,22+/m0/s1", "name": "3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime", "names": [ "3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime" ] }, { "compound_id": "C15107", "inchi": "InChI=1S/C19H24O/c1-19-10-3-4-18(19)17-7-5-13-12-14(20-2)6-8-15(13)16(17)9-11-19/h3,6,8,10,12,16-18H,4-5,7,9,11H2,1-2H3/t16-,17-,18+,19+/m1/s1", "name": "3-Methoxyestra-1,3,5(10),16-tetraene", "names": [ "3-Methoxyestra-1,3,5(10),16-tetraene" ] }, { "compound_id": "C15108", "inchi": "InChI=1S/C21H32O2/c1-13-11-15-16(19(2)8-5-14(22)12-18(13)19)6-9-20(3)17(15)7-10-21(20,4)23/h12-13,15-17,23H,5-11H2,1-4H3/t13-,15+,16-,17-,19+,20-,21-/m0/s1", "name": "17beta-Hydroxy-6alpha,17-dimethylandrost-4-en-3-one", "names": [ "17beta-Hydroxy-6alpha,17-dimethylandrost-4-en-3-one", "6alpha,17alpha-Dimethyltestosterone" ] }, { "compound_id": "C15109", "inchi": "InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3", "name": "Gardenin B", "names": [ "5-Hydroxy-2-(4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one", "5-Hydroxy-4',6,7,8-tetramethoxyflavone", "Demethyltangeretin", "Gardenin B" ] }, { "compound_id": "C15110", "inchi": "InChI=1S/C16H12O4/c1-9(17)15-13-7-6-12(19)8-14(13)20-16(15)10-2-4-11(18)5-3-10/h2-8,18-19H,1H3", "name": "1-[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone", "names": [ "1-[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone", "6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone" ] }, { "compound_id": "C15111", "inchi": "InChI=1S/C16H12O3/c1-10(17)15-13-4-2-3-5-14(13)19-16(15)11-6-8-12(18)9-7-11/h2-9,18H,1H3", "name": "1-[2-(4-Hydroxyphenyl)-1-benzofuran-3-yl]ethanone", "names": [ "1-[2-(4-Hydroxyphenyl)-1-benzofuran-3-yl]ethanone", "2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone" ] }, { "compound_id": "C15112", "inchi": "InChI=1S/C22H30F2O3/c1-4-19(26)27-18-8-6-14-13-5-7-16-20(2,12-10-17(25)22(16,23)24)15(13)9-11-21(14,18)3/h7,13-15,18H,4-6,8-12H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1", "name": "4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate", "names": [ "4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate" ] }, { "compound_id": "C15113", "inchi": "InChI=1S/C21H31FO3/c1-12-10-18(2)13(9-16(12)23)5-6-15-14-7-8-20(4,25)19(14,3)11-17(24)21(15,18)22/h9,12,14-15,17,24-25H,5-8,10-11H2,1-4H3/t12?,14-,15-,17-,18-,19-,20-,21-/m0/s1", "name": "9-Fluoro-11beta,17beta-dihydroxy-2,17-dimethylandrost-4-en-3-one", "names": [ "9-Fluoro-11beta,17beta-dihydroxy-2,17-dimethylandrost-4-en-3-one" ] }, { "compound_id": "C15114", "inchi": "InChI=1S/C20H26O2/c1-20-10-9-16-14-4-5-15(22-2)12-13(11-14)3-6-17(16)18(20)7-8-19(20)21/h4-5,12,16-18H,3,6-11H2,1-2H3/t16-,17-,18+,20+/m1/s1", "name": "3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one", "names": [ "3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one", "3-Methoxy-5,19-cyclo-5,10-secoandrosta-1(10),2,4-trien-17-one" ] }, { "compound_id": "C15115", "inchi": "InChI=1S/C23H34O3/c1-13-10-16-18-7-6-17(14(2)24)22(18,4)12-23(5,26)20(16)21(3)9-8-15(25)11-19(13)21/h11,13,16-18,20,26H,6-10,12H2,1-5H3/t13-,16-,17+,18-,20-,21-,22+,23-/m0/s1", "name": "11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione", "names": [ "11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione", "11beta-Hydroxy-6alpha,11-dimethylprogesterone" ] }, { "compound_id": "C15116", "inchi": "InChI=1S/C22H32O2/c1-13-12-22(4)15(11-20(13)24)5-6-16-18-8-7-17(14(2)23)21(18,3)10-9-19(16)22/h11,13,16-19H,5-10,12H2,1-4H3/t13-,16+,17-,18+,19+,21-,22+/m1/s1", "name": "2alpha-Methylpregn-4-ene-3,20-dione", "names": [ "2alpha-Methylpregn-4-ene-3,20-dione", "2alpha-Methylprogesterone" ] }, { "compound_id": "C15117", "inchi": "InChI=1S/C21H30O/c1-4-21(22)12-10-19-18-8-6-15-13-14(2)5-7-16(15)17(18)9-11-20(19,21)3/h5,7,13,17-19,22H,4,6,8-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1", "name": "3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol", "names": [ "3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol" ] }, { "compound_id": "C15118", "inchi": "InChI=1S/C19H20O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-8,10,14H,9H2,1-4H3", "name": "2,3-Dihydro-2-(4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", "names": [ "2,3-Dihydro-2-(4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", "4',5,6,7-Tetramethoxyflavanone" ] }, { "compound_id": "C15119", "inchi": "InChI=1S/C26H42O/c1-17(2)7-6-8-18(3)22-9-10-23-21-16-19-15-20(27)11-13-25(19,4)24(21)12-14-26(22,23)5/h15,17-18,21-24H,6-14,16H2,1-5H3/t18-,21+,22-,23+,24+,25+,26-/m1/s1", "name": "B-Norcholest-4-en-3-one", "names": [ "B-Norcholest-4-en-3-one" ] }, { "compound_id": "C15120", "inchi": "InChI=1S/C15H13NO3/c1-19-13-4-2-12(3-5-13)14(15(17)18)10-11-6-8-16-9-7-11/h2-10H,1H3,(H,17,18)/b14-10-", "name": "alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid", "names": [ "alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid" ] }, { "compound_id": "C15121", "inchi": "InChI=1S/C15H12N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h2-10H,1H3/b13-10+", "name": "alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile", "names": [ "alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile" ] }, { "compound_id": "C15122", "inchi": "InChI=1S/C16H15NO3/c1-11-4-3-5-13(17-11)10-15(16(18)19)12-6-8-14(20-2)9-7-12/h3-10H,1-2H3,(H,18,19)/b15-10-", "name": "alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid", "names": [ "alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid" ] }, { "compound_id": "C15123", "inchi": "InChI=1S/C14H12Cl2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H", "name": "1,1-Dichloro-2,2-diphenylethane", "names": [ "1,1-Dichloro-2,2-diphenylethane" ] }, { "compound_id": "C15124", "inchi": "InChI=1S/C20H24O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h7,9,12,18H,3-6,8,10-11H2,1-2H3/t18-,20-/m0/s1", "name": "3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17a-one", "names": [ "3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17a-one" ] }, { "compound_id": "C15125", "inchi": "InChI=1S/C14H21N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3", "name": "N-(Cyclohexylmethyl)-N-methylbenzenamine", "names": [ "N-(Cyclohexylmethyl)-N-methylbenzenamine", "N-Methyl-N-phenylcyclohexanemethylamine" ] }, { "compound_id": "C15126", "inchi": "InChI=1S/C20H28O3/c1-18-11-17(22)16(21)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h10-11,13-15,22-23H,4-9H2,1-3H3/t13-,14+,15+,18+,19+,20+/m1/s1", "name": "2,17beta-Dihydroxy-17-methylandrosta-1,4-dien-3-one", "names": [ "2,17beta-Dihydroxy-17-methylandrosta-1,4-dien-3-one" ] }, { "compound_id": "C15127", "inchi": "InChI=1S/C21H29FO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19-,20+,21+/m0/s1", "name": "6alpha-Fluoropregn-4-ene-3,20-dione", "names": [ "6alpha-Fluoropregn-4-ene-3,20-dione", "6alpha-Fluoroprogesterone" ] }, { "compound_id": "C15128", "inchi": "InChI=1S/C25H33NO/c1-24-12-11-20-17(19(24)9-10-23(24)27)8-7-15-13-22-18(14-25(15,20)2)16-5-3-4-6-21(16)26-22/h3-6,15,17,19-20,23,26-27H,7-14H2,1-2H3/t15-,17-,19-,20-,23-,24-,25-/m0/s1", "name": "1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol", "names": [ "1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol" ] }, { "compound_id": "C15129", "inchi": "InChI=1S/C18H24O2/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19)10-15(11)13/h2,4,10,13-14,16-17,19-20H,3,5-9H2,1H3/t13-,14+,16-,17-,18-/m0/s1", "name": "Estra-1,3,5(10)-triene-2,17beta-diol", "names": [ "2-Hydroxy-3-deoxyestradiol", "Estra-1,3,5(10)-triene-2,17beta-diol" ] }, { "compound_id": "C15130", "inchi": "InChI=1S/C21H28O3/c1-12(22)15-3-4-16-14-10-19-18-9-13(23)5-8-21(18,11-24-19)17(14)6-7-20(15,16)2/h9,14-17,19H,3-8,10-11H2,1-2H3/t14-,15+,16-,17-,19+,20+,21-/m0/s1", "name": "6beta,19-Epoxypregn-4-ene-3,20-dione", "names": [ "6beta,19-Epoxypregn-4-ene-3,20-dione" ] }, { "compound_id": "C15131", "inchi": "InChI=1S/C16H16O2/c1-17-15-10-11-16(18-2)14(12-15)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+", "name": "2,5-Dimethoxystilbene", "names": [ "1,4-Dimethoxy-2-(2-phenylethenyl)benzene", "2,5-Dimethoxystilbene" ] }, { "compound_id": "C15132", "inchi": "InChI=1S/C21H30O3/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18-19(24-18)21(15,16)3/h12,14-19H,4-10H2,1-3H3/t12-,14+,15-,16+,17-,18+,19+,20+,21-/m1/s1", "name": "11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione", "names": [ "11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione" ] }, { "compound_id": "C15133", "inchi": "InChI=1S/C21H31NO2/c1-13(23)15-6-7-16-14-5-8-18-21(3,12-10-19(24)22(18)4)17(14)9-11-20(15,16)2/h8,14-17H,5-7,9-12H2,1-4H3/t14-,15+,16-,17-,20+,21+/m0/s1", "name": "4-Methyl-4-aza-5-pregnene-3,20-dione", "names": [ "4-Methyl-4-aza-5-pregnene-3,20-dione" ] }, { "compound_id": "C15134", "inchi": "InChI=1S/C15H18O2/c16-14-5-3-11-7-10(1-2-12(11)8-14)13-4-6-15(17)9-13/h3,5,8,10,13,16H,1-2,4,6-7,9H2", "name": "3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone", "names": [ "3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone" ] }, { "compound_id": "C15135", "inchi": "InChI=1S/C21H28O4/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,12,15-18H,4-11H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1", "name": "3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate", "names": [ "3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate" ] }, { "compound_id": "C15136", "inchi": "InChI=1S/C19H30O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15-,16-,18-,19-/m0/s1", "name": "3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one", "names": [ "3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one", "Isoandrololactone" ] }, { "compound_id": "C15137", "inchi": "InChI=1S/C21H34O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h13-17,22,24H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,19-,20-,21-/m0/s1", "name": "17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one", "names": [ "17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one" ] }, { "compound_id": "C15138", "inchi": "InChI=1S/C20H32O3/c1-19-8-6-13(21)10-12(19)4-5-14-15(19)7-9-20(2)16(14)11-17(22)18(20)23-3/h4,13-18,21-22H,5-11H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-,20-/m0/s1", "name": "17beta-Methoxyandrost-5-ene-3beta,16beta-diol", "names": [ "17beta-Methoxyandrost-5-ene-3beta,16beta-diol" ] }, { "compound_id": "C15139", "inchi": "InChI=1S/C21H34O3/c1-14(22)24-16-8-10-20(2)15(13-16)6-7-17-18(20)9-11-21(3)19(17)5-4-12-23-21/h15-19H,4-13H2,1-3H3/t15-,16-,17+,18-,19-,20-,21-/m0/s1", "name": "D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate", "names": [ "D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate" ] }, { "compound_id": "C15140", "inchi": "InChI=1S/C20H32F2O/c1-17-10-11-20(21,22)12-13(17)4-5-14-15(17)6-8-18(2)16(14)7-9-19(18,3)23/h13-16,23H,4-12H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1", "name": "3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol", "names": [ "3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol" ] }, { "compound_id": "C15141", "inchi": "InChI=1S/C13H14N2/c1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3", "name": "N-(Phenylmethyl)-N-methyl-2-pyridinamine", "names": [ "N-(Phenylmethyl)-N-methyl-2-pyridinamine" ] }, { "compound_id": "C15142", "inchi": "InChI=1S/C20H26O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h7,9,12,18-19,21H,3-6,8,10-11H2,1-2H3/t18-,19-,20-/m0/s1", "name": "3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol", "names": [ "3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol" ] }, { "compound_id": "C15143", "inchi": "InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3", "name": "(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone", "names": [ "(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone" ] }, { "compound_id": "C15144", "inchi": "InChI=1S/C19H28O3/c1-18-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)16(18)10-19(2,22)17(18)21/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17+,18-,19-/m0/s1", "name": "16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one", "names": [ "16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one" ] }, { "compound_id": "C15145", "inchi": "InChI=1S/C22H24O5/c1-5-21(25)22(6-2,17-7-11-19(12-8-17)26-15(3)23)18-9-13-20(14-10-18)27-16(4)24/h7-14H,5-6H2,1-4H3", "name": "4,4-Bis[4-(acetyloxy)phenyl]3-hexanone", "names": [ "4,4-Bis(4-hydroxyphenyl)-3-hexanone diacetate", "4,4-Bis[4-(acetyloxy)phenyl]3-hexanone" ] }, { "compound_id": "C15146", "inchi": "InChI=1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h6,10,15,17,19H,4-5,7-9,11H2,1-3H3/t15-,17-,19+,20-,21+/m0/s1", "name": "Pregna-4,16-diene-3,11,20-trione", "names": [ "Pregna-4,16-diene-3,11,20-trione" ] }, { "compound_id": "C15147", "inchi": "InChI=1S/C20H25FO3/c1-11-8-15-14-5-4-12-9-13(22)6-7-19(12,3)20(14,21)16(23)10-18(15,2)17(11)24/h6-7,9,11,14-16,23H,4-5,8,10H2,1-3H3/t11-,14+,15+,16+,18+,19+,20+/m1/s1", "name": "9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione", "names": [ "9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione" ] }, { "compound_id": "C15148", "inchi": "InChI=1S/C22H29FO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-17,19H,5-9,11H2,1-4H3/t12-,16+,17+,19-,20+,21+,22+/m1/s1", "name": "9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione", "names": [ "9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione" ] }, { "compound_id": "C15149", "inchi": "InChI=1S/C21H31NO2/c1-13(23)22-19-7-6-17-16-5-4-14-12-15(24)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3,(H,22,23)/t16-,17-,18-,19-,20-,21-/m0/s1", "name": "17beta-Acetamidoandrost-4-en-3-one", "names": [ "17beta-Acetamidoandrost-4-en-3-one" ] }, { "compound_id": "C15150", "inchi": "InChI=1S/C19H24O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h5,8,11,14-15,22H,3-4,6-7,9-10H2,1-2H3/t14-,15+,17-,18+,19+/m0/s1", "name": "14-Hydroxyandrosta-1,4-diene-3,17-dione", "names": [ "14-Hydroxyandrosta-1,4-diene-3,17-dione" ] }, { "compound_id": "C15151", "inchi": "InChI=1S/C19H26O4/c1-11(20)22-17-7-5-15-13-3-6-16-14(4-8-18(21)23-16)12(13)9-10-19(15,17)2/h4,8,12-17H,3,5-7,9-10H2,1-2H3/t12-,13+,14+,15-,16+,17-,19-/m0/s1", "name": "17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate", "names": [ "17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate" ] }, { "compound_id": "C15152", "inchi": "InChI=1S/C21H28F2O2/c1-12(24)14-5-6-15-13-4-7-17-20(3,11-9-18(25)21(17,22)23)16(13)8-10-19(14,15)2/h7,13-16H,4-6,8-11H2,1-3H3/t13-,14+,15-,16-,19+,20+/m0/s1", "name": "4,4-Difluoropregn-5-ene-3,20-dione", "names": [ "4,4-Difluoropregn-5-ene-3,20-dione" ] }, { "compound_id": "C15153", "inchi": "InChI=1S/C17H20O3/c1-4-15(17(2,3)16(19)20)13-6-5-12-10-14(18)8-7-11(12)9-13/h5-10,15,18H,4H2,1-3H3,(H,19,20)/t15-/m0/s1", "name": "(-)-Methallenestrilphenol", "names": [ "(-)-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid", "(-)-Methallenestrilphenol", "(-)-beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid" ] }, { "compound_id": "C15154", "inchi": "InChI=1S/C21H30O3/c1-12(22)14-4-5-15-13-6-11-21-18(24-21)17(23)8-10-20(21,3)16(13)7-9-19(14,15)2/h13-16,18H,4-11H2,1-3H3/t13-,14+,15-,16-,18-,19+,20+,21-/m0/s1", "name": "4beta,5beta-Epoxypregnane-3,20-dione", "names": [ "4beta,5beta-Epoxypregnane-3,20-dione" ] }, { "compound_id": "C15155", "inchi": "InChI=1S/C22H31BrO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-19,26H,5-9,11H2,1-4H3/t12-,16+,17+,18+,19-,20+,21+,22+/m1/s1", "name": "9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione", "names": [ "9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione" ] }, { "compound_id": "C15156", "inchi": "InChI=1S/C21H32O2/c1-13(22)14-8-10-20(2)15(12-14)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h8,15-19,23H,4-7,9-12H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1", "name": "3-Acetyl-5alpha-androst-2-en-17beta-ol", "names": [ "3-Acetyl-5alpha-androst-2-en-17beta-ol" ] }, { "compound_id": "C15157", "inchi": "InChI=1S/C23H36O4/c1-14(24)23(27-15(2)25)12-11-21(3)16(13-23)5-6-17-18-7-8-20(26)22(18,4)10-9-19(17)21/h16-20,26H,5-13H2,1-4H3/t16-,17-,18-,19-,20-,21-,22-,23-/m0/s1", "name": "3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate", "names": [ "3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate" ] }, { "compound_id": "C15158", "inchi": "InChI=1S/C21H30O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-17,23H,5-13H2,2-3H3/t14-,15-,16-,17-,19-,20-,21-/m0/s1", "name": "3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one", "names": [ "3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one" ] }, { "compound_id": "C15159", "inchi": "InChI=1S/C20H30O4/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(23)24-20/h11,13-17,21-22H,3-10H2,1-2H3/b12-11-/t13-,14-,15+,16-,17-,19-,20-/m0/s1", "name": "3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone", "names": [ "3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone" ] }, { "compound_id": "C15160", "inchi": "InChI=1S/C25H31NO3/c1-5-20-21-14-18(16-26-12-6-7-13-26)22(27)15-23(21)29-25(2,3)24(20)17-8-10-19(28-4)11-9-17/h8-11,14-15,27H,5-7,12-13,16H2,1-4H3", "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol", "names": [ "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol" ] }, { "compound_id": "C15161", "inchi": "InChI=1S/C25H28O6/c1-7-19-20-12-13-22(30-16(3)27)21(14-29-15(2)26)24(20)31-25(4,5)23(19)17-8-10-18(28-6)11-9-17/h8-13H,7,14H2,1-6H3", "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate", "names": [ "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate" ] }, { "compound_id": "C15162", "inchi": "InChI=1S/C25H31NO3/c1-5-19-20-12-13-22(27)21(16-26-14-6-7-15-26)24(20)29-25(2,3)23(19)17-8-10-18(28-4)11-9-17/h8-13,27H,5-7,14-16H2,1-4H3", "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol", "names": [ "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol" ] }, { "compound_id": "C15163", "inchi": "InChI=1S/C26H33NO2/c1-25-13-11-22-21-10-8-20(28)15-19(21)7-9-23(22)24(25)12-14-26(25,29)17-27-16-18-5-3-2-4-6-18/h2-6,8,10,15,22-24,27-29H,7,9,11-14,16-17H2,1H3/t22-,23-,24+,25+,26-/m1/s1", "name": "17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol", "names": [ "17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol" ] }, { "compound_id": "C15164", "inchi": "InChI=1S/C19H27FO3/c1-18-8-7-11(21)9-10(18)3-4-12-13-5-6-14(22)19(13,2)17(20)16(23)15(12)18/h9,12-17,22-23H,3-8H2,1-2H3/t12-,13-,14-,15+,16+,17-,18-,19-/m0/s1", "name": "12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one", "names": [ "12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one" ] }, { "compound_id": "C15165", "inchi": "InChI=1S/C19H25FO3/c1-18-8-7-11(21)9-10(18)3-4-12-13-5-6-14(22)19(13,2)17(20)16(23)15(12)18/h7-9,12-17,22-23H,3-6H2,1-2H3/t12-,13-,14-,15+,16+,17-,18-,19-/m0/s1", "name": "12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one", "names": [ "12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one" ] }, { "compound_id": "C15166", "inchi": "InChI=1S/C21H31FO3/c1-12(23)25-19-7-6-15-14-5-4-13-10-18(24)17(22)11-21(13,3)16(14)8-9-20(15,19)2/h13-17,19H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,19-,20-,21-/m0/s1", "name": "5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate", "names": [ "(2alpha,5alpha,17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one", "5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate" ] }, { "compound_id": "C15167", "inchi": "InChI=1S/C21H28O2/c1-13(22)19-8-9-20-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,12,17-20H,4,6,8-11H2,1-3H3/t17-,18-,19-,20+,21-/m1/s1", "name": "3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one", "names": [ "3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one" ] }, { "compound_id": "C15168", "inchi": "InChI=1S/C18H20O2/c1-3-13(4-2)18(14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-20H,3-4H2,1-2H3", "name": "4,4'-(2-Ethyl-1-butenylidene)diphenol", "names": [ "1,1-Bis(4-hydroxyphenyl)-2-ethyl-1-butene", "4,4'-(2-Ethyl-1-butenylidene)diphenol" ] }, { "compound_id": "C15169", "inchi": "InChI=1S/C19H25FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-16H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1", "name": "16alpha-Fluoroandrost-4-ene-3,17-dione", "names": [ "16alpha-Fluoroandrost-4-ene-3,17-dione" ] }, { "compound_id": "C15170", "inchi": "InChI=1S/C20H28O/c1-3-20(2)11-10-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-9-19(18)20/h12,15-17H,3-11H2,1-2H3/t15-,16+,17+,20+/m0/s1", "name": "17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one", "names": [ "17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one" ] }, { "compound_id": "C15171", "inchi": "InChI=1S/C25H30O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h2-6,15,19-23H,7-14H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1", "name": "17beta-Hydroxyestr-4-en-3-one benzoate", "names": [ "17beta-Hydroxyestr-4-en-3-one benzoate", "Nandrolone benzoate" ] }, { "compound_id": "C15172", "inchi": "InChI=1S/C21H29FO4/c1-11(23)21(26)7-5-14-13-9-16(22)15-8-12(24)4-6-19(15,2)18(13)17(25)10-20(14,21)3/h8,13-14,16-18,25-26H,4-7,9-10H2,1-3H3/t13-,14-,16-,17-,18+,19-,20-,21-/m0/s1", "name": "6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione", "names": [ "6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione", "6alpha-Fluoro-11beta,17-dihydroxyprogesterone" ] }, { "compound_id": "C15173", "inchi": "InChI=1S/C23H37O5P/c1-5-28-29(26,27)20-13-19-17-7-6-15-12-16(25)8-10-22(15,3)18(17)9-11-23(19,4)21(20)14(2)24/h6,16-21,25H,5,7-13H2,1-4H3,(H,26,27)/t16-,17+,18-,19-,20?,21-,22-,23-/m0/s1", "name": "3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester", "names": [ "(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester", "3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester" ] }, { "compound_id": "C15174", "inchi": "InChI=1S/C20H24O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-17H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,20+/m1/s1", "name": "Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid", "names": [ "3-O-(Carboxymethyl)estrone", "Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid" ] }, { "compound_id": "C15175", "inchi": "InChI=1S/C20H31NO2/c1-18-10-9-17(22)21(4)16(18)6-5-13-14(18)7-11-19(2)15(13)8-12-20(19,3)23/h6,13-15,23H,5,7-12H2,1-4H3/t13-,14+,15+,18-,19+,20+/m1/s1", "name": "17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one", "names": [ "17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one" ] }, { "compound_id": "C15176", "inchi": "InChI=1S/C20H32O2/c1-18-11-9-16-14(15(18)10-12-19(18,2)22)8-7-13-5-4-6-17(21)20(13,16)3/h4,6,13-17,21-22H,5,7-12H2,1-3H3/t13-,14+,15+,16+,17+,18+,19+,20+/m1/s1", "name": "17-Methyl-5alpha-androst-2-ene-1alpha,17beta-diol", "names": [ "17-Methyl-5alpha-androst-2-ene-1alpha,17beta-diol" ] }, { "compound_id": "C15177", "inchi": "InChI=1S/C21H29NO2/c1-19-11-13-12-22-24-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h10,12,15-17,23H,4-9,11H2,1-3H3/t15-,16+,17+,19+,20+,21+/m1/s1", "name": "17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol", "names": [ "17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol" ] }, { "compound_id": "C15178", "inchi": "InChI=1S/C7H9N3O4/c11-4-3-8-9-5-6-1-2-7(14-6)10(12)13/h1-2,5,8,11H,3-4H2/b9-5+", "name": "5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone", "names": [ "5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone" ] }, { "compound_id": "C15179", "inchi": "InChI=1S/C22H20O/c1-17(18-13-15-21(23-2)16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3", "name": "1,1-Diphenyl-2-(4-methoxyphenyl)propene", "names": [ "1,1-Diphenyl-2-(4-methoxyphenyl)propene" ] }, { "compound_id": "C15180", "inchi": "InChI=1S/C24H34O4S/c1-5-21(27)28-20-9-8-16-15-6-7-18-22(29-14(2)25)19(26)11-13-23(18,3)17(15)10-12-24(16,20)4/h15-17,20H,5-13H2,1-4H3/t15-,16-,17-,20-,23+,24-/m0/s1", "name": "17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate", "names": [ "17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate" ] }, { "compound_id": "C15181", "inchi": "InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1", "name": "Wortmannin", "names": [ "Wortmannin" ] }, { "compound_id": "C15182", "inchi": "InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1", "name": "Temsirolimus", "names": [ "42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]rapamycin", "CCI 779", "Temsirolimus" ] }, { "compound_id": "C15183", "inchi": "InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1", "name": "AP 23573", "names": [ "42-(Dimethylphosphinate)rapamycin", "AP 23573", "Deforolimus" ] }, { "compound_id": "C15184", "inchi": "InChI=1S/C20H30O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16,18,22H,4-10H2,1-3H3/t12-,14-,15-,16-,18-,19+,20-/m0/s1", "name": "17beta-Hydroxy-6alpha-methylandrost-4-en-3-one", "names": [ "17beta-Hydroxy-6alpha-methylandrost-4-en-3-one", "6alpha-Methyltestosterone" ] }, { "compound_id": "C15185", "inchi": "InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h6,9,12,17-19,27H,4-5,7-8,10-11,13H2,1-3H3/t17-,18+,19+,21+,22+,23+/m1/s1", "name": "21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione", "names": [ "11-Deoxyprednisone acetate", "21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione" ] }, { "compound_id": "C15186", "inchi": "InChI=1S/C23H32O2/c1-5-23(25-16(2)24)15-12-20-18-10-9-17-8-6-7-13-21(17,3)19(18)11-14-22(20,23)4/h1,6-7,17-20H,8-15H2,2-4H3/t17-,18-,19+,20+,21+,22+,23+/m1/s1", "name": "5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate", "names": [ "17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate", "5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate" ] }, { "compound_id": "C15187", "inchi": "InChI=1S/C21H28O3/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18-19(24-18)21(15,16)3/h10,14-19H,4-9H2,1-3H3/t14-,15+,16-,17+,18+,19+,20-,21+/m0/s1", "name": "11beta,12beta-Epoxypregn-4-ene-3,20-dione", "names": [ "11beta,12beta-Epoxypregn-4-ene-3,20-dione", "11beta,12beta-Epoxyprogesterone" ] }, { "compound_id": "C15188", "inchi": "InChI=1S/C20H30O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h13,15-19H,3-11H2,1-2H3/t13-,15-,16+,17+,18+,19-,20+/m0/s1", "name": "19-Nor-5alpha-pregnane-3,20-dione", "names": [ "19-Nor-5alpha-pregnane-3,20-dione" ] }, { "compound_id": "C15189", "inchi": "InChI=1S/C15H9ClO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H", "name": "3-(4-Chlorophenyl)-2H-1-benzopyran-2-one", "names": [ "3-(4-Chlorophenyl)-2H-1-benzopyran-2-one", "3-(p-Chlorophenyl)coumarin" ] }, { "compound_id": "C15190", "inchi": "InChI=1S/C22H30O2/c1-13-11-20-17(19-8-7-18(14(2)23)22(13,19)4)6-5-15-12-16(24)9-10-21(15,20)3/h11-13,17-19H,5-10H2,1-4H3/t13-,17-,18+,19-,21-,22+/m0/s1", "name": "12alpha-Methylpregna-4,9(11)-diene-3,20-dione", "names": [ "12alpha-Methylpregna-4,9(11)-diene-3,20-dione" ] }, { "compound_id": "C15191", "inchi": "InChI=1S/C18H16O3/c1-11(2)18-16(14-5-3-4-6-15(14)21-18)17(20)12-7-9-13(19)10-8-12/h3-11,19H,1-2H3", "name": "(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone", "names": [ "(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone", "2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran" ] }, { "compound_id": "C15192", "inchi": "InChI=1S/C20H28O3/c1-17-8-6-13(21)10-12(17)4-5-15-14-7-9-19(3,22)18(14,2)11-16-20(15,17)23-16/h10,14-16,22H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20+/m0/s1", "name": "9beta,11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one", "names": [ "9beta,11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one" ] }, { "compound_id": "C15193", "inchi": "InChI=1S/C18H18N2O2/c1-3-15-17(14-6-4-5-7-16(14)21)18(20-19-15)12-8-10-13(22-2)11-9-12/h4-11,21H,3H2,1-2H3,(H,19,20)", "name": "2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol", "names": [ "2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol" ] }, { "compound_id": "C15194", "inchi": "InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h8,11,14-15H,3-7,9-10H2,1-2H3/t14-,15-,18-,19-/m0/s1", "name": "Androsta-4,9(11)-diene-3,17-dione", "names": [ "9(11)-Dehydroandrostenedione", "Androsta-4,9(11)-diene-3,17-dione" ] }, { "compound_id": "C15195", "inchi": "InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2", "name": "LY 294002", "names": [ "2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one", "LY 294002" ] }, { "compound_id": "C15196", "inchi": "InChI=1S/C14H12O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1,3,5,7,15,17H,2,4,6H2", "name": "3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone", "names": [ "3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone" ] }, { "compound_id": "C15197", "inchi": "InChI=1S/C22H32N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h3,9,12,15-19,25H,4-8,10-11,13H2,1-2H3,(H,23,24)/t15-,16-,17-,18-,19+,21-,22-/m0/s1", "name": "17beta-Pyrazol-3-ylandrost-5-en-3beta-ol", "names": [ "17beta-Pyrazol-3-ylandrost-5-en-3beta-ol" ] }, { "compound_id": "C15198", "inchi": "InChI=1S/C21H36O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h14-18,22-23H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-,21+/m0/s1", "name": "3-Ethyl-5alpha-androstane-3alpha,17beta-diol", "names": [ "3-Ethyl-5alpha-androstane-3alpha,17beta-diol" ] }, { "compound_id": "C15199", "inchi": "InChI=1S/C21H32O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15-,16-,17-,18-,19-,20-,21-/m0/s1", "name": "3-Ethynyl-5alpha-androstane-3beta,17beta-diol", "names": [ "3-Ethynyl-5alpha-androstane-3beta,17beta-diol" ] }, { "compound_id": "C15200", "inchi": "InChI=1S/C19H24O3/c1-17-10-16-19(22-16)14(13(17)5-6-15(17)21)4-3-11-9-12(20)7-8-18(11,19)2/h9,13-14,16H,3-8,10H2,1-2H3/t13-,14-,16-,17-,18-,19+/m0/s1", "name": "9beta,11beta-Epoxyandrost-4-ene-3,17-dione", "names": [ "9beta,11beta-Epoxyandrost-4-ene-3,17-dione" ] }, { "compound_id": "C15201", "inchi": "InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,17+,18+/m1/s1", "name": "5beta-Estrane-3alpha,17beta-diol", "names": [ "19-Nor-5beta-androstane-3alpha,17beta-diol", "5beta-Estrane-3alpha,17beta-diol" ] }, { "compound_id": "C15202", "inchi": "InChI=1S/C12H9ClO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-8,14H", "name": "2'-Chloro-4-biphenylol", "names": [ "2'-Chloro-4-biphenylol" ] }, { "compound_id": "C15203", "inchi": "InChI=1S/C16H12O4/c1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2-9,17H,1H3", "name": "6-Hydroxy-2'-methoxyflavone", "names": [ "6-Hydroxy-2'-methoxyflavone", "6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one" ] }, { "compound_id": "C15204", "inchi": "InChI=1S/C15H12O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15-16H,9H2", "name": "3'-Hydroxyflavanone", "names": [ "3'-Hydroxyflavanone" ] }, { "compound_id": "C15205", "inchi": "InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3", "name": "Diisobutyl phthalate", "names": [ "DIBP", "Diisobutyl phthalate" ] }, { "compound_id": "C15206", "inchi": "InChI=1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3", "name": "3,3-Bis(4-hydroxyphenyl)pentane", "names": [ "3,3-Bis(4-hydroxyphenyl)pentane", "4,4'-(1-Ethylpropane-1,1,-diyl)diphenol" ] }, { "compound_id": "C15207", "inchi": "InChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(33-23-20(27)18(25)19(26)21(34-23)22(28)29)10-11(13)2-4-15(14)16(24)6-7-17(24)35-36(30,31)32/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1", "name": "17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate", "names": [ "17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate", "Estradiol 3-glucuronide 17beta-sulfate" ] }, { "compound_id": "C15208", "inchi": "InChI=1S/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3", "name": "Bisphenol A bis(2-hydroxypropyl) ether", "names": [ "2,2-Bis[4-(2-hydroxy-2-methylethoxy)phenyl]propane", "Bisphenol A bis(2-hydroxypropyl) ether", "Bisphenol A propoxylate" ] }, { "compound_id": "C15209", "inchi": "InChI=1S/C25H28O6/c1-5-23(26)30-17-15-28-21-11-7-19(8-12-21)25(3,4)20-9-13-22(14-10-20)29-16-18-31-24(27)6-2/h5-14H,1-2,15-18H2,3-4H3", "name": "Bisphenol A ethoxylate diacrylate", "names": [ "Bisphenol A ethoxylate diacrylate" ] }, { "compound_id": "C15210", "inchi": "InChI=1S/C15H16O2/c1-2-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,15-17H,2H2,1H3", "name": "1,1-Bis(4-hydroxyphenyl)propane", "names": [ "1,1-Bis(4-hydroxyphenyl)propane" ] }, { "compound_id": "C15211", "inchi": "InChI=1S/C19H24O2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16/h5-12,20-21H,3-4,13-14H2,1-2H3", "name": "4,4-Bis(4-hydroxyphenyl)heptane", "names": [ "4,4-Bis(4-hydroxyphenyl)heptane" ] }, { "compound_id": "C15212", "inchi": "InChI=1S/C12H7Cl3O/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6,16H", "name": "2,2',5-Trichloro-4-hydroxybiphenyl", "names": [ "2,2',5-Trichloro-4-hydroxybiphenyl" ] }, { "compound_id": "C15213", "inchi": "InChI=1S/C12H3Cl7O/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2,20H", "name": "2,2',3',4,4',5,5'-Heptachloro-3-biphenylol", "names": [ "2,2',3',4,4',5,5'-Heptachloro-3-biphenylol" ] }, { "compound_id": "C15214", "inchi": "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m0/s1", "name": "alpha-Hexachlorocyclohexane", "names": [ "1alpha,2alpha,3beta,4alpha,5beta,6beta-Hexachlorocyclohexane", "alpha-HCH", "alpha-Hexachlorocyclohexane", "alpha-Lindane" ] }, { "compound_id": "C15215", "inchi": "InChI=1S/C18H22O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,15-17,19H,2,4,6-7,9-10H2,1H3/t15-,16-,17+,18-/m1/s1", "name": "3-Hydroxyestra-1,3,5(10)-trien-16-one", "names": [ "3-Hydroxyestra-1,3,5(10)-trien-16-one" ] }, { "compound_id": "C15216", "inchi": "InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1", "name": "3-Methoxyestriol", "names": [ "3-Methoxyestra-1,3,5(10)-triene-16alpha,17beta-diol", "3-Methoxyestriol", "Estriol 3-methyl ether" ] }, { "compound_id": "C15217", "inchi": "InChI=1S/C19H24O/c1-4-18(15-8-6-14(3)7-9-15)19(5-2)16-10-12-17(20)13-11-16/h6-13,18-20H,4-5H2,1-3H3", "name": "4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol", "names": [ "3-(p-Phenyl)-4-(p-tolyl)hexane", "4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol" ] }, { "compound_id": "C15218", "inchi": "InChI=1S/C14H10O6/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,15-18H", "name": "2,2',4,4'-Tetrahydroxybenzil", "names": [ "2,2',4,4'-Tetrahydroxybenzil", "Bis(2,4-dihydroxyphenyl)ethanedione" ] }, { "compound_id": "C15219", "inchi": "InChI=1S/C20H26O2/c1-5-18(15-7-9-16(21)10-8-15)19(6-2)20-13(3)11-17(22)12-14(20)4/h7-12,18-19,21-22H,5-6H2,1-4H3", "name": "2,6-Dimethylhexestrol", "names": [ "2,6-Dimethylhexestrol", "4-[1-Ethyl-2-(4-hydroxyphenyl)butyl]-3,5-dimethylphenol" ] }, { "compound_id": "C15220", "inchi": "InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3", "name": "2-Chloro-4-methylphenol", "names": [ "2-Chloro-4-methylphenol", "2-Chloro-p-cresol" ] }, { "compound_id": "C15221", "inchi": "InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3", "name": "Diisononyl phthalate", "names": [ "Diisononyl phthalate" ] }, { "compound_id": "C15222", "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-7-10(17)5-6-12(11)20-15/h1-7,16-17,19H", "name": "3,6,4'-Trihydroxyflavone", "names": [ "3,6,4'-Trihydroxyflavone", "3,6-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one" ] }, { "compound_id": "C15224", "inchi": "InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1", "name": "Tributyltin chloride", "names": [ "Tri-n-butylchlorotin", "Tributylchlorostannane", "Tributyltin chloride" ] }, { "compound_id": "C15225", "inchi": null, "name": "Manzeb", "names": [ "Mancozeb", "Manzeb" ] }, { "compound_id": "C15226", "inchi": "InChI=1S/ClH.Tl/h1H;/q;+1/p-1", "name": "Thallium chloride", "names": [ "Thallium chloride", "Thallous chloride" ] }, { "compound_id": "C15227", "inchi": "InChI=1S/2Cr.2K.7O/q;;2*+1;;;;;;2*-1", "name": "Potassium dichromate", "names": [ "Potassium dichromate" ] }, { "compound_id": "C15228", "inchi": "InChI=1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1", "name": "beta-Estradiol 17-acetate", "names": [ "17beta-Acetylestradiol", "Estra-1,3,5(10)-triene-3,17beta-diol 17-acetate", "beta-Estradiol 17-acetate" ] }, { "compound_id": "C15229", "inchi": "InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2", "name": "Ziram", "names": [ "Ziram" ] }, { "compound_id": "C15230", "inchi": "InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3", "name": "Iprobenfos", "names": [ "IBP", "Iprobenfos", "Kitazin P", "S-Benzyl O,O-diisopropyl phosphorothioate" ] }, { "compound_id": "C15231", "inchi": null, "name": "Maneb", "names": [ "Maneb" ] }, { "compound_id": "C15232", "inchi": "InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2", "name": "Zineb", "names": [ "Zineb" ] }, { "compound_id": "C15233", "inchi": "InChI=1S/Cd.2ClH/h;2*1H/q+2;;/p-2", "name": "Cadmium chloride", "names": [ "Cadmium chloride" ] }, { "compound_id": "C15234", "inchi": "InChI=1S/2NO3.Pb/c2*2-1(3)4;/q2*-1;+2", "name": "Lead nitrate", "names": [ "Lead nitrate" ] }, { "compound_id": "C15235", "inchi": "InChI=1S/3ClH.Sb/h3*1H;/q;;;+3/p-3", "name": "Antimony trichloride", "names": [ "Antimony trichloride", "Antimony(III) chloride", "Trichlorostibine" ] }, { "compound_id": "C15236", "inchi": "InChI=1S/C12H5Cl3O2/c13-8-4-7-6-3-5(16)1-2-9(6)17-12(7)11(15)10(8)14/h1-4,16H", "name": "8-Hydroxy-2,3,4-trichlorodibenzofuran", "names": [ "8-Hydroxy-2,3,4-trichlorodibenzofuran" ] }, { "compound_id": "C15237", "inchi": "InChI=1S/C12H7ClO2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,14H", "name": "8-Hydroxy-2-chlorodibenzofuran", "names": [ "8-Chloro-2-dibenzofuranol", "8-Hydroxy-2-chlorodibenzofuran" ] }, { "compound_id": "C15238", "inchi": "InChI=1S/C12H5Cl3O2/c13-8-2-1-6-7-3-5(16)4-9(14)11(7)17-12(6)10(8)15/h1-4,16H", "name": "8-Hydroxy-3,4,6-trichlorodibenzofuran", "names": [ "4,6,7-Trichloro-2-dibenzofuranol", "8-Hydroxy-3,4,6-trichlorodibenzofuran" ] }, { "compound_id": "C15239", "inchi": "InChI=1S/C12H6Cl2O2/c13-9-3-2-7-8-5-6(15)1-4-10(8)16-12(7)11(9)14/h1-5,15H", "name": "8-Hydroxy-3,4-dichlorodibenzofuran", "names": [ "6,7-Dichloro-2-dibenzofuranol", "8-Hydroxy-3,4-dichlorodibenzofuran" ] }, { "compound_id": "C15240", "inchi": "InChI=1S/C12H6Cl2O2/c13-8-5-4-7-6-2-1-3-9(15)11(6)16-12(7)10(8)14/h1-5,15H", "name": "6-Hydroxy-3,4-dichlorodibenzofuran", "names": [ "6,7-Dichloro-4-dibenzofuranol", "6-Hydroxy-3,4-dichlorodibenzofuran" ] }, { "compound_id": "C15241", "inchi": "InChI=1S/C12H7ClO2/c13-7-1-3-9-10-6-8(14)2-4-11(10)15-12(9)5-7/h1-6,14H", "name": "8-Hydroxy-3-chlorodibenzofuran", "names": [ "7-Chloro-2-dibenzofuranol", "8-Hydroxy-3-chlorodibenzofuran" ] }, { "compound_id": "C15242", "inchi": "InChI=1S/C12H7ClO3/c13-9-4-8-7-3-6(14)1-2-11(7)16-12(8)5-10(9)15/h1-5,14-15H", "name": "8-Chloro-2,7-dibenzofurandiol", "names": [ "3,8-Dihydroxy-2-chlorodibenzofuran", "8-Chloro-2,7-dibenzofurandiol" ] }, { "compound_id": "C15243", "inchi": "InChI=1S/C12H6Cl2O2/c13-6-1-2-11-7(3-6)8-4-9(14)10(15)5-12(8)16-11/h1-5,15H", "name": "3-Hydroxy-2,8-dichlorodibenzofuran", "names": [ "2,8-Dichloro-3-dibenzofuranol", "3-Hydroxy-2,8-dichlorodibenzofuran" ] }, { "compound_id": "C15244", "inchi": "InChI=1S/C12H3Cl5O2/c13-4-2-6-7(9(16)8(4)15)3-1-5(14)11(18)10(17)12(3)19-6/h1-2,18H", "name": "7-Hydroxy-1,2,3,6,8-pentachlorodibenzofuran", "names": [ "2,4,7,8,9-Pentachloro-3-dibenzofuranol", "7-Hydroxy-1,2,3,6,8-pentachlorodibenzofuran" ] }, { "compound_id": "C15245", "inchi": "InChI=1S/C12H6Cl2O2/c13-9-4-3-8-7-2-1-6(15)5-10(7)16-12(8)11(9)14/h1-5,15H", "name": "7-Hydroxy-3,4-dichlorodibenzofuran", "names": [ "6,7-Dichloro-3-dibenzofuranol", "7-Hydroxy-3,4-dichlorodibenzofuran" ] }, { "compound_id": "C15246", "inchi": "InChI=1S/C12H6Cl2O2/c13-7-5-4-6-10-8(15)2-1-3-9(10)16-12(6)11(7)14/h1-5,15H", "name": "9-Hydroxy-3,4-dichlorodibenzofuran", "names": [ "6,7-Dichloro-1-dibenzofuranol", "9-Hydroxy-3,4-dichlorodibenzofuran" ] }, { "compound_id": "C15247", "inchi": "InChI=1S/C12H6Cl2O2/c13-6-1-4-10-7(5-6)11-9(15)3-2-8(14)12(11)16-10/h1-5,15H", "name": "9-Hydroxy-2,6-dichlorodibenzofuran", "names": [ "4,8-Dichloro-1-dibenzofuranol", "9-Hydroxy-2,6-dichlorodibenzofuran" ] }, { "compound_id": "C15248", "inchi": "InChI=1S/C12H6Cl4O/c13-7-1-2-9(14)8(5-7)6-3-10(15)12(17)11(16)4-6/h1-5,17H", "name": "4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl", "names": [ "2',3,5,5'-Tetrachloro-4-biphenylol", "4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl" ] }, { "compound_id": "C15249", "inchi": "InChI=1S/C13H13Cl2NO3/c1-12(6-13(12,2)11(18)19)10(17)16-9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3,(H,16,17)(H,18,19)", "name": "2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid", "names": [ "2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid" ] }, { "compound_id": "C15250", "inchi": "InChI=1S/C8H8Cl2N2O2/c1-12(14)8(13)11-5-2-3-6(9)7(10)4-5/h2-4,14H,1H3,(H,11,13)", "name": "3-(3,4-Dichlorophenyl)-1-hydroxy-1-methylurea", "names": [ "3-(3,4-Dichlorophenyl)-1-hydroxy-1-methylurea", "Hydroxylinuron" ] }, { "compound_id": "C15251", "inchi": "InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-25(29)28-16-15-26(20,4)24(21)13-14-27(22,23)5/h17-19,21-24H,6-16H2,1-5H3,(H,28,29)/t19-,21+,22-,23+,24+,26+,27-/m1/s1", "name": "3-Aza-A-homocholest-4a-en-4-one", "names": [ "3-Aza-A-homocholest-4a-en-4-one" ] }, { "compound_id": "C15252", "inchi": "InChI=1S/C20H32O2/c1-12-14-5-4-13-15-6-7-18(22)20(15,3)10-8-16(13)19(14,2)11-9-17(12)21/h12-16,18,22H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,18-,19-,20-/m0/s1", "name": "17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one", "names": [ "17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one", "4,5alpha-Dihydro-4alpha-methyltestosterone" ] }, { "compound_id": "C15253", "inchi": "InChI=1S/C22H31FO3/c1-4-19(25)26-20-18(23)12-17-15-6-5-13-11-14(24)7-9-21(13,2)16(15)8-10-22(17,20)3/h11,15-18,20H,4-10,12H2,1-3H3/t15-,16+,17+,18+,20+,21+,22+/m1/s1", "name": "16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "names": [ "16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "16beta-Fluorotestosterone propionate" ] }, { "compound_id": "C15254", "inchi": "InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19-,20+,21+/m1/s1", "name": "3-(Allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol", "names": [ "3-(2-Propenyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol", "3-(Allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol", "3-Allyloxyestriol" ] }, { "compound_id": "C15255", "inchi": "InChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-17,20-21H,5-8H2,1-2H3/t14-,15+,16+,17+,19+/m1/s1", "name": "1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol", "names": [ "1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol" ] }, { "compound_id": "C15256", "inchi": "InChI=1S/C23H31FO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h8,14-15,17-18,20,27,29H,4-7,9-11H2,1-3H3/t14-,15-,17-,18-,20+,21-,22-,23-/m0/s1", "name": "6alpha-Fluoro-17-hydroxycorticosterone 21-acetate", "names": [ "6alpha-Fluoro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate", "6alpha-Fluoro-17-hydroxycorticosterone 21-acetate" ] }, { "compound_id": "C15257", "inchi": "InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-17,20H,2-10H2,1H3/t14-,15-,16+,17+,18+/m1/s1", "name": "17beta-Hydroxyestr-5(10)-en-3-one", "names": [ "17beta-Hydroxyestr-5(10)-en-3-one", "Prenortestosterone" ] }, { "compound_id": "C15258", "inchi": "InChI=1S/C19H28O2/c1-11-9-15-12(10-17(11)20)3-4-14-13(15)7-8-19(2)16(14)5-6-18(19)21/h10-11,13-16,18,21H,3-9H2,1-2H3/t11-,13+,14-,15+,16+,18+,19+/m1/s1", "name": "17beta-Hydroxy-2alpha-methylestr-4-en-3-one", "names": [ "17beta-Hydroxy-2alpha-methylestr-4-en-3-one", "2alpha-Methyl-19-nortestosterone" ] }, { "compound_id": "C15259", "inchi": "InChI=1S/C20H30O2/c1-12-10-16-13(11-18(12)21)4-5-15-14(16)6-8-19(2)17(15)7-9-20(19,3)22/h11-12,14-17,22H,4-10H2,1-3H3/t12-,14+,15-,16+,17+,19+,20+/m1/s1", "name": "17beta-Hydroxy-2alpha,17-dimethylestr-4-en-3-one", "names": [ "17beta-Hydroxy-2alpha,17-dimethylestr-4-en-3-one", "2alpha,17-Dimethyl-19-nortestosterone" ] }, { "compound_id": "C15260", "inchi": "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,11,14,16-19H,4-8,10,12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1", "name": "5beta-Pregn-11-ene-3,20-dione", "names": [ "5beta-Pregn-11-ene-3,20-dione" ] }, { "compound_id": "C15261", "inchi": "InChI=1S/C18H24O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,13,15-17,19-20H,2,4,6-7,9-10H2,1H3/t13-,15+,16+,17-,18+/m0/s1", "name": "Estra-1,3,5(10)-triene-3,16beta-diol", "names": [ "16beta-Estradiol", "Estra-1,3,5(10)-triene-3,16beta-diol" ] }, { "compound_id": "C15262", "inchi": "InChI=1S/C20H28O/c1-13-10-19-18-6-4-14-11-15(21-3)5-7-16(14)17(18)8-9-20(19,2)12-13/h5,7,11,13,17-19H,4,6,8-10,12H2,1-3H3/t13-,17+,18+,19-,20+/m0/s1", "name": "3-Methoxyestra-1,3,5(10)-trien-16beta-ol", "names": [ "16beta-Estradiol-3-methyl ether", "3-Methoxyestra-1,3,5(10)-trien-16beta-ol" ] }, { "compound_id": "C15263", "inchi": "InChI=1S/C20H28O2/c1-12(21)16-6-7-17-15-5-4-13-10-14(22)11-20(13,3)18(15)8-9-19(16,17)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-/m0/s1", "name": "A-Norpregn-3(5)-ene-2,20-dione", "names": [ "A-Norpregn-3(5)-ene-2,20-dione", "A-Norprogesterone" ] }, { "compound_id": "C15264", "inchi": "InChI=1S/C21H34O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h15-19H,4-13H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1", "name": "17beta-Hydroxy-5alpha-androstane acetate", "names": [ "17beta-Acetoxy-5alpha-androstane", "17beta-Hydroxy-5alpha-androstane acetate" ] }, { "compound_id": "C15265", "inchi": "InChI=1S/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12-13,17-20H,5-11H2,1-4H3/t13-,17+,18-,19-,20+,21-,22-/m0/s1", "name": "16beta-Methylpregn-4-ene-3,20-dione", "names": [ "16beta-Methylpregn-4-ene-3,20-dione", "16beta-Methylprogesterone" ] }, { "compound_id": "C15266", "inchi": "InChI=1S/C23H34O3/c1-4-21(25)26-20-7-5-6-18-17-9-8-15-14-16(24)10-12-22(15,2)19(17)11-13-23(18,20)3/h14,17-20H,4-13H2,1-3H3/t17-,18-,19-,20-,22-,23-/m0/s1", "name": "17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate", "names": [ "17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate", "D-Homotestosterone propionate" ] }, { "compound_id": "C15267", "inchi": "InChI=1S/C22H28O4/c1-21-9-8-15(23)10-13(21)4-6-16-17-7-5-14(11-19(25)26-3)22(17,2)12-18(24)20(16)21/h10-11,16-17,20H,4-9,12H2,1-3H3/b14-11-/t16-,17-,20+,21-,22+/m0/s1", "name": "(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester", "names": [ "(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester" ] }, { "compound_id": "C15268", "inchi": "InChI=1S/C14H11NO3/c16-15(17)12-8-6-11(7-9-12)14-13(18-14)10-4-2-1-3-5-10/h1-9,13-14H/t13-,14-/m0/s1", "name": "trans-2-(4-Nitrophenyl)-3-phenyloxirane", "names": [ "trans- alpha,alpha'-Epoxy-4-nitrobibenzyl", "trans-2-(4-Nitrophenyl)-3-phenyloxirane", "trans-4-Nitrostilbene oxide" ] }, { "compound_id": "C15269", "inchi": "InChI=1S/C24H33FO6/c1-13-10-21(3)15(9-18(13)27)5-6-17-16-7-8-23(30,20(29)12-31-14(2)26)22(16,4)11-19(28)24(17,21)25/h9,13,16-17,19,28,30H,5-8,10-12H2,1-4H3/t13-,16+,17+,19+,21+,22+,23+,24+/m1/s1", "name": "9-Fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate", "names": [ "9-Fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate", "9-Fluoro-2alpha-methylcortisol 21-acetate" ] }, { "compound_id": "C15270", "inchi": "InChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H", "name": "Cycloguanil hydrochloride", "names": [ "1-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine monohydrochloride", "Cycloguanil hydrochloride" ] }, { "compound_id": "C15271", "inchi": "InChI=1S/C22H29FO3/c1-12-10-21(4)14(9-18(12)25)5-6-17-16-8-7-15(13(2)24)20(16,3)11-19(26)22(17,21)23/h9,12,15-17H,5-8,10-11H2,1-4H3/t12-,15-,16+,17+,20-,21+,22+/m1/s1", "name": "9-Fluoro-2alpha-methylpregn-4-ene-3,11,20-trione", "names": [ "9-Fluoro-2alpha-methyl-11-oxoprogesterone", "9-Fluoro-2alpha-methylpregn-4-ene-3,11,20-trione" ] }, { "compound_id": "C15272", "inchi": "InChI=1S/C25H38O5/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)22(19)13-23(25(20,21)5)30-16(3)28/h17-23H,6-13H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1", "name": "3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate", "names": [ "3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate" ] }, { "compound_id": "C15273", "inchi": "InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h9,11,14,16-19H,4-8,10,12-13H2,1-3H3/t14-,16-,17-,18-,19-,21-,22-/m0/s1", "name": "17beta-Hydroxy-5alpha-androst-1-en-3-one propionate", "names": [ "17beta-Hydroxy-5alpha-androst-1-en-3-one propionate" ] }, { "compound_id": "C15274", "inchi": "InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19?,20-,21+,22-,23-,24+,27-,28+,29+,30+/m0/s1", "name": "Allobetulinol", "names": [ "19beta,28-Epoxy-18alpha-oleanan-3beta-ol", "Allobetulin", "Allobetulinol" ] }, { "compound_id": "C15275", "inchi": "InChI=1S/C24H34O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h10,13,16-17,19,21,27,29H,5-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1", "name": "21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione", "names": [ "17-Hydroxy-6alpha-methylcorticosterone 21-acetate", "21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione" ] }, { "compound_id": "C15276", "inchi": "InChI=1S/C19H27FO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-16(21)15(20)10-19(11,14)2/h9,12-15,17,22H,3-8,10H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1", "name": "2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one", "names": [ "2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one", "2alpha-Fluorotestosterone" ] }, { "compound_id": "C15277", "inchi": "InChI=1S/C20H26O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18-,19+,20-/m1/s1", "name": "3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one", "names": [ "3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one" ] }, { "compound_id": "C15278", "inchi": "InChI=1S/C16H18O2/c1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-11,16-18H,1-2H3", "name": "4,4'-(2-Methylpropylidene)bisphenol", "names": [ "4,4'-(2-Methylpropylidene)bisphenol", "4,4'-Isobutylidenediphenol" ] }, { "compound_id": "C15279", "inchi": "InChI=1S/C12H11N5S/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)", "name": "2-Amino-6-(benzylthio)purine", "names": [ "2-Amino-6-(benzylthio)purine", "6-Benzylthioguanine", "Benzythioguanine" ] }, { "compound_id": "C15280", "inchi": "InChI=1S/C25H36O4/c1-14-11-17-18(23(5)9-7-16(27)12-19(14)23)8-10-24(6)20(17)13-21-25(24,15(2)26)29-22(3,4)28-21/h12,14,17-18,20-21H,7-11,13H2,1-6H3/t14-,17+,18-,20-,21+,23+,24-,25+/m0/s1", "name": "16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone", "names": [ "16alpha,17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione cyclic acetal with acetone", "16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone" ] }, { "compound_id": "C15281", "inchi": "InChI=1S/C19H31NO2/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20(21)22)19(15,2)12-10-16(14)18/h13-17H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1", "name": "17beta-Nitro-5alpha-androstane", "names": [ "17beta-Nitro-5alpha-androstane" ] }, { "compound_id": "C15282", "inchi": "InChI=1S/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h16-19H,3-11H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1", "name": "17beta-Hydroxyestr-5(10)-en-3-one acetate", "names": [ "17beta-Hydroxyestr-5(10)-en-3-one acetate", "19-Norandrost-5(10)-en-17beta-acetoxy-3-one" ] }, { "compound_id": "C15283", "inchi": "InChI=1S/C26H40O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h17-18,20-23H,3-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1", "name": "17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate", "names": [ "17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate" ] }, { "compound_id": "C15284", "inchi": "InChI=1S/C23H32O5/c1-13(24)27-20-12-16-17-5-6-21(28-14(2)25)23(17,4)10-8-18(16)22(3)9-7-15(26)11-19(20)22/h11,16-18,20-21H,5-10,12H2,1-4H3/t16-,17-,18-,20+,21-,22+,23-/m0/s1", "name": "6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate", "names": [ "6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate", "6beta-Hydroxytestosterone diacetate" ] }, { "compound_id": "C15285", "inchi": "InChI=1S/C20H34O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h12-17,21-23H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,17+,18-,19-,20-/m0/s1", "name": "17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol", "names": [ "17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol", "U6952" ] }, { "compound_id": "C15286", "inchi": "InChI=1S/C19H28O3/c1-17-8-6-13-11(12(17)3-4-15(17)21)5-10-19-16(22-19)14(20)7-9-18(13,19)2/h11-13,15-16,21H,3-10H2,1-2H3/t11-,12-,13-,15-,16-,17-,18+,19-/m0/s1", "name": "4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one", "names": [ "4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one", "4beta,5beta-Epoxytestosterone" ] }, { "compound_id": "C15287", "inchi": "InChI=1S/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h6,8,10,14-17,22-23H,4-5,7,9,11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-/m0/s1", "name": "11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one", "names": [ "11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one" ] }, { "compound_id": "C15288", "inchi": "InChI=1S/C19H32O2/c1-18-10-4-3-5-12(18)6-7-13-14-8-9-16(21)19(14,2)11-15(20)17(13)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1", "name": "5alpha-Androstane-11beta,17beta-diol", "names": [ "5alpha-Androstane-11beta,17beta-diol" ] }, { "compound_id": "C15289", "inchi": "InChI=1S/C25H36O5/c1-5-21(27)29-20-14-19-17-8-7-15-13-16(26)9-11-24(15,3)18(17)10-12-25(19,4)23(20)30-22(28)6-2/h13,17-20,23H,5-12,14H2,1-4H3/t17-,18+,19+,20-,23+,24+,25+/m1/s1", "name": "16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate", "names": [ "16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate" ] }, { "compound_id": "C15290", "inchi": "InChI=1S/C25H36O5/c1-5-22(27)29-20-14-25(4)15(13-19(20)26)7-8-16-17-9-10-21(30-23(28)6-2)24(17,3)12-11-18(16)25/h13,16-18,20-21H,5-12,14H2,1-4H3/t16-,17-,18-,20+,21-,24-,25-/m0/s1", "name": "2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate", "names": [ "2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate", "2alpha-Hydroxytestosterone dipropionate" ] }, { "compound_id": "C15291", "inchi": "InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1", "name": "6alpha-Hydroxycortisol", "names": [ "6alpha,11beta,17,21-Tetrahydroxypregn-4-ene-3,20-dione", "6alpha-Hydroxycortisol" ] }, { "compound_id": "C15292", "inchi": "InChI=1S/C26H44O/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(27)16-26(19,5)24(21)13-14-25(22,23)4/h17-19,21-24H,6-16H2,1-5H3/t18-,19+,21+,22-,23+,24+,25-,26+/m1/s1", "name": "A-Nor-5alpha-cholestan-2-one", "names": [ "A-Nor-5alpha-cholestan-2-one" ] }, { "compound_id": "C15293", "inchi": "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h8,11,14-15,17,21H,3-7,9-10H2,1-2H3/t14-,15-,17-,18-,19-/m0/s1", "name": "17beta-Hydroxyandrosta-4,9(11)-dien-3-one", "names": [ "17beta-Hydroxyandrosta-4,9(11)-dien-3-one", "9(11)-Dehydrotestosterone" ] }, { "compound_id": "C15294", "inchi": "InChI=1S/C34H51N/c1-22(2)10-9-11-23(3)28-16-17-29-26-15-14-24-20-32-27(25-12-7-8-13-31(25)35(32)6)21-34(24,5)30(26)18-19-33(28,29)4/h7-8,12-13,22-24,26,28-30H,9-11,14-21H2,1-6H3/t23-,24+,26+,28-,29+,30+,33-,34+/m1/s1", "name": "N-Methylindolo[3,2-b]-5alpha-cholest-2-ene", "names": [ "1'-Methyl-1'H-5alpha-cholest-2-eno[3,2-b]indole", "N-Methylindolo[3,2-b]-5alpha-cholest-2-ene" ] }, { "compound_id": "C15295", "inchi": "InChI=1S/C19H24O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-16,18,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,18+,19+/m1/s1", "name": "17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one", "names": [ "16-Oxoestradiol 3-methyl ether", "17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one" ] }, { "compound_id": "C15296", "inchi": "InChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+", "name": "4,4'-Dinitrostilbene", "names": [ "4,4'-Dinitrostilbene" ] }, { "compound_id": "C15297", "inchi": "InChI=1S/C12H7N3O7/c16-13(17)8-2-1-3-10(6-8)22-12-5-4-9(14(18)19)7-11(12)15(20)21/h1-7H", "name": "2,4-Dinitro-1-(3-nitrophenoxy)benzene", "names": [ "2,4-Dinitro-1-(3-nitrophenoxy)benzene", "2,4-Dinitro-3'-nitrodiphenyl ether" ] }, { "compound_id": "C15298", "inchi": "InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-17,20H,5-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1", "name": "5alpha-Androstan-2-en-17beta-ol", "names": [ "17beta-Hydroxy-5alpha-androst-2-ene", "5alpha-Androstan-2-en-17beta-ol" ] }, { "compound_id": "C15299", "inchi": "InChI=1S/C22H32O2/c1-13-11-15-12-16(24)7-9-21(15,3)19-8-10-22(4)17(14(2)23)5-6-18(22)20(13)19/h12-13,17-20H,5-11H2,1-4H3/t13-,17-,18+,19+,20+,21+,22-/m1/s1", "name": "7alpha-Methyl-4-pregnene-3,20-dione", "names": [ "7alpha-Methyl-4-pregnene-3,20-dione", "7alpha-Methylprogesterone" ] }, { "compound_id": "C15300", "inchi": "InChI=1S/C17H17ClO5S/c1-8-5-9(19)6-12(24-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)23-17/h6-8H,5H2,1-4H3", "name": "Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'-methyl-2'-(methylthio)-3,4'-dione", "names": [ "Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'-methyl-2'-(methylthio)-3,4'-dione" ] }, { "compound_id": "C15301", "inchi": "InChI=1S/C22H30O3/c1-12-10-21(3)14(9-18(12)24)5-6-15-17-8-7-16(13(2)23)22(17,4)11-19(25)20(15)21/h9,12,15-17,20H,5-8,10-11H2,1-4H3/t12-,15+,16-,17+,20-,21+,22-/m1/s1", "name": "2alpha-Methylpregn-4-ene-3,11,20-trione", "names": [ "2alpha-Methyl-11-oxoprogesterone", "2alpha-Methylpregn-4-ene-3,11,20-trione" ] }, { "compound_id": "C15302", "inchi": "InChI=1S/C24H34O6/c1-13-10-22(3)15(9-18(13)26)5-6-16-17-7-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22/h9,13,16-17,19,21,27,29H,5-8,10-12H2,1-4H3/t13-,16+,17+,19+,21-,22+,23+,24+/m1/s1", "name": "11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate", "names": [ "11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate", "17-Hydroxy-2alpha-methylcorticosterone 21-acetate", "2alpha-Methylcortisol acetate" ] }, { "compound_id": "C15303", "inchi": "InChI=1S/C21H28O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h7-9,11,16-19,22,24H,3-6,10,12H2,1-2H3/b13-8-/t16-,17-,18-,19+,20-,21+/m0/s1", "name": "(Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one", "names": [ "(Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one" ] }, { "compound_id": "C15304", "inchi": "InChI=1S/C21H30O4/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18,22H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1", "name": "3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate", "names": [ "3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate", "3beta-Acetoxy-19-hydroxyandrost-5-en-17-one" ] }, { "compound_id": "C15305", "inchi": "InChI=1S/C23H31ClO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1", "name": "9-Chloro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate", "names": [ "9-Chloro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate", "9-Chloro-17-hydroxycorticosterone 21-acetate", "9alpha-Chlorocortisol acetate" ] }, { "compound_id": "C15306", "inchi": "InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1", "name": "11alpha,17beta-Dihydroxyandrost-4-en-3-one", "names": [ "11alpha,17beta-Dihydroxyandrost-4-en-3-one", "11alpha-Hydroxytestosterone" ] }, { "compound_id": "C15307", "inchi": "InChI=1S/C20H28O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h6,8,11-12,15-18,22H,4-5,7,9-10H2,1-3H3/t12-,15+,16+,17+,18+,19+,20+/m1/s1", "name": "17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one", "names": [ "1-Dehydro-7alpha-methyltestosterone", "17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one" ] }, { "compound_id": "C15308", "inchi": "InChI=1S/C19H22O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-16,20H,5-8H2,1-2H3/t14-,15+,16+,19+/m1/s1", "name": "3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one", "names": [ "1-Methyl-6-dehydroestrone", "3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one" ] }, { "compound_id": "C15309", "inchi": "InChI=1S/C21H27FO4/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(17(25)11-26-20)19(14,2)10-16(24)21(15,18)22/h9,14-16,24H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1", "name": "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione", "names": [ "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione", "17,21-Epoxy-9-fluoro-11beta-hydroxyprogesterone" ] }, { "compound_id": "C15310", "inchi": "InChI=1S/C23H31FO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1", "name": "6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate", "names": [ "6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate" ] }, { "compound_id": "C15311", "inchi": "InChI=1S/C7H13Cl2NO2.ClH/c1-6(7(11)12)10(4-2-8)5-3-9;/h6H,2-5H2,1H3,(H,11,12);1H", "name": "N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride", "names": [ "N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride" ] }, { "compound_id": "C15312", "inchi": "InChI=1S/C21H29FO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h10,15-18,25H,4-9,11H2,1-3H3/t15-,16+,17+,18+,19-,20+,21+/m1/s1", "name": "9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione", "names": [ "11beta-Hydroxy-9alpha-fluoroprogesterone", "9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione" ] }, { "compound_id": "C15313", "inchi": "InChI=1S/C22H26O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)27-13(2)24)17(16)11-20(25)18(15)10-14/h4-5,10,16-17,19,21H,6-9,11H2,1-3H3/t16-,17-,19+,21+,22+/m1/s1", "name": "3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one", "names": [ "3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one", "3,17beta-Dihydroxyestra-1,3,5(10)-trien-6-one diacetate", "6-Oxo-17beta-estradiol diacetate" ] }, { "compound_id": "C15314", "inchi": "InChI=1S/C22H32O4/c1-4-19(25)26-18-8-7-16-15-6-5-13-11-14(23)9-10-21(13,2)20(15)17(24)12-22(16,18)3/h11,15-18,20,24H,4-10,12H2,1-3H3/t15-,16-,17-,18-,20+,21-,22-/m0/s1", "name": "11beta,17beta-Dihydroxyandrost-4-en-3-one 17-propionate", "names": [ "11beta,17beta-Dihydroxyandrost-4-en-3-one 17-propionate", "11beta-Hydroxytestosterone 17-propionate" ] }, { "compound_id": "C15315", "inchi": "InChI=1S/C19H26O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-17,20-21H,3-8H2,1-2H3/t14-,15+,16+,17+,19+/m1/s1", "name": "1-Methylestra-1,3,5(10)-triene-3,17beta-diol", "names": [ "1-Methylestra-1,3,5(10)-triene-3,17beta-diol", "1-Methylestradiol" ] }, { "compound_id": "C15316", "inchi": "InChI=1S/C20H34O/c1-13-4-5-14-6-7-15-16-8-9-18(21)19(16,2)11-10-17(15)20(14,3)12-13/h13-18,21H,4-12H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-,20-/m0/s1", "name": "5alpha-Androstane-2alpha-methyl-17beta-ol", "names": [ "5alpha-Androstane-2alpha-methyl-17beta-ol" ] }, { "compound_id": "C15317", "inchi": "InChI=1S/C22H31FO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-19,26H,5-9,11H2,1-4H3/t12-,16+,17+,18+,19-,20+,21+,22+/m1/s1", "name": "9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione", "names": [ "9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione" ] }, { "compound_id": "C15318", "inchi": "InChI=1S/C20H30O2/c1-19-10-8-14(21)12-13(19)6-7-15-16-4-3-5-18(22)20(16,2)11-9-17(15)19/h12,15-18,22H,3-11H2,1-2H3/t15-,16-,17-,18-,19-,20-/m0/s1", "name": "17abeta-Hydroxy-D-homoandrost-4-en-3-one", "names": [ "17abeta-Hydroxy-D-homoandrost-4-en-3-one", "D-Homotestosterone" ] }, { "compound_id": "C15319", "inchi": "InChI=1S/C22H29FO5/c1-12-8-16-14-5-7-21(28,18(27)11-24)20(14,3)10-17(26)22(16,23)19(2)6-4-13(25)9-15(12)19/h4,6,9,12,14,16-17,24,26,28H,5,7-8,10-11H2,1-3H3/t12-,14-,16-,17-,19-,20-,21-,22-/m0/s1", "name": "9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione", "names": [ "9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione", "9alpha-Fluoro-6alpha-methylprednisolone" ] }, { "compound_id": "C15320", "inchi": "InChI=1S/C22H31FO4/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9,12,14-15,17,19,25,27H,4-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1", "name": "21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione", "names": [ "21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione", "21-Fluoro-11beta,17-dihydroxy-6alpha-methylprogesterone" ] }, { "compound_id": "C15321", "inchi": "InChI=1S/C22H31FO3/c1-4-20(25)26-19-6-5-15-14-12-18(23)17-11-13(24)7-9-21(17,2)16(14)8-10-22(15,19)3/h11,14-16,18-19H,4-10,12H2,1-3H3/t14-,15-,16-,18-,19-,21+,22-/m0/s1", "name": "6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "names": [ "6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "6alpha-Fluorotestosterone propionate" ] }, { "compound_id": "C15322", "inchi": "InChI=1S/C22H32F2O2/c1-12(25)26-19-7-6-15-14-5-4-13-10-17-18(22(17,23)24)11-21(13,3)16(14)8-9-20(15,19)2/h13-19H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,18+,19-,20-,21-/m0/s1", "name": "2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate", "names": [ "2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate" ] }, { "compound_id": "C15323", "inchi": "InChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-16,20H,3-8H2,1-2H3/t14-,15+,16+,19+/m1/s1", "name": "3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one", "names": [ "1-Methylestrone", "3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one" ] }, { "compound_id": "C15324", "inchi": "InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h13,17-21H,5-12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1", "name": "Androst-4-ene-3beta,17beta-diol diacetate", "names": [ "3beta,17beta-Diacetoxyandrost-4-ene", "Androst-4-ene-3beta,17beta-diol diacetate" ] }, { "compound_id": "C15325", "inchi": "InChI=1S/C17H17NO2/c1-17-7-6-11-12-3-2-10(19)8-15(12)18-9-13(11)14(17)4-5-16(17)20/h2-3,8-9,14,19H,4-7H2,1H3/t14-,17-/m0/s1", "name": "6-Azaequilenin", "names": [ "3-Hydroxy-6-azaestra-1,3,5(10),6,8-pentaen-17-one", "6-Azaequilenin" ] }, { "compound_id": "C15326", "inchi": "InChI=1S/C19H30O2/c1-11-9-15-12(10-17(11)20)3-4-14-13(15)7-8-19(2)16(14)5-6-18(19)21/h11-16,18,21H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16+,18+,19+/m1/s1", "name": "17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one", "names": [ "17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one" ] }, { "compound_id": "C15327", "inchi": "InChI=1S/C21H27FO3/c1-11(23)14-4-5-15-13-9-17(22)16-8-12(24)6-7-20(16,2)19(13)18(25)10-21(14,15)3/h8,13-15,17,19H,4-7,9-10H2,1-3H3/t13-,14+,15-,17-,19+,20-,21+/m0/s1", "name": "6alpha-Fluoropregn-4-ene-3,11,20-trione", "names": [ "6alpha-Fluoro-11-oxoprogesterone", "6alpha-Fluoropregn-4-ene-3,11,20-trione" ] }, { "compound_id": "C15328", "inchi": "InChI=1S/C29H33NO3.ClH/c1-5-30(6-2)17-18-33-25-13-9-22(10-14-25)29-27-16-15-26(32-4)19-23(27)20-28(29)21-7-11-24(31-3)12-8-21;/h7-16,19H,5-6,17-18,20H2,1-4H3;1H", "name": "N,N-Diethyl-2-[4-[6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-yl]phenoxy]ethanamine hydrochloride", "names": [ "N,N-Diethyl-2-[4-[6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-yl]phenoxy]ethanamine hydrochloride" ] }, { "compound_id": "C15329", "inchi": "InChI=1S/C22H29FO4/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1", "name": "21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione", "names": [ "21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione" ] }, { "compound_id": "C15330", "inchi": "InChI=1S/C19H31FO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1", "name": "3beta-Fluoro-5alpha-androstan-17beta-ol", "names": [ "3beta-Fluoro-5alpha-androstan-17beta-ol" ] }, { "compound_id": "C15331", "inchi": "InChI=1S/C23H36O3/c1-5-21(25)26-20-7-6-17-16-12-14(2)19-13-15(24)8-10-22(19,3)18(16)9-11-23(17,20)4/h14,16-20H,5-13H2,1-4H3/t14-,16+,17+,18+,19-,20+,22-,23+/m1/s1", "name": "17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate", "names": [ "17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate", "4,5alpha-Dihydro-6beta-methyltestosterone propionate" ] }, { "compound_id": "C15332", "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12+,13+,14+,17+,18+,19+/m1/s1", "name": "3beta-Hydroxy-5alpha-androstane-7,17-dione", "names": [ "3beta-Hydroxy-5alpha-androstane-7,17-dione" ] }, { "compound_id": "C15333", "inchi": "InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h7,15-17,19,21H,5-6,8-12H2,1-4H3/t15-,16-,17+,19+,21-,22+,23-/m1/s1", "name": "3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate", "names": [ "3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate" ] }, { "compound_id": "C15334", "inchi": "InChI=1S/C21H32O2/c1-19(2)16-7-5-13-14-6-8-18(23)21(14,4)11-9-15(13)20(16,3)12-10-17(19)22/h7,13-15,18,23H,5-6,8-12H2,1-4H3/t13-,14-,15-,18-,20+,21-/m0/s1", "name": "17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one", "names": [ "17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one" ] }, { "compound_id": "C15335", "inchi": "InChI=1S/C19H28O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13,15-17,20H,4-11H2,1-2H3/t13-,15+,16-,17-,18+,19-/m0/s1", "name": "3beta-Hydroxy-5-androsten-16-one", "names": [ "3beta-Hydroxy-5-androsten-16-one", "5-Androsten-3beta-ol-16-one" ] }, { "compound_id": "C15336", "inchi": "InChI=1S/C28H51N/c1-19(2)9-8-10-20(3)23-12-13-24-22-11-14-26-28(6,17-15-21(4)29(26)7)25(22)16-18-27(23,24)5/h19-26H,8-18H2,1-7H3/t20-,21+,22+,23-,24+,25+,26-,27-,28-/m1/s1", "name": "3beta,4-Dimethyl-4-aza-5alpha-cholestane", "names": [ "3beta,4-Dimethyl-4-aza-5alpha-cholestane" ] }, { "compound_id": "C15337", "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,21-25,28H,6-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "Allocholesterol", "names": [ "3beta-Hydroxycholest-4-ene", "Allocholesterol", "Coprostenol" ] }, { "compound_id": "C15338", "inchi": "InChI=1S/C20H31FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12,14-16,23-24H,4-11H2,1-3H3/t12-,14-,15-,16-,17-,18-,19-,20-/m0/s1", "name": "11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one", "names": [ "11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one" ] }, { "compound_id": "C15339", "inchi": "InChI=1S/C21H32O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h11,13,15-17,23H,5-10,12H2,1-4H3/t13-,15-,16+,17+,19+,20+,21+/m1/s1", "name": "17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one", "names": [ "17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one", "2alpha,17-Dimethyltestosterone" ] }, { "compound_id": "C15340", "inchi": "InChI=1S/C21H25F3O2/c1-20-9-7-15-14-6-4-13(26-2)11-12(14)3-5-16(15)17(20)8-10-21(20,25)18(22)19(23)24/h4,6,11,15-17,25H,3,5,7-10H2,1-2H3/t15-,16-,17+,20+,21-/m1/s1", "name": "20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol", "names": [ "17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol", "20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol" ] }, { "compound_id": "C15341", "inchi": "InChI=1S/C11H13FN2O4/c12-11(6-17-9(13)15,7-18-10(14)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,15)(H2,14,16)", "name": "Fluorofelbamate", "names": [ "Fluorofelbamate" ] }, { "compound_id": "C15342", "inchi": "InChI=1S/C21H30O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h7,11,13,15,17,23H,5-6,8-10,12H2,1-4H3/t13-,15-,17+,19+,20+,21+/m1/s1", "name": "17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one", "names": [ "17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one", "9(11)-Dehydro-2alpha,17-dimethyltestosterone" ] }, { "compound_id": "C15343", "inchi": "InChI=1S/C26H23N7O4.2ClH/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24;;/h1-10,15H,11-14H2,(H,27,28)(H,29,30)(H,31,34)(H,32,35);2*1H", "name": "HR1917", "names": [ "4',4''-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride", "HR1917" ] }, { "compound_id": "C15344", "inchi": "InChI=1S/C9H13N5/c1-2-3-4-10-8-7-5-13-14-9(7)12-6-11-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)", "name": "N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine", "names": [ "N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine", "NSC4928" ] }, { "compound_id": "C15345", "inchi": "InChI=1S/C24H38O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h6,17-22,25H,3-5,7-15H2,1-2H3/t17-,18-,19-,20-,21-,22+,23-,24-/m0/s1", "name": "3beta-[(Tetrahydro-2H-pyran-2-yl)oxy]androst-5-en-17beta-ol", "names": [ "3beta-[(Tetrahydro-2H-pyran-2-yl)oxy]androst-5-en-17beta-ol", "Androst-5-ene-3beta,17beta-diol 3-tetrahydropyranyl ether" ] }, { "compound_id": "C15346", "inchi": "InChI=1S/C23H36O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h16-21H,5-13H2,1-4H3/t16-,17-,18-,19-,20-,21-,22-,23-/m0/s1", "name": "5alpha-Androstane-3beta,17beta-diol diacetate", "names": [ "3beta,17beta-Diacetoxy-5alpha-androstane", "5alpha-Androstane-3beta,17beta-diol diacetate" ] }, { "compound_id": "C15347", "inchi": "InChI=1S/C8H10N4S/c1-5(2)13-8-6-7(10-3-9-6)11-4-12-8/h3-5H,1-2H3,(H,9,10,11,12)", "name": "6-(Isopropylthio)purine", "names": [ "6-(Isopropylthio)purine" ] }, { "compound_id": "C15348", "inchi": "InChI=1S/C8H8N4S/c1-2-3-13-8-6-7(10-4-9-6)11-5-12-8/h2,4-5H,1,3H2,(H,9,10,11,12)", "name": "6-(Allylthio)purine", "names": [ "6-(Allylthio)purine" ] }, { "compound_id": "C15349", "inchi": "InChI=1S/C20H32O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h12,14-17,22-23H,4-11H2,1-3H3/t12-,14-,15-,16-,17+,18-,19-,20-/m0/s1", "name": "11beta,17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one", "names": [ "11beta,17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one", "4,5alpha-Dihydro-11beta-hydroxy-17-methyltestosterone" ] }, { "compound_id": "C15350", "inchi": "InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-18-15(12-16)6-8-20-19(18)10-11-24(3)14-17(13-21(20)24)28-23(26)5-2/h7,9,12,17,19-21H,4-6,8,10-11,13-14H2,1-3H3/t17-,19-,20-,21+,24-/m1/s1", "name": "Estra-1,3,5(10)-triene-3,16alpha-diol dipropionate", "names": [ "Estra-1,3,5(10)-triene-3,16alpha-diol dipropionate" ] }, { "compound_id": "C15351", "inchi": "InChI=1S/C19H26O4/c1-18-7-5-12(20)9-11(18)10-15(21)17-13(18)6-8-19(2)14(17)3-4-16(22)23-19/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17+,18-,19-/m0/s1", "name": "7alpha-Hydroxytestololactone", "names": [ "7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione", "7alpha-Hydroxytestololactone" ] }, { "compound_id": "C15352", "inchi": "InChI=1S/C20H26Br2O2/c1-19-7-5-11(23)9-16(19)13(18(21)22)10-12-14-3-4-17(24)20(14,2)8-6-15(12)19/h9,12,14-15,17,24H,3-8,10H2,1-2H3/t12-,14-,15-,17-,19+,20-/m0/s1", "name": "6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one", "names": [ "6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one", "6-(Dibromomethylene)testosterone" ] }, { "compound_id": "C15353", "inchi": "InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1", "name": "17alpha-Methyl-17beta-hydroxyandrosta-4,6-dien-3-one", "names": [ "17alpha-Methyl-17beta-hydroxyandrosta-4,6-dien-3-one", "17alpha-Methyl-6,7-dehydrotestosterone" ] }, { "compound_id": "C15354", "inchi": "InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h12,14-15,17,23H,4-11H2,1-3H3/t12-,14-,15-,17+,18-,19-,20-/m0/s1", "name": "17beta-Hydroxy-17-methyl-5alpha-androstane-3,11-dione", "names": [ "17beta-Hydroxy-17-methyl-5alpha-androstane-3,11-dione" ] }, { "compound_id": "C15355", "inchi": "InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17+,18-,19-,20+,21-/m1/s1", "name": "11alpha-Hydroxy-5beta-pregnane-3,20-dione", "names": [ "11alpha-Hydroxy-5beta-pregnane-3,20-dione" ] }, { "compound_id": "C15356", "inchi": "InChI=1S/C19H33NO/c1-18-10-4-3-5-12(18)6-7-13-14-8-9-16(20)19(14,2)11-15(21)17(13)18/h12-17,21H,3-11,20H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1", "name": "17beta-Amino-5alpha-androstan-11beta-ol", "names": [ "17beta-Amino-5alpha-androstan-11beta-ol" ] }, { "compound_id": "C15357", "inchi": "InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25?,26+,27-/m1/s1", "name": "Cholesta-3,5-dien-7-one", "names": [ "Cholesta-3,5-dien-7-one" ] }, { "compound_id": "C15358", "inchi": "InChI=1S/C20H29ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1", "name": "4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one", "names": [ "4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one", "4-Chloro-17alpha-methyltestosterone" ] }, { "compound_id": "C15359", "inchi": "InChI=1S/C23H30Br2O3/c1-4-20(27)28-19-6-5-16-14-12-15(21(24)25)18-11-13(26)7-9-22(18,2)17(14)8-10-23(16,19)3/h11,14,16-17,19H,4-10,12H2,1-3H3/t14-,16-,17-,19-,22+,23-/m0/s1", "name": "6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate", "names": [ "6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate" ] }, { "compound_id": "C15360", "inchi": "InChI=1S/C16H19NO3.ClH/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12;/h3-10,15-16,18H,17H2,1-2H3;1H", "name": "Evadol hydrochloride", "names": [ "2-Amino-1,2-bis(p-methoxyphenyl)ethanol hydrochloride", "Evadol hydrochloride", "beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride" ] }, { "compound_id": "C15361", "inchi": "InChI=1S/C21H27FO5/c1-11(23)21(27)16(25)9-15-14-5-4-12-8-13(24)6-7-18(12,2)20(14,22)17(26)10-19(15,21)3/h6-8,14-17,25-27H,4-5,9-10H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21+/m0/s1", "name": "Descinolone", "names": [ "9-Fluoro-11beta,16alpha,17-trihydroxypregna-1,4-diene-3,20-dione", "Descinolone" ] }, { "compound_id": "C15362", "inchi": "InChI=1S/C18H21NO4/c1-18-9-8-11-10-4-6-15(20)17(19(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1", "name": "4-Nitroestrone", "names": [ "3-Hydroxy-4-nitroestra-1,3,5(10)-trien-17-one", "4-Nitroestrone" ] }, { "compound_id": "C15363", "inchi": "InChI=1S/C21H30O4/c1-11(22)14-4-5-15-13-9-17(24)16-8-12(23)6-7-20(16,2)19(13)18(25)10-21(14,15)3/h8,13-15,17-19,24-25H,4-7,9-10H2,1-3H3/t13-,14+,15-,17+,18+,19+,20-,21+/m0/s1", "name": "6beta,11alpha-Dihydroxyprogesterone", "names": [ "6beta,11alpha-Dihydroxypregn-4-ene-3,20-dione", "6beta,11alpha-Dihydroxyprogesterone" ] }, { "compound_id": "C15364", "inchi": "InChI=1S/C21H30O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19-,20+,21-/m1/s1", "name": "15alpha-Hydroxyprogesterone", "names": [ "15alpha-Hydroxypregn-4-ene-3,20-dione", "15alpha-Hydroxyprogesterone" ] }, { "compound_id": "C15365", "inchi": "InChI=1S/C21H30O4/c1-20-7-5-13(23)9-12(20)3-4-14-15(20)6-8-21(2)16(14)10-17(24)19(21)18(25)11-22/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15+,16+,17-,19-,20+,21+/m1/s1", "name": "4-Pregnene-16alpha,21-diol-3,20-dione", "names": [ "16alpha,21-Dihydroxypregn-4-ene-3,20-dione", "4-Pregnene-16alpha,21-diol-3,20-dione" ] }, { "compound_id": "C15366", "inchi": "InChI=1S/C18H21NO3/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19-22)17(18)21/h3,5,8,13-15,20,22H,2,4,6-7,9H2,1H3/b19-16+/t13-,14-,15+,18+/m1/s1", "name": "Estrone 16-oxime", "names": [ "3-Hydroxyestra-1,3,5(10)-triene-16,17-dione 16-oxime", "Estrone 16-oxime" ] }, { "compound_id": "C15367", "inchi": "InChI=1S/C20H32O2/c1-19-8-7-17-16(18(19)11-14(21)12-19)5-4-13-10-15(22-3)6-9-20(13,17)2/h4,14-18,21H,5-12H2,1-3H3/t14-,15-,16+,17-,18-,19+,20-/m0/s1", "name": "3beta-Methoxyandrost-5-en-16beta-ol", "names": [ "3beta-Methoxyandrost-5-en-16beta-ol" ] }, { "compound_id": "C15368", "inchi": "InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-16,18,22-23,25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21-/m0/s1", "name": "5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one", "names": [ "(3alpha,5beta,20S)-3,17,20-Trihydroxypregnan-11-one", "5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one", "Pregnanetriolone" ] }, { "compound_id": "C15369", "inchi": "InChI=1S/C22H31FO3/c1-12-10-21(4)14(9-18(12)25)5-6-17-16-8-7-15(13(2)24)20(16,3)11-19(26)22(17,21)23/h9,12,15-17,19,26H,5-8,10-11H2,1-4H3/t12-,15-,16+,17+,19+,20-,21+,22+/m1/s1", "name": "9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione", "names": [ "9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione", "9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone" ] }, { "compound_id": "C15370", "inchi": "InChI=1S/C26H31NO/c1-25-11-9-19(28)15-18(25)7-8-20-21(25)10-12-26(2)22(20)14-17-13-16-5-3-4-6-23(16)27-24(17)26/h3-7,13,19-22,28H,8-12,14-15H2,1-2H3/t19-,20+,21-,22-,25-,26-/m0/s1", "name": "Androsta-5,16-dieno[17,16-b]quinolin-3beta-ol", "names": [ "16,17-(3',2'-Quinolino)androst-5-en-3beta-ol", "Androsta-5,16-dieno[17,16-b]quinolin-3beta-ol" ] }, { "compound_id": "C15371", "inchi": "InChI=1S/C20H27BrO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-15,24H,4-9,11H2,1-3H3/t14-,15-,17-,18-,19-,20-/m0/s1", "name": "9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione", "names": [ "9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione" ] }, { "compound_id": "C15372", "inchi": "InChI=1S/C23H32O5/c1-13(24)27-19-12-23(4)18(7-8-20(23)28-14(2)25)17-6-5-15-11-16(26)9-10-22(15,3)21(17)19/h11,17-21H,5-10,12H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-/m0/s1", "name": "11alpha,17beta-Dihydroxyandrost-4-en-3-one diacetate", "names": [ "11alpha,17beta-Dihydroxyandrost-4-en-3-one diacetate", "11alpha-Hydroxytestosterone diacetate" ] }, { "compound_id": "C15373", "inchi": "InChI=1S/C22H36O2/c1-4-20(23)24-19-11-10-17-16-9-8-15-7-5-6-13-21(15,2)18(16)12-14-22(17,19)3/h15-19H,4-14H2,1-3H3/t15-,16+,17+,18+,19+,21+,22+/m1/s1", "name": "5alpha-Androstan-17beta-ol propionate", "names": [ "5alpha-Androstan-17beta-ol propionate" ] }, { "compound_id": "C15374", "inchi": "InChI=1S/C23H34O3/c1-5-20(25)26-19-7-6-17-21-14(2)12-15-13-16(24)8-10-22(15,3)18(21)9-11-23(17,19)4/h13-14,17-19,21H,5-12H2,1-4H3/t14-,17+,18+,19+,21+,22+,23+/m1/s1", "name": "17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate", "names": [ "17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate", "7alpha-Methyltestosterone propionate" ] }, { "compound_id": "C15375", "inchi": "InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1", "name": "Apocholic acid", "names": [ "3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid", "Apocholic acid" ] }, { "compound_id": "C15376", "inchi": "InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1", "name": "17alpha-Methyl-5alpha-androstane-3alpha,17beta-diol", "names": [ "17alpha-Methyl-5alpha-androstane-3alpha,17beta-diol" ] }, { "compound_id": "C15377", "inchi": "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1", "name": "17beta-Hydroxy-5alpha-androst-1-en-3-one", "names": [ "17beta-Hydroxy-5alpha-androst-1-en-3-one" ] }, { "compound_id": "C15378", "inchi": "InChI=1S/C26H44O/c1-17(2)7-6-8-18(3)22-9-10-23-21-16-19-15-20(27)11-13-25(19,4)24(21)12-14-26(22,23)5/h16-18,20-24,27H,6-15H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1", "name": "B-Norcholesterol", "names": [ "3beta-Hydroxy-B-norcholest-5-ene", "B-Norcholesterol" ] }, { "compound_id": "C15379", "inchi": "InChI=1S/C32H52O4/c1-19(2)11-10-12-20(3)22-13-16-31(8)28-23(34)17-25-29(5,6)26(36-21(4)33)14-15-30(25,7)27(28)24(35)18-32(22,31)9/h19-20,22,25-28H,10-18H2,1-9H3/t20-,22-,25+,26+,27+,28-,30+,31+,32-/m1/s1", "name": "3beta-Hydroxylanostane-7,11-dione acetate", "names": [ "3beta-Hydroxylanostane-7,11-dione acetate" ] }, { "compound_id": "C15380", "inchi": "InChI=1S/C21H29FO4/c1-11(23)18-16(25)9-15-14-5-4-12-8-13(24)6-7-20(12,3)21(14,22)17(26)10-19(15,18)2/h8,14-18,25-26H,4-7,9-10H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m0/s1", "name": "9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione", "names": [ "9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione" ] }, { "compound_id": "C15381", "inchi": "InChI=1S/C21H28F2O3/c1-11(24)13-4-5-14-15-9-17(22)16-8-12(25)6-7-20(16,3)21(15,23)18(26)10-19(13,14)2/h8,13-15,17-18,26H,4-7,9-10H2,1-3H3/t13-,14+,15+,17+,18+,19-,20+,21+/m1/s1", "name": "6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione", "names": [ "6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione", "6alpha,9-Difluoro-11beta-hydroxyprogesterone" ] }, { "compound_id": "C15382", "inchi": "InChI=1S/C24H30O6/c1-13(25)28-16-5-6-17-18-9-10-24(4)21(7-8-23(24)30-15(3)27)19(18)12-22(20(17)11-16)29-14(2)26/h5-6,11,18-19,21-23H,7-10,12H2,1-4H3/t18-,19-,21+,22+,23+,24+/m1/s1", "name": "Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate", "names": [ "Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate" ] }, { "compound_id": "C15383", "inchi": "InChI=1S/C9H9N5O/c10-8(15)12-9-11-7(13-14-9)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14,15)", "name": "(5-Phenyl-1,2,4-triazol-3-yl)urea", "names": [ "(5-Phenyl-1,2,4-triazol-3-yl)urea", "3-Phenyl-5-ureido-1,2,4-triazole" ] }, { "compound_id": "C15384", "inchi": "InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17+,18+,19+,20+,21-/m1/s1", "name": "12alpha-Hydroxy-5beta-pregnane-3,20-dione", "names": [ "12alpha-Hydroxy-5beta-pregnane-3,20-dione" ] }, { "compound_id": "C15385", "inchi": "InChI=1S/C18H24O3/c1-17-10-12(19)9-11(17)3-4-13-14(17)7-8-18(2)15(13)5-6-16(20)21-18/h9,13-15H,3-8,10H2,1-2H3/t13-,14+,15+,17+,18+/m1/s1", "name": "D-Homo-A-nor-17a-oxaandrost-3(5)-ene-2,17-dione", "names": [ "A-Nortestololactone", "D-Homo-A-nor-17a-oxaandrost-3(5)-ene-2,17-dione" ] }, { "compound_id": "C15386", "inchi": "InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h3-4,11,14-16H,5-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1", "name": "D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione", "names": [ "D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione" ] }, { "compound_id": "C15387", "inchi": "InChI=1S/C19H21FO4/c1-17-8-7-12(21)9-11(17)3-4-14-13-5-6-16(23)24-18(13,2)10-15(22)19(14,17)20/h7-9,13-14H,3-6,10H2,1-2H3/t13-,14-,17-,18-,19-/m0/s1", "name": "1-Dehydro-9-fluoro-11-oxotestololactone", "names": [ "1-Dehydro-9-fluoro-11-oxotestololactone" ] }, { "compound_id": "C15388", "inchi": "InChI=1S/C21H28O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h4,6,8,13,17-19,22H,1,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1", "name": "3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol", "names": [ "17-Vinylestradiol 3-methyl ether", "3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol" ] }, { "compound_id": "C15389", "inchi": "InChI=1S/C16H16N4.2ClH/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20;;/h1-10H,(H3,17,18)(H3,19,20);2*1H/b2-1+;;", "name": "4,4'-Stilbenedicarboxamidine dihydrochloride", "names": [ "4,4'-Stilbenedicarboxamidine dihydrochloride", "Stilbamidine dihydrochloride" ] }, { "compound_id": "C15390", "inchi": "InChI=1S/C19H26O3S2/c1-17-7-6-14-12(13(17)3-4-16(21)22-17)5-8-19-10-11(20)9-15(23-24-19)18(14,19)2/h12-15H,3-10H2,1-2H3/t12-,13-,14-,15-,17-,18-,19+/m0/s1", "name": "1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione", "names": [ "1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione" ] }, { "compound_id": "C15391", "inchi": "InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,18+,19+,20+,21-/m1/s1", "name": "3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one", "names": [ "3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one" ] }, { "compound_id": "C15392", "inchi": "InChI=1S/C14H11Cl3/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13-14H", "name": "1-Chloro-4-(2,2-dichloro-1-phenylethyl)benzene", "names": [ "1,1-Dichloro-2-(p-chlorophenyl)-2-phenylethane", "1-Chloro-4-(2,2-dichloro-1-phenylethyl)benzene" ] }, { "compound_id": "C15393", "inchi": "InChI=1S/C13H11ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H", "name": "2-Chlorobenzhydrol", "names": [ "2-Chlorobenzhydrol" ] }, { "compound_id": "C15394", "inchi": "InChI=1S/C15H8F3NO3/c16-15(17,18)14(21)19-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(20)22-12/h1-7H,(H,19,21)", "name": "2,2,2-Trifluoro-N-(6-oxo-6H-dibenzo[b,d]pyran-2-yl)acetamide", "names": [ "2,2,2-Trifluoro-N-(6-oxo-6H-dibenzo[b,d]pyran-2-yl)acetamide", "6-(2,2,2-Trifluoroacetamide)-3,4-benzocoumarin" ] }, { "compound_id": "C15395", "inchi": "InChI=1S/C19H28O2/c1-11-12-3-4-15-14(13(12)5-7-17(11)20)9-10-19(2)16(15)6-8-18(19)21/h13-16,18,21H,3-10H2,1-2H3/t13-,14+,15+,16-,18-,19-/m0/s1", "name": "17beta-Hydroxy-4-methylestr-4-en-3-one", "names": [ "17beta-Hydroxy-4-methylestr-4-en-3-one", "4-Methyl-19-nortestosterone" ] }, { "compound_id": "C15396", "inchi": "InChI=1S/C19H29ClO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1", "name": "3beta-Chloro-5-androsten-17beta-ol", "names": [ "3beta-Chloro-5-androsten-17beta-ol" ] }, { "compound_id": "C15397", "inchi": "InChI=1S/C8H7ClN4S/c1-5(9)2-14-8-6-7(11-3-10-6)12-4-13-8/h3-4H,1-2H2,(H,10,11,12,13)", "name": "6-(2-Chloroallylthio)purine", "names": [ "6-(2-Chloroallylthio)purine" ] }, { "compound_id": "C15398", "inchi": "InChI=1S/C24H46O2/c1-5-7-9-11-13-15-17-19-23(3,25)21-22-24(4,26)20-18-16-14-12-10-8-6-2/h25-26H,5-20H2,1-4H3", "name": "10,13-Dimethyl-11-docosyne-10,13-diol", "names": [ "10,13-Dimethyl-11-docosyne-10,13-diol" ] }, { "compound_id": "C15399", "inchi": "InChI=1S/C20H34O2/c1-18-10-5-4-6-13(18)7-8-14-15-9-11-20(3,22)19(15,2)12-16(21)17(14)18/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18+,19+,20+/m1/s1", "name": "17-Methyl-5alpha-androstane-11beta,17beta-diol", "names": [ "17-Methyl-5alpha-androstane-11beta,17beta-diol" ] }, { "compound_id": "C15400", "inchi": "InChI=1S/C20H29ClO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1", "name": "9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one", "names": [ "9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one", "9-Chloro-11beta-hydroxy-17-methyltestosterone" ] }, { "compound_id": "C15401", "inchi": "InChI=1S/C21H32O3/c1-12-14-6-5-13-15-7-10-21(4,24)20(15,3)11-17(23)18(13)19(14,2)9-8-16(12)22/h13,15,17-18,23-24H,5-11H2,1-4H3/t13-,15-,17-,18+,19-,20-,21-/m0/s1", "name": "11beta,17beta-Dihydroxy-4,17-dimethylandrost-4-en-3-one", "names": [ "11beta,17beta-Dihydroxy-4,17-dimethylandrost-4-en-3-one", "11beta-Hydroxy-4,17-dimethyltestosterone" ] }, { "compound_id": "C15402", "inchi": "InChI=1S/C21H30O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h5,8,12-13,16-18,23H,6-7,9-11H2,1-4H3/t13-,16+,17+,18-,19+,20+,21+/m1/s1", "name": "17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one", "names": [ "1-Dehydro-7alpha,17-dimethyltestosterone", "17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one" ] }, { "compound_id": "C15403", "inchi": "InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1", "name": "3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one", "names": [ "3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one", "Tetrahydro-21-deoxycortisol" ] }, { "compound_id": "C15404", "inchi": "InChI=1S/C23H34O5/c1-13(24)23(27)10-8-18-17-6-5-15-11-16(28-14(2)25)7-9-21(15,3)20(17)19(26)12-22(18,23)4/h15-18,20,27H,5-12H2,1-4H3/t15-,16-,17-,18-,20+,21-,22-,23-/m0/s1", "name": "3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate", "names": [ "3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate" ] }, { "compound_id": "C15405", "inchi": "InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1", "name": "17beta-Carbomethoxyandrost-5-en-3beta-ol", "names": [ "17beta-Carbomethoxyandrost-5-en-3beta-ol", "3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester" ] }, { "compound_id": "C15406", "inchi": "InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-8,11,13-14,17H,3-6,9-10H2,1-2H3/t11-,13-,14-,17+,18-,19-/m0/s1", "name": "5alpha-Androst-1-ene-3,11,17-trione", "names": [ "5alpha-Androst-1-ene-3,11,17-trione" ] }, { "compound_id": "C15407", "inchi": "InChI=1S/C20H27ClO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-15,24H,4-9,11H2,1-3H3/t14-,15-,17-,18-,19-,20-/m0/s1", "name": "9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione", "names": [ "9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione" ] }, { "compound_id": "C15408", "inchi": "InChI=1S/C22H31FO3/c1-4-20(25)26-19-8-7-15-14-6-5-13-11-18(24)17(23)12-22(13,3)16(14)9-10-21(15,19)2/h11,14-17,19H,4-10,12H2,1-3H3/t14-,15-,16-,17+,19-,21-,22-/m0/s1", "name": "2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "names": [ "2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "2alpha-Fluorotestosterone propionate" ] }, { "compound_id": "C15409", "inchi": "InChI=1S/C21H30O3/c1-4-19(23)24-18-8-7-16-15-6-5-13-11-14(22)12-21(13,3)17(15)9-10-20(16,18)2/h11,15-18H,4-10,12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1", "name": "17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate", "names": [ "17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate" ] }, { "compound_id": "C15410", "inchi": "InChI=1S/C14H12Cl2/c1-10(11-6-8-12(15)9-7-11)13-4-2-3-5-14(13)16/h2-10H,1H3", "name": "1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane", "names": [ "1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane", "1-Chloro-2-[1-(4-chlorophenyl)ethyl]benzene" ] }, { "compound_id": "C15411", "inchi": "InChI=1S/C14H14ClN.ClH/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-10,13-14H,16H2;1H", "name": "beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride", "names": [ "2-Chloro-1,2-diphenylethylamine hydrochloride", "beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride" ] }, { "compound_id": "C15412", "inchi": "InChI=1S/C20H30O2/c1-12-14-5-4-13-15-6-7-18(22)20(15,3)10-8-16(13)19(14,2)11-9-17(12)21/h13,15-16,18,22H,4-11H2,1-3H3/t13-,15-,16-,18-,19-,20-/m0/s1", "name": "17beta-Hydroxy-4-methylandrost-4-en-3-one", "names": [ "17beta-Hydroxy-4-methylandrost-4-en-3-one", "4-Methyltestosterone" ] }, { "compound_id": "C15413", "inchi": "InChI=1S/C22H34O2/c1-19(2)17-7-6-14-15(20(17,3)11-10-18(19)23)8-12-21(4)16(14)9-13-22(21,5)24/h7,14-16,24H,6,8-13H2,1-5H3/t14-,15+,16+,20-,21+,22+/m1/s1", "name": "17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one", "names": [ "17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one" ] }, { "compound_id": "C15414", "inchi": "InChI=1S/C21H29FO3/c1-12(23)25-19-5-4-15-14-11-18(22)17-10-13(24)6-8-20(17,2)16(14)7-9-21(15,19)3/h10,14-16,18-19H,4-9,11H2,1-3H3/t14-,15-,16-,18-,19-,20+,21-/m0/s1", "name": "6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate", "names": [ "6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate", "6alpha-Fluorotestosterone acetate" ] }, { "compound_id": "C15415", "inchi": "InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)", "name": "1-Phenyl-5-mercaptotetrazole", "names": [ "1-Phenyl-5-mercaptotetrazole", "1-Phenyltetrazole-5-thiol" ] }, { "compound_id": "C15416", "inchi": "InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h12-15,17,22H,3-10H2,1-2H3/t12-,13-,14-,15+,17-,18+,19-/m0/s1", "name": "17beta-Hydroxy-5alpha-androstan-3,6-dione", "names": [ "17beta-Hydroxy-5alpha-androstan-3,6-dione", "6-Ketodihydrotestosterone" ] }, { "compound_id": "C15417", "inchi": "InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23+/m0/s1", "name": "3beta-Hydroxy-5alpha-pregnan-20-one acetate", "names": [ "3beta-Acetoxy-5alpha-pregnan-20-one", "3beta-Hydroxy-5alpha-pregnan-20-one acetate" ] }, { "compound_id": "C15418", "inchi": "InChI=1S/C10H13N3O2/c1-7(8-5-3-2-4-6-8)12-9(14)10(15)13-11/h2-7H,11H2,1H3,(H,12,14)(H,13,15)", "name": "5-(alpha-Phenylethyl)semioxamazide", "names": [ "5-(alpha-Methylbenzyl)semioxamazide", "5-(alpha-Phenylethyl)semioxamazide" ] }, { "compound_id": "C15419", "inchi": "InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m0/s1", "name": "trans-2-Phenylcyclopropanecarboxylic acid", "names": [ "trans-2-Phenylcyclopropanecarboxylic acid" ] }, { "compound_id": "C15420", "inchi": "InChI=1S/C21H32O/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3/h4-5,15-19H,6-13H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-/m1/s1", "name": "5alpha-Pregn-2-en-20-one", "names": [ "5alpha-Pregn-2-en-20-one" ] }, { "compound_id": "C15421", "inchi": "InChI=1S/C22H34O2/c1-14-5-6-16-7-8-17-18-9-10-20(24-15(2)23)21(18,3)12-11-19(17)22(16,4)13-14/h5,16-20H,6-13H2,1-4H3/t16-,17+,18+,19+,20+,21+,22+/m1/s1", "name": "2-Methyl-5alpha-androst-2-en-17beta-ol acetate", "names": [ "2-Methyl-5alpha-androst-2-en-17beta-ol acetate" ] }, { "compound_id": "C15422", "inchi": "InChI=1S/C25H40O3/c1-16-15-25(3)17(14-21(16)26)7-8-18-19-9-10-22(24(19,2)12-11-20(18)25)28-23-6-4-5-13-27-23/h16-20,22-23H,4-15H2,1-3H3/t16-,17+,18+,19+,20+,22+,23+,24+,25+/m1/s1", "name": "2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha-androstan-3-one", "names": [ "2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha-androstan-3-one" ] }, { "compound_id": "C15423", "inchi": "InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h13,17-21H,5-12H2,1-4H3/t17-,18+,19+,20+,21+,22+,23+/m1/s1", "name": "Androst-4-ene-3alpha,17beta-diol diacetate", "names": [ "3alpha,17beta-Diacetoxyandrost-4-ene", "Androst-4-ene-3alpha,17beta-diol diacetate" ] }, { "compound_id": "C15424", "inchi": "InChI=1S/C18H25O5P/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,17+,18+/m1/s1", "name": "Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate", "names": [ "17beta-Estradiol 3-phosphate", "Estra-1,3,5(10)-triene-3,17beta-diol 3-(dihydrogen phosphate)", "Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate" ] }, { "compound_id": "C15425", "inchi": "InChI=1S/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1", "name": "21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate", "names": [ "11-Deoxycorticosterone hydrogen succinate", "21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione", "21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate" ] }, { "compound_id": "C15426", "inchi": "InChI=1S/C6H10O2.2Hg.2HI/c1-5-3-8-6(2)4-7-5;;;;/h5-6H,1-4H2;;;2*1H/q;2*+1;;/p-2", "name": "2,5-Bis[(iodomercuri)methyl]-p-dioxane", "names": [ "2,5-Bis[(iodomercuri)methyl]-p-dioxane" ] }, { "compound_id": "C15427", "inchi": "InChI=1S/C14H13Cl2NO/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14,18H,17H2", "name": "2-Amino-1,2-bis(p-chlorophenyl)ethanol", "names": [ "2-Amino-1,2-bis(p-chlorophenyl)ethanol" ] }, { "compound_id": "C15428", "inchi": "InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38?,39+,40-,41?,42+,44+,45+,46-,47-,48+/m1/s1", "name": "Asiaticoside", "names": [ "Asiaticoside", "Madecassol" ] }, { "compound_id": "C15429", "inchi": "InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-17,22,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,22+,23-,24-,25-/m0/s1", "name": "17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)", "names": [ "17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)", "21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-3,11,20-trione", "Cortisone 21-succinate" ] }, { "compound_id": "C15430", "inchi": "InChI=1S/C20H25NO4/c1-20-9-8-15-14-5-3-13(22)10-12(14)2-4-16(15)17(20)6-7-18(20)21-25-11-19(23)24/h3,5,10,15-17,22H,2,4,6-9,11H2,1H3,(H,23,24)/b21-18+/t15-,16-,17+,20+/m1/s1", "name": "3-Hydroxyestra-1,3,5(10)-trien-17-one O-(carboxymethyl)oxime", "names": [ "3-Hydroxyestra-1,3,5(10)-trien-17-one O-(carboxymethyl)oxime", "Estrone 17-O-carboxymethyloxime" ] }, { "compound_id": "C15431", "inchi": "InChI=1S/C21H32O/c1-4-21(22)14-11-18-16-9-8-15-7-5-6-12-19(15,2)17(16)10-13-20(18,21)3/h1,15-18,22H,5-14H2,2-3H3/t15-,16-,17+,18+,19+,20+,21+/m1/s1", "name": "17-Ethynyl-5alpha-androstan-17beta-ol", "names": [ "17-Ethynyl-5alpha-androstan-17beta-ol", "5alpha,17alpha-Pregn-20-yn-17beta-ol" ] }, { "compound_id": "C15432", "inchi": "InChI=1S/C23H31FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1", "name": "Flurogestone acetate", "names": [ "9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione 17-acetate", "9alpha-Fluoro-11-hydroxy,17alpha-acetoxyprogesterone", "Flurogestone acetate" ] }, { "compound_id": "C15433", "inchi": "InChI=1S/C17H9NO4/c19-15-7-8-16(20)18(15)10-5-6-12-11-3-1-2-4-13(11)17(21)22-14(12)9-10/h1-9H", "name": "1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione", "names": [ "1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione" ] }, { "compound_id": "C15434", "inchi": "InChI=1S/C20H30O3/c1-11-18(23)17-14(15-6-7-16(22)20(11,15)3)5-4-12-10-13(21)8-9-19(12,17)2/h10-11,14-18,22-23H,4-9H2,1-3H3/t11-,14-,15-,16-,17+,18-,19-,20-/m0/s1", "name": "11beta,17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one", "names": [ "11beta,17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one", "11beta-Hydroxy-12alpha-methyltestosterone" ] }, { "compound_id": "C15435", "inchi": "InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;", "name": "Fenbutatin oxide", "names": [ "Bis[tris(2-methyl-2-phenylpropyl)tin]oxide", "Fenbutatin oxide" ] }, { "compound_id": "C15436", "inchi": "InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1", "name": "Didecyldimethylammonium chloride", "names": [ "Didecyldimethylammonium chloride", "N-Decyl-N,N-dimethyl-1-decanaminium chloride" ] }, { "compound_id": "C15437", "inchi": "InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2", "name": "1,3,5-Triphenylcyclohexane", "names": [ "1,3,5-Triphenylcyclohexane" ] }, { "compound_id": "C15438", "inchi": "InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3", "name": "Bis(2-butoxyethyl)phthalate", "names": [ "Bis(2-butoxyethyl)phthalate", "beta-Butoxyethyl phthalate" ] }, { "compound_id": "C15439", "inchi": "InChI=1S/C12H15O6P/c1-10(2)12(13)16-8-9-17-19(14,15)18-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,14,15)", "name": "2-Methacryloyloxyethyl phenyl phosphate", "names": [ "2-Methacryloyloxyethyl phenyl phosphate", "Phenyl-P" ] }, { "compound_id": "C15440", "inchi": "InChI=1S/C24H30O6/c1-13(25)28-16-5-6-17-18-9-10-24(4)21(7-8-23(24)30-15(3)27)19(18)12-22(20(17)11-16)29-14(2)26/h5-6,11,18-19,21-23H,7-10,12H2,1-4H3/t18-,19-,21+,22-,23+,24+/m1/s1", "name": "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate", "names": [ "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate" ] }, { "compound_id": "C15441", "inchi": "InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1", "name": "Cholesteryl linoleate", "names": [ "(Z,Z)-(3beta)-Cholest-5-en-3-ol 9,12-octadecadienoate", "Cholesteryl linoleate" ] }, { "compound_id": "C15442", "inchi": "InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15+,16-,17-,18+,19-/m0/s1", "name": "5-Androstene-3beta,16beta-diol", "names": [ "5-Androstene-3beta,16beta-diol" ] }, { "compound_id": "C15443", "inchi": "InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19+,20+,21+/m1/s1", "name": "3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol", "names": [ "3-(2-Propenyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol", "3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol" ] }, { "compound_id": "C15444", "inchi": "InChI=1S/C20H31FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12,14-16,23-24H,4-11H2,1-3H3/t12-,14+,15+,16+,17+,18+,19+,20+/m1/s1", "name": "11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one", "names": [ "11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one" ] }, { "compound_id": "C15445", "inchi": "InChI=1S/C33H49N/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-31-26(24-11-6-7-12-30(24)34-31)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25,27-29,34H,8-10,13-20H2,1-5H3/t22-,23+,25+,27-,28+,29+,32-,33+/m1/s1", "name": "1'H-5alpha-Cholest-2-eno[3,2-b]indole", "names": [ "1'H-5alpha-Cholest-2-eno[3,2-b]indole" ] }, { "compound_id": "C15446", "inchi": "InChI=1S/C22H31FO3/c1-4-20(25)26-19-6-5-15-14-12-18(23)17-11-13(24)7-9-21(17,2)16(14)8-10-22(15,19)3/h11,14-16,18-19H,4-10,12H2,1-3H3/t14-,15-,16-,18+,19-,21+,22-/m0/s1", "name": "6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "names": [ "6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "6beta-Fluorotestosterone propionate" ] }, { "compound_id": "C15447", "inchi": "InChI=1S/C22H31FO3/c1-4-19(25)26-20-18(23)12-17-15-6-5-13-11-14(24)7-9-21(13,2)16(15)8-10-22(17,20)3/h11,15-18,20H,4-10,12H2,1-3H3/t15-,16+,17+,18-,20+,21+,22+/m1/s1", "name": "16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "names": [ "16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", "16alpha-Fluorotestosterone propionate" ] }, { "compound_id": "C15448", "inchi": null, "name": "Urethane dimethacrylate", "names": [ "UDMA", "Urethane dimethacrylate" ] }, { "compound_id": "C15449", "inchi": "InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m0/s1", "name": "trans-1,2-Diphenylcyclobutane", "names": [ "trans-1,2-Diphenylcyclobutane" ] }, { "compound_id": "C15450", "inchi": "InChI=1S/C20H34O4.Na/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24;/h7,9-10,12,16-19,21-22H,2-6,8,11,13-15H2,1H3,(H,23,24);/q;+1/p-1/b10-7-,12-9+;/t16-,17-,18-,19+;/m1./s1", "name": "S 1033", "names": [ "(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt", "S 1033" ] }, { "compound_id": "C15451", "inchi": "InChI=1S/C16H22O7/c1-8(2)9-4-3-5-10(18)11(6-9)22-16-15(21)14(20)13(19)12(7-17)23-16/h3-6,8,12-17,19-21H,7H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1", "name": "Hinokitiol glucoside", "names": [ "Hinokitiol glucoside", "beta-Thujaplicin 2-O-beta-D-glucoside" ] }, { "compound_id": "C15452", "inchi": "InChI=1S/C14H14N2.2ClH/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;;/h1-10H,15-16H2;2*1H/b2-1+;;", "name": "4,4'-Diaminostilbene dihydrochloride", "names": [ "4,4'-Diaminostilbene dihydrochloride" ] }, { "compound_id": "C15453", "inchi": "InChI=1S/C19H22O3/c1-4-17-16-7-5-12-11-13(22-3)6-8-14(12)15(16)9-10-19(17,2)18(20)21/h5-8,11,17H,4,9-10H2,1-3H3,(H,20,21)/t17-,19+/m0/s1", "name": "Doisynoestrol", "names": [ "Doisynoestrol", "cis-1-Ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid" ] }, { "compound_id": "C15454", "inchi": "InChI=1S/C19H24O2/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-20H,4-5H2,1-3H3/t18-,19+/m1/s1", "name": "Hexestrol monomethyl ether", "names": [ "(R*,S*)-4-[1-Ethyl-2-(4-methoxyphenyl)butyl]phenol", "Hexestrol monomethyl ether" ] }, { "compound_id": "C15455", "inchi": "InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1", "name": "Sodium molybdate", "names": [ "Sodium molybdate", "Sodium molybdate(VI)" ] }, { "compound_id": "C15456", "inchi": "InChI=1S/C19H24O4/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)23-19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1", "name": "11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone", "names": [ "11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone" ] }, { "compound_id": "C15457", "inchi": "InChI=1S/C15H13NO4/c1-19-13-8-4-11(5-9-13)15-14(20-15)10-2-6-12(7-3-10)16(17)18/h2-9,14-15H,1H3/t14-,15-/m0/s1", "name": "trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane", "names": [ "trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane", "trans-4-Methoxy-4'-nitrostilbene oxide" ] }, { "compound_id": "C15458", "inchi": "InChI=1S/C22H23NO2/c1-3-22(24,18-12-14-19(25-2)15-13-18)21(17-9-5-4-6-10-17)20-11-7-8-16-23-20/h4-16,21,24H,3H2,1-2H3/t21-,22+/m0/s1", "name": "(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol", "names": [ "(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol" ] }, { "compound_id": "C15459", "inchi": "InChI=1S/C20H28O4/c1-19-10-12(11-21)17(22)9-13(19)3-4-14-15(19)7-8-20(2)16(14)5-6-18(23)24-20/h11,13-16,21H,3-10H2,1-2H3/b12-11-/t13-,14+,15-,16-,19-,20-/m0/s1", "name": "13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone", "names": [ "13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone" ] }, { "compound_id": "C15460", "inchi": "InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h7,13,15,17,22H,4-6,8-12H2,1-3H3/t13-,15+,17-,18-,19-,20-/m0/s1", "name": "17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one", "names": [ "17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one" ] }, { "compound_id": "C15461", "inchi": "InChI=1S/C27H32O6/c1-14(28)17-5-6-18-24(17,3)9-8-19-25(4)10-7-16(32-15(2)29)13-26(25)11-12-27(18,19)21-20(26)22(30)33-23(21)31/h8,11-12,16-18,20-21H,5-7,9-10,13H2,1-4H3", "name": "17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate", "names": [ "17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate" ] }, { "compound_id": "C15462", "inchi": "InChI=1S/C15H19NO3/c1-19-12-3-4-13-10(8-12)6-7-16-9-11(15(17)18)2-5-14(13)16/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,17,18)/t11-,14+/m1/s1", "name": "cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid", "names": [ "cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid" ] }, { "compound_id": "C15463", "inchi": "InChI=1S/C18H21FO/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18,20H,3-4H2,1-2H3/t17-,18+/m0/s1", "name": "(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol", "names": [ "(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol" ] }, { "compound_id": "C15464", "inchi": "InChI=1S/C17H30O/c1-16(18)12-8-6-4-2-3-5-7-9-13-17-14-10-11-15-17/h10,14,17H,2-9,11-13,15H2,1H3", "name": "(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone", "names": [ "(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone" ] }, { "compound_id": "C15465", "inchi": "InChI=1S/C17H30O3/c1-19-16(18)11-9-7-5-3-2-4-6-8-10-14-12-13-15-17(14)20-15/h14-15,17H,2-13H2,1H3", "name": "6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester", "names": [ "6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester" ] }, { "compound_id": "C15466", "inchi": "InChI=1S/C17H11NO5/c19-15(7-8-16(20)21)18-10-5-6-12-11-3-1-2-4-13(11)17(22)23-14(12)9-10/h1-9H,(H,18,19)(H,20,21)/b8-7-", "name": "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)maleamic acid", "names": [ "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)maleamic acid" ] }, { "compound_id": "C15467", "inchi": "InChI=1S/C22H30O3/c1-19-8-4-16-14(15(19)5-9-21(19)10-6-18(24)25-21)11-17(23)22-12-13(22)3-7-20(16,22)2/h6,10,13-17,23H,3-5,7-9,11-12H2,1-2H3/t13?,14-,15-,16-,17+,19-,20+,21+,22?/m0/s1", "name": "6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone", "names": [ "6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone" ] }, { "compound_id": "C15468", "inchi": "InChI=1S/C21H30O2/c1-4-20(23)10-7-15-14-11-17(22)21-12-13(21)5-8-19(21,3)16(14)6-9-18(15,20)2/h1,13-17,22-23H,5-12H2,2-3H3/t13?,14-,15-,16-,17+,18-,19+,20-,21?/m0/s1", "name": "3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol", "names": [ "3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol" ] }, { "compound_id": "C15469", "inchi": null, "name": "Butylated hydroxyanisole", "names": [ "BHA", "Butylated hydroxyanisole", "Butylhydroxyanisole" ] }, { "compound_id": "C15470", "inchi": null, "name": "Toxaphene", "names": [ "Camphechlor", "Toxaphene" ] }, { "compound_id": "C15471", "inchi": "InChI=1/Bi", "name": "Bismuth", "names": [ "Bismuth" ] }, { "compound_id": "C15472", "inchi": "InChI=1S/GeH4/h1H4", "name": "Germanium", "names": [ "Germanium" ] }, { "compound_id": "C15473", "inchi": "InChI=1/Li", "name": "Lithium", "names": [ "Lithium" ] }, { "compound_id": "C15474", "inchi": "InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)", "name": "Tropolone", "names": [ "Tropolone" ] }, { "compound_id": "C15475", "inchi": "InChI=1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3", "name": "U 0521", "names": [ "U 0521" ] }, { "compound_id": "C15476", "inchi": "InChI=1S/C12H15N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3/t11-/m1/s1", "name": "Norselegiline", "names": [ "Norselegiline" ] }, { "compound_id": "C15477", "inchi": "InChI=1S/C12H19N3O/c1-3-8-15(9-4-2)10-13-11-6-5-7-12(16)14-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,16)/b13-10+", "name": "CGP 28014", "names": [ "CGP 28014" ] }, { "compound_id": "C15478", "inchi": "InChI=1S/C6H13NO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6?/m1/s1", "name": "D-Fucosamine", "names": [ "2-Amino-2,6-dideoxy-D-galactose", "D-Fucosamine" ] }, { "compound_id": "C15479", "inchi": "InChI=1S/C6H13NO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4-,5-,6?/m1/s1", "name": "D-Quinovosamine", "names": [ "2-Amino-2,6-dideoxy-D-glucose", "D-Quinovosamine" ] }, { "compound_id": "C15480", "inchi": "InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7-,8?/m1/s1", "name": "N-Acetyl-D-fucosamine", "names": [ "2-Acetamido-2,6-dideoxy-D-galactose", "N-Acetyl-D-fucosamine" ] }, { "compound_id": "C15481", "inchi": "InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6-,7-,8?/m1/s1", "name": "N-Acetyl-D-quinovosamine", "names": [ "2-Acetamido-2,6-dideoxy-D-glucose", "N-Acetyl-D-quinovosamine" ] }, { "compound_id": "C15482", "inchi": "InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1", "name": "Bacitracin A", "names": [ "Bacitracin A" ] }, { "compound_id": "C15483", "inchi": null, "name": "D-Galactonolactone", "names": [ "D-Galactonolactone" ] }, { "compound_id": "C15484", "inchi": "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1", "name": "Allopregnanolone", "names": [ "3beta-Hydroxy-5alpha-pregnane-20-one", "Allopregnanolone" ] }, { "compound_id": "C15485", "inchi": "InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1", "name": "2'-Deoxymugineic acid", "names": [ "2'-Deoxymugineic acid" ] }, { "compound_id": "C15486", "inchi": "InChI=1S/C12H18N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-8,13H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-/m0/s1", "name": "3''-Deamino-3''-oxonicotianamine", "names": [ "3''-Deamino-3''-oxonicotianamine" ] }, { "compound_id": "C15487", "inchi": null, "name": "(2R)-Hydroxy-carboxylate", "names": [ "(2R)-Hydroxy-carboxylate", "(R)-2-Hydroxycarboxylic acid" ] }, { "compound_id": "C15488", "inchi": "InChI=1S/C2H3FO/c3-1-2-4/h2H,1H2", "name": "Fluoroacetaldehyde", "names": [ "Fluoroacetaldehyde" ] }, { "compound_id": "C15489", "inchi": "InChI=1S/C31H43N8O17P3S/c1-31(2,26(43)29(44)34-8-7-21(40)33-9-10-60-22(41)11-17-12-35-19-6-4-3-5-18(17)19)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)39-16-38-23-27(32)36-15-37-28(23)39/h3-6,12,15-16,20,24-26,30,35,42-43H,7-11,13-14H2,1-2H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,36,37)(H2,45,46,47)/t20-,24-,25-,26?,30-/m1/s1", "name": "S-2-(Indol-3-yl)acetyl-CoA", "names": [ "S-2-(Indol-3-yl)acetyl-CoA" ] }, { "compound_id": "C15492", "inchi": "InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,17,21H,7,10,13-15H2,1-5H3/b9-6+,12-11+,16-8+", "name": "all-trans-13,14-Dihydroretinol", "names": [ "13,14-Dihydroretinol", "all-trans-13,14-Dihydroretinol" ] }, { "compound_id": "C15493", "inchi": "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+", "name": "9-cis-Retinoic acid", "names": [ "9-cis-Retinoic acid" ] }, { "compound_id": "C15494", "inchi": "InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3", "name": "Decylubiquinone", "names": [ "2,3-Dimethoxy-5-methyl-6-decyl-1,4-benzoquinone", "6-Decylubiquinone", "Decylubiquinone" ] }, { "compound_id": "C15495", "inchi": "InChI=1S/C19H32O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h20-21H,5-13H2,1-4H3", "name": "Decylubiquinol", "names": [ "2-Decyl-5,6-dimethoxy-3-methyl-1,4-benzenediol", "6-Decylubiquinol", "Decylubiquinol" ] }, { "compound_id": "C15496", "inchi": null, "name": "Oxidized thiol-containing reductant", "names": [ "Oxidized thiol-containing reductant", "R'-S-S-R'", "Thiol-containing reductant disulfide form" ] }, { "compound_id": "C15497", "inchi": "InChI=1S/C11H16N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1,3-4,7-9,11,14-16H,2,5H2,(H2,12,17)/t7-,8-,9-,11-/m1/s1", "name": "1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide", "names": [ "1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide", "Reduced nicotinamide riboside" ] }, { "compound_id": "C15498", "inchi": null, "name": "ROOH", "names": [ "Hydroperoxide", "ROOH" ] }, { "compound_id": "C15499", "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3", "name": "Pentane-2,4-dione", "names": [ "2,4-Dioxopentane", "Acetylacetone", "Pentane-2,4-dione" ] }, { "compound_id": "C15500", "inchi": "InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1", "name": "Mugineic acid", "names": [ "Mugineic acid" ] }, { "compound_id": "C15501", "inchi": "InChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/t5-,6-,7-,8-,9-/m0/s1", "name": "3-Epihydroxymugineic acid", "names": [ "3-Epihydroxymugineic acid" ] }, { "compound_id": "C15502", "inchi": "InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-6(10(17)18)2-4-14-5-8(16)9(14)12(21)22/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1", "name": "3-Epihydroxy-2'-deoxymugineic acid", "names": [ "3-Epihydroxy-2'-deoxymugineic acid" ] }, { "compound_id": "C15503", "inchi": "InChI=1S/C9H11NO5/c11-7-3-1-6(2-4-7)5-8(9(12)13)10(14)15/h1-4,8,11,14-15H,5H2,(H,12,13)/t8-/m0/s1", "name": "N,N-Dihydroxy-L-tyrosine", "names": [ "N,N-Dihydroxy-L-tyrosine" ] }, { "compound_id": "C15504", "inchi": "InChI=1S/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(20)13-9(16(21)22)5-8(17)6-12(13)23-2/h3-6,17-19H,1-2H3,(H,21,22)", "name": "Demethylsulochrin", "names": [ "Demethylsulochrin" ] }, { "compound_id": "C15505", "inchi": "InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H", "name": "2,3,5,6-Tetrachlorophenol", "names": [ "2,3,5,6-Tetrachlorophenol" ] }, { "compound_id": "C15506", "inchi": null, "name": "Steroid ester", "names": [ "Steroid ester" ] }, { "compound_id": "C15507", "inchi": null, "name": "Steroid lactone", "names": [ "Steroid lactone" ] }, { "compound_id": "C15508", "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3", "name": "1,2-Epoxypropane", "names": [ "1,2-Epoxypropane", "1,2-Propylene oxide", "Propylene oxide" ] }, { "compound_id": "C15509", "inchi": "InChI=1S/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3/t19-,20+/m0/s1", "name": "Glyceocarpin", "names": [ "2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan", "Glyceocarpin" ] }, { "compound_id": "C15510", "inchi": "InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3/t19-,20+/m0/s1", "name": "4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan", "names": [ "4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan", "4-Dimethylallylglycinol" ] }, { "compound_id": "C15511", "inchi": "InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1", "name": "Glyceollin III", "names": [ "Glyceollin III" ] }, { "compound_id": "C15512", "inchi": "InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3", "name": "Phenylacetone", "names": [ "1-Phenyl-2-propanone", "Phenylacetone" ] }, { "compound_id": "C15513", "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3", "name": "Benzyl acetate", "names": [ "Benzyl acetate" ] }, { "compound_id": "C15514", "inchi": "InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-/t14-,15-/m1/s1", "name": "8'-Hydroxyabscisate", "names": [ "8'-Hydroxyabscisate" ] }, { "compound_id": "C15515", "inchi": "InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1", "name": "Murideoxycholic acid", "names": [ "3alpha,6beta-Dihydroxy-5beta-cholanic acid", "6beta-Hydroxylithocholate", "Murideoxycholate", "Murideoxycholic acid" ] }, { "compound_id": "C15516", "inchi": "InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-,26-/m1/s1", "name": "Taurohyocholate", "names": [ "N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine", "Taurohyocholate" ] }, { "compound_id": "C15517", "inchi": "InChI=1/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1/f/h27H", "name": "Hyodeoxycholate", "names": [ "Hyodeoxycholate" ] }, { "compound_id": "C15518", "inchi": "InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1", "name": "(24S)-Cholest-5-ene-3beta,7alpha,24-triol", "names": [ "(24S)-Cholest-5-ene-3beta,7alpha,24-triol", "5-Cholesten-3beta,7alpha,24(S)-triol" ] }, { "compound_id": "C15519", "inchi": "InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1", "name": "25-Hydroxycholesterol", "names": [ "25-Hydroxycholesterol", "Cholest-5-ene-3beta,25-diol" ] }, { "compound_id": "C15520", "inchi": "InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1", "name": "Cholest-5-ene-3beta,7alpha,25-triol", "names": [ "3beta,7alpha,25-Trihydroxycholest-5-ene", "5-Cholesten-3beta,7alpha,25-triol", "7alpha,25-Dihydroxycholesterol", "Cholest-5-ene-3beta,7alpha,25-triol" ] }, { "compound_id": "C15521", "inchi": null, "name": "Alkanesulfonate", "names": [ "Alkanesulfonate" ] }, { "compound_id": "C15522", "inchi": "InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)/t3-,4+,5-,9-/m0/s1", "name": "4a-Hydroxytetrahydrobiopterin", "names": [ "(6R)-6-(L-erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin", "4a-Hydroxy-5,6,4,8-tetrahydrobiopterin", "4a-Hydroxytetrahydrobiopterin" ] }, { "compound_id": "C15523", "inchi": "InChI=1S/C6H5NO4/c8-4-2-1-3(6(10)11)5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)", "name": "2,6-Dihydroxynicotinate", "names": [ "2,6-Dihydroxynicotinate" ] }, { "compound_id": "C15524", "inchi": "InChI=1S/C29H40N7O18P3S/c1-29(2,23(40)26(41)32-9-8-18(37)31-10-11-58-28(42)20(38)16-6-4-3-5-7-16)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(39)27(52-17)36-15-35-19-24(30)33-14-34-25(19)36/h3-7,14-15,17,21-23,27,39-40H,8-13H2,1-2H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,21-,22-,23?,27-/m1/s1", "name": "Phenylglyoxylyl-CoA", "names": [ "Phenylglyoxylyl-CoA" ] }, { "compound_id": "C15525", "inchi": "InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+", "name": "Eriodictyol chalcone", "names": [ "2',3,4,4',6'-Pentahydroxychalcone", "Eriodictyol chalcone" ] }, { "compound_id": "C15527", "inchi": "InChI=1S/C41H46N4O16/c1-41(17-40(60)61)24(5-9-36(52)53)31-15-29-22(11-38(56)57)19(3-7-34(48)49)27(43-29)14-28-21(10-37(54)55)18(2-6-33(46)47)25(42-28)13-26-20(4-8-35(50)51)23(12-39(58)59)30(44-26)16-32(41)45-31/h16,24,42-44H,2-15,17H2,1H3,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/b32-16-/t24-,41+/m1/s1", "name": "Precorrin 1", "names": [ "Precorrin 1" ] }, { "compound_id": "C15528", "inchi": null, "name": "[Cytochrome c]-arginine", "names": [ "[Cytochrome c]-arginine" ] }, { "compound_id": "C15529", "inchi": null, "name": "[Cytochrome c]-N(omega)-methylarginine", "names": [ "[Cytochrome c]-N(omega)-methylarginine" ] }, { "compound_id": "C15530", "inchi": "InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1", "name": "Corydaline", "names": [ "(+)-Corydaline", "Corydaline" ] }, { "compound_id": "C15531", "inchi": "InChI=1S/C16H14O4/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,17-18H,1H3/b9-4+", "name": "2'-O-Methylisoliquiritigenin", "names": [ "2'-O-Methylisoliquiritigenin" ] }, { "compound_id": "C15532", "inchi": "InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1", "name": "N-Acetyl-L-citrulline", "names": [ "N-Acetyl-L-citrulline" ] }, { "compound_id": "C15533", "inchi": "InChI=1S/C4H8FNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3+/m1/s1", "name": "4-Fluoro-L-threonine", "names": [ "4-Fluoro-L-threonine" ] }, { "compound_id": "C15534", "inchi": null, "name": "2-Arylethylamine", "names": [ "2-Arylethylamine" ] }, { "compound_id": "C15535", "inchi": null, "name": "N-Acetyl-2-arylethylamine", "names": [ "N-Acetyl-2-arylethylamine" ] }, { "compound_id": "C15536", "inchi": "InChI=1S/C19H30O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,12-18,20H,3,6-11H2,1-2H3/t12-,13+,14+,15-,16-,17+,18+/m1/s1", "name": "Dihydromonacolin L", "names": [ "Dihydromonacolin L" ] }, { "compound_id": "C15537", "inchi": "InChI=1S/C28H40O8/c1-14-12-21(34-17(4)30)25-26(36-19(6)32)24-15(2)20(33-16(3)29)10-11-28(24,9)13-22(35-18(5)31)23(14)27(25,7)8/h20-22,24-26H,2,10-13H2,1,3-9H3/t20-,21-,22-,24-,25-,26-,28-/m0/s1", "name": "Taxuyunnanin C", "names": [ "Taxuyunnanin C" ] }, { "compound_id": "C15538", "inchi": "InChI=1S/C26H38O7/c1-13-11-20(32-16(4)28)23-24(33-17(5)29)22-14(2)19(31-15(3)27)9-10-26(22,8)12-18(30)21(13)25(23,6)7/h18-20,22-24,30H,2,9-12H2,1,3-8H3/t18-,19-,20-,22-,23-,24-,26-/m0/s1", "name": "10-Desacetyltaxuyunnanin C", "names": [ "10-Desacetyltaxuyunnanin C" ] }, { "compound_id": "C15539", "inchi": null, "name": "Anthocyanidin 3-O-beta-D-glucoside", "names": [ "Anthocyanidin 3-O-beta-D-glucoside" ] }, { "compound_id": "C15540", "inchi": null, "name": "Anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside)", "names": [ "Anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside)" ] }, { "compound_id": "C15541", "inchi": null, "name": "NDP-glucose", "names": [ "NDP-D-glucose", "NDP-glucose" ] }, { "compound_id": "C15542", "inchi": "InChI=1S/C61H101O9P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-68-71(66,67)70-61-60(65)59(64)58(63)57(45-62)69-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58-,59+,60+,61+/m1/s1", "name": "D-Mannosyl-1-phosphoundecaprenol", "names": [ "D-Mannosyl-1-phosphoundecaprenol" ] }, { "compound_id": "C15543", "inchi": null, "name": "6-(alpha-D-Mannosyl)-beta-D-mannosyl-R", "names": [ "6-(alpha-D-Mannosyl)-beta-D-mannosyl-R" ] }, { "compound_id": "C15544", "inchi": null, "name": "4-(N-Acetyl-beta-D-glucosaminyl)-beta-D-mannosyl-R", "names": [ "4-(N-Acetyl-beta-D-glucosaminyl)-beta-D-mannosyl-R" ] }, { "compound_id": "C15545", "inchi": "InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-", "name": "cis-Zeatin", "names": [ "(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol", "cis-Zeatin" ] }, { "compound_id": "C15546", "inchi": "InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2-/t9-,11-,12+,13-,16-/m1/s1", "name": "O-beta-D-Glucopyranosyl-cis-zeatin", "names": [ "O-beta-D-Glucopyranosyl-cis-zeatin", "cis-Zeatin-O-glucoside" ] }, { "compound_id": "C15547", "inchi": "InChI=1S/C32H42N7O19P3S/c1-32(2,26(44)29(45)35-8-7-21(41)34-9-10-62-31(46)18-11-19(40)16-5-3-4-6-17(16)23(18)42)13-55-61(52,53)58-60(50,51)54-12-20-25(57-59(47,48)49)24(43)30(56-20)39-15-38-22-27(33)36-14-37-28(22)39/h3-6,11,14-15,20,24-26,30,40,42-44H,7-10,12-13H2,1-2H3,(H,34,41)(H,35,45)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t20-,24-,25-,26?,30-/m1/s1", "name": "1,4-Dihydroxy-2-naphthoyl-CoA", "names": [ "1,4-Dihydroxy-2-naphthoyl-CoA" ] }, { "compound_id": "C15548", "inchi": "InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10?,11?,12?/m1/s1", "name": "2-alpha-D-Glucosyl-D-glucose", "names": [ "2-alpha-D-Glucosyl-D-glucose" ] }, { "compound_id": "C15549", "inchi": "InChI=1S/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1", "name": "Anthocyanin", "names": [ "Anthocyanin" ] }, { "compound_id": "C15550", "inchi": "InChI=1S/C21H21O7/c22-11-16-17(23)18(24)19(25)21(28-16)27-15-10-13-8-4-5-9-14(13)26-20(15)12-6-2-1-3-7-12/h1-10,16-19,21-25H,11H2/q+1/t16-,17-,18+,19-,21-/m1/s1", "name": "Anthocyanin 3'-O-beta-D-glucoside", "names": [ "Anthocyanin 3'-O-beta-D-glucoside" ] }, { "compound_id": "C15551", "inchi": "InChI=1S/C16H18ClN3O4.Na/c1-2-3-8-14-18-16(17)13(9-15(21)22)19(14)10-11-6-4-5-7-12(11)20(23)24;/h4-7H,2-3,8-10H2,1H3,(H,21,22);/q;+1/p-1", "name": "CV 2961", "names": [ "CV 2961", "S 8308" ] }, { "compound_id": "C15552", "inchi": "InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)", "name": "PD 123177", "names": [ "PD 123177" ] }, { "compound_id": "C15553", "inchi": "InChI=1S/C31H32N4O3/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38)/t28-/m0/s1", "name": "PD 123319", "names": [ "PD 123319" ] }, { "compound_id": "C15554", "inchi": "InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)", "name": "EXP 3174", "names": [ "EXP 3174" ] }, { "compound_id": "C15555", "inchi": "InChI=1S/C21H20O8/c22-10-14-16(24)17(25)18(26)21(28-14)29-20-15(23)12-8-4-5-9-13(12)27-19(20)11-6-2-1-3-7-11/h1-9,14,16-18,21-22,24-26H,10H2/t14-,16?,17+,18-,21+/m1/s1", "name": "Flavonol 3-O-D-glycoside", "names": [ "Flavonol 3-O-D-glycoside", "Flavonol 3-O-beta-D-glycoside" ] }, { "compound_id": "C15556", "inchi": "InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)", "name": "L-3,4-Dihydroxybutan-2-one 4-phosphate", "names": [ "1-Deoxy-L-glycero-tetrulose 4-phosphate", "2-Hydroxy-3-oxobutyl phosphate", "L-3,4-Dihydroxybutan-2-one 4-phosphate" ] }, { "compound_id": "C15557", "inchi": "InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1", "name": "Glycolithocholate", "names": [ "Glycolithocholate", "Glycolithocholic acid" ] }, { "compound_id": "C15558", "inchi": null, "name": "Dermatan 6'-sulfate", "names": [ "Dermatan 6'-sulfate" ] }, { "compound_id": "C15559", "inchi": "InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)35-36(32,33)34/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1", "name": "Glycochenodeoxycholate 7-sulfate", "names": [ "Glycochenodeoxycholate 7-sulfate" ] }, { "compound_id": "C15560", "inchi": "InChI=1S/C45H74N7O19P3S/c1-24(28-9-10-29-27-8-7-25-18-26(53)12-14-44(25,4)30(27)19-32(54)45(28,29)5)6-11-34(56)75-17-16-47-33(55)13-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-32,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24-,25-,26-,27+,28-,29+,30+,31-,32+,36-,37-,38?,42-,44+,45-/m1/s1", "name": "Deoxycholoyl-CoA", "names": [ "Deoxycholoyl-CoA" ] }, { "compound_id": "C15561", "inchi": "InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)", "name": "N-Benzylformamide", "names": [ "N-Benzylformamide" ] }, { "compound_id": "C15562", "inchi": "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2", "name": "Benzylamine", "names": [ "Benzenemethanamine", "Benzylamine" ] }, { "compound_id": "C15563", "inchi": "InChI=1S/C10H16N5O9P/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(24-9)1-23-25(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H2,20,21,22)(H4,11,13,14,15,19)/t3-,5-,6-,9-/m1/s1", "name": "2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one", "names": [ "2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one" ] }, { "compound_id": "C15564", "inchi": null, "name": "(R)-2-Haloacid", "names": [ "(R)-2-Haloacid" ] }, { "compound_id": "C15565", "inchi": null, "name": "(S)-2-Hydroxyacid", "names": [ "(S)-2-Hydroxy acid", "(S)-2-Hydroxyacid", "(S)-2-Hydroxyalkanoic acid", "(S)-2-Hydroxycarboxylic acid" ] }, { "compound_id": "C15566", "inchi": "InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)/t6-/m1/s1", "name": "D-Dopachrome", "names": [ "D-Dopachrome" ] }, { "compound_id": "C15567", "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-14(18)11-6-5-10(17)7-12(11)20-15(13)19/h1-7,13,15-17,19H", "name": "2,7,4'-Trihydroxyisoflavanone", "names": [ "2,7,4'-Trihydroxyisoflavanone" ] }, { "compound_id": "C15568", "inchi": "InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h10,13,16-20,22,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1", "name": "7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate", "names": [ "7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate" ] }, { "compound_id": "C15569", "inchi": "InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1", "name": "12alpha-Hydroxy-3-oxochola-4,6-dienoate", "names": [ "12alpha-Hydroxy-3-oxochola-4,6-dienoate" ] }, { "compound_id": "C15570", "inchi": "InChI=1S/C15H12O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,14-15,17H", "name": "Dihydroflavonol", "names": [ "Dihydroflavonol" ] }, { "compound_id": "C15571", "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H", "name": "Catechol", "names": [ "Catechol" ] }, { "compound_id": "C15572", "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3", "name": "Guaiacol", "names": [ "Guaiacol" ] }, { "compound_id": "C15573", "inchi": null, "name": "beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminylproteoglycan", "names": [ "beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminylproteoglycan" ] }, { "compound_id": "C15574", "inchi": null, "name": "N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminylproteoglycan", "names": [ "N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminylproteoglycan" ] }, { "compound_id": "C15575", "inchi": null, "name": "N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosylproteoglycan", "names": [ "N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosylproteoglycan" ] }, { "compound_id": "C15576", "inchi": null, "name": "beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosylproteoglycan", "names": [ "beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosylproteoglycan" ] }, { "compound_id": "C15577", "inchi": null, "name": "N-Acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosylproteoglycan", "names": [ "N-Acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosylproteoglycan" ] }, { "compound_id": "C15578", "inchi": null, "name": "beta-D-Glucuronosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosylproteoglycan", "names": [ "beta-D-Glucuronosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosylproteoglycan" ] }, { "compound_id": "C15579", "inchi": "InChI=1S/C27H32O12/c1-12-20(30)22(32)24(34)26(35-12)39-25-23(33)21(31)19(11-28)38-27(25)36-14-7-8-15-16(29)10-17(37-18(15)9-14)13-5-3-2-4-6-13/h2-9,12,17,19-28,30-34H,10-11H2,1H3/t12-,17?,19+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1", "name": "Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]", "names": [ "Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]" ] }, { "compound_id": "C15580", "inchi": "InChI=1S/C21H20O9/c22-9-14-16(24)17(25)19(27)21(30-14)28-11-6-7-12-13(8-11)29-20(18(26)15(12)23)10-4-2-1-3-5-10/h1-8,14,16-17,19,21-22,24-27H,9H2/t14-,16-,17+,19-,21-/m1/s1", "name": "Flavonol 7-O-beta-D-glucoside", "names": [ "Flavonol 7-O-beta-D-glucoside" ] }, { "compound_id": "C15581", "inchi": "InChI=1S/C27H30O13/c28-10-15-18(31)20(33)22(35)26(37-15)40-25-21(34)19(32)16(11-29)38-27(25)39-24-17(30)13-8-4-5-9-14(13)36-23(24)12-6-2-1-3-7-12/h1-9,15-16,18-22,25-29,31-35H,10-11H2/t15-,16-,18-,19-,20+,21+,22-,25-,26+,27+/m1/s1", "name": "Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside", "names": [ "Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside" ] }, { "compound_id": "C15582", "inchi": "InChI=1S/C33H40O18/c34-10-16-20(38)23(41)26(44)31(46-16)50-29-24(42)21(39)18(12-36)48-33(29)51-30-25(43)22(40)17(11-35)47-32(30)49-28-19(37)14-8-4-5-9-15(14)45-27(28)13-6-2-1-3-7-13/h1-9,16-18,20-26,29-36,38-44H,10-12H2/t16-,17-,18-,20-,21-,22-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1", "name": "Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside", "names": [ "Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside" ] }, { "compound_id": "C15583", "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3", "name": "Phenyl acetate", "names": [ "Phenyl acetate" ] }, { "compound_id": "C15584", "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H", "name": "Phenol", "names": [ "Phenol" ] }, { "compound_id": "C15585", "inchi": null, "name": "myo-Inositol phosphate", "names": [ "myo-Inositol phosphate" ] }, { "compound_id": "C15586", "inchi": "InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1", "name": "N-D-Ribosylpurine", "names": [ "N-D-Ribosylpurine", "Purine nucleoside" ] }, { "compound_id": "C15587", "inchi": "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)", "name": "Purine", "names": [ "Purine", "Purine base" ] }, { "compound_id": "C15588", "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2", "name": "Glycol", "names": [ "Glycol" ] }, { "compound_id": "C15589", "inchi": "InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+", "name": "Chalcone", "names": [ "Chalcone" ] }, { "compound_id": "C15590", "inchi": null, "name": "Acylglycerol", "names": [ "Acylglycerol" ] }, { "compound_id": "C15591", "inchi": "InChI=1S/C18H18O7/c1-7-14(22)12(9(3)20)16(24)13(15(7)23)18(4)6-5-10(21)11(8(2)19)17(18)25/h5-6,21-24H,1-4H3/t18-/m1/s1", "name": "2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one", "names": [ "2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one" ] }, { "compound_id": "C15592", "inchi": null, "name": "Pyranose", "names": [ "Pyranose" ] }, { "compound_id": "C15593", "inchi": null, "name": "2-Dehydropyranose", "names": [ "2-Dehydropyranose" ] }, { "compound_id": "C15594", "inchi": null, "name": "Pyranoside", "names": [ "Pyranoside" ] }, { "compound_id": "C15595", "inchi": null, "name": "3-Dehydropyranoside", "names": [ "3-Dehydropyranoside" ] }, { "compound_id": "C15596", "inchi": null, "name": "n-Alkanal", "names": [ "n-Alkanal" ] }, { "compound_id": "C15597", "inchi": null, "name": "Alk-2-enal", "names": [ "Alk-2-enal" ] }, { "compound_id": "C15598", "inchi": "InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2", "name": "Favan-3-ol", "names": [ "Favan-3-ol" ] }, { "compound_id": "C15599", "inchi": "InChI=1S/C14H14N2O8/c15-7(13(21)22)2-4-1-5-6(12(19)20)3-8(14(23)24)16-9(5)11(18)10(4)17/h1,6-8,16H,2-3,15H2,(H,19,20)(H,21,22)(H,23,24)", "name": "6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate", "names": [ "6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate", "6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid" ] }, { "compound_id": "C15601", "inchi": null, "name": "Glyceollin", "names": [ "Glyceollin" ] }, { "compound_id": "C15602", "inchi": null, "name": "Quinone", "names": [ "Quinone" ] }, { "compound_id": "C15603", "inchi": null, "name": "Hydroquinone", "names": [ "Hydroquinone", "Quinol", "p-Hydroquinone" ] }, { "compound_id": "C15604", "inchi": "", "name": "Prenal", "names": [ "Prenal" ] }, { "compound_id": "C15605", "inchi": "InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m1/s1", "name": "N-Formyl-D-kynurenine", "names": [ "N-Formyl-D-kynurenine" ] }, { "compound_id": "C15606", "inchi": "InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/b6-4-", "name": "1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one", "names": [ "1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one" ] }, { "compound_id": "C15607", "inchi": "InChI=1S/C4H6N2O4/c5-4(10)6-2(7)1-3(8)9/h1H2,(H,8,9)(H3,5,6,7,10)", "name": "3-Oxo-3-ureidopropanoate", "names": [ "3-Oxo-3-ureidopropanoate", "Malonuric acid" ] }, { "compound_id": "C15608", "inchi": "InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H", "name": "Flavone", "names": [ "Flavone" ] }, { "compound_id": "C15609", "inchi": "InChI=1S/C15H12O4/c16-10-5-9(6-11(17)7-10)15-8-13(18)12-3-1-2-4-14(12)19-15/h1-7,15-17H,8H2", "name": "3',5'-Dihydroxyflavanone", "names": [ "3',5'-Dihydroxyflavanone" ] }, { "compound_id": "C15610", "inchi": "InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "Cholest-5-ene-3beta,26-diol", "names": [ "26-Hydroxycholesterol", "27-Hydroxycholesterol", "Cholest-5-ene-3beta,26-diol", "Cholest-5-ene-3beta,27-diol" ] }, { "compound_id": "C15612", "inchi": "InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1", "name": "Senecionine N-oxide", "names": [ "Senecionine N-oxide" ] }, { "compound_id": "C15613", "inchi": "InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40?,44-,47+,48-/m1/s1", "name": "(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA", "names": [ "(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA" ] }, { "compound_id": "C15614", "inchi": "InChI=1S/C48H80N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-34,36,38-40,44,56-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34+,36+,38-,39-,40?,44-,47+,48-/m1/s1", "name": "(24R,25R)-3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA", "names": [ "(24R,25R)-3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA" ] }, { "compound_id": "C15615", "inchi": "InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H", "name": "7-Hydroxyisoflavone", "names": [ "7-Hydroxyisoflavone" ] }, { "compound_id": "C15616", "inchi": "InChI=1S/C16H12O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-10H,1H3", "name": "7-Methoxyisoflavone", "names": [ "7-Methoxyisoflavone" ] }, { "compound_id": "C15617", "inchi": "InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)", "name": "Pirinixic acid", "names": [ "Pirinixic acid" ] }, { "compound_id": "C15618", "inchi": "InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)", "name": "Sobetirome", "names": [ "GC-1", "Sobetirome" ] }, { "compound_id": "C15619", "inchi": "InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)", "name": "Am 580", "names": [ "Am 580" ] }, { "compound_id": "C15620", "inchi": "InChI=1S/C35H36F3N3O5/c1-4-44-34(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)45-19-18-31-24(3)46-33(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1", "name": "GW 6471", "names": [ "GW 6471" ] }, { "compound_id": "C15622", "inchi": "InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)", "name": "GW 7647", "names": [ "GW 7647" ] }, { "compound_id": "C15623", "inchi": "InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,35,36)/b21-19-/t28-/m0/s1", "name": "GW 409544", "names": [ "GW 409544", "GW 9544" ] }, { "compound_id": "C15624", "inchi": "InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)", "name": "GW 2433", "names": [ "GW 2433" ] }, { "compound_id": "C15625", "inchi": "InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)", "name": "GW 0742", "names": [ "GW 0742" ] }, { "compound_id": "C15626", "inchi": "InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1", "name": "GW 1929", "names": [ "GW 1929" ] }, { "compound_id": "C15627", "inchi": "InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)", "name": "GW 9662", "names": [ "2-Chloro-5-nitrobenzanilide", "GW 9662" ] }, { "compound_id": "C15628", "inchi": "InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3", "name": "SR 12813", "names": [ "GW 485801", "SR 12813" ] }, { "compound_id": "C15629", "inchi": "InChI=1S/C8H12N4OS2/c1-3-4-12-6(13)5-15-8(12)11-10-7(14)9-2/h3H,1,4-5H2,2H3,(H2,9,10,14)/b11-8-", "name": "CGP 52608", "names": [ "CGP 52608" ] }, { "compound_id": "C15630", "inchi": "InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2", "name": "T 0901317", "names": [ "T 0901317" ] }, { "compound_id": "C15631", "inchi": "InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)", "name": "GW 3965", "names": [ "GW 3965" ] }, { "compound_id": "C15632", "inchi": "InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1", "name": "24(S),25-Epoxycholesterol", "names": [ "24(S),25-Epoxycholesterol" ] }, { "compound_id": "C15633", "inchi": "InChI=1S/C27H44O3/c1-16(6-9-22-24(2,3)29-22)19-7-8-20-18-14-23-27(30-23)15-17(28)10-13-26(27,5)21(18)11-12-25(19,20)4/h16-23,28H,6-15H2,1-5H3/t16-,17+,18+,19-,20+,21+,22+,23+,25-,26-,27+/m1/s1", "name": "5,6-24(S),25-Diepoxycholesterol", "names": [ "(24S,25)-Epoxycholesterol alpha-epoxide", "5,6-24(S),25-Diepoxycholesterol" ] }, { "compound_id": "C15634", "inchi": "InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+", "name": "Arotinoid acid", "names": [ "Arotinoid acid", "Ro 13-7410", "TTNPB" ] }, { "compound_id": "C15635", "inchi": "InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+", "name": "GW 4064", "names": [ "GW 4064" ] }, { "compound_id": "C15636", "inchi": "InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1", "name": "6-Ethylchenodeoxycholic acid", "names": [ "6-ECDCA", "6-Ethyl-CDCA", "6-Ethylchenodeoxycholic acid", "6alpha-Ethyl-chenodeoxycholic acid" ] }, { "compound_id": "C15637", "inchi": "InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1", "name": "Pregnenolone carbonitrile", "names": [ "3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile", "PCN", "Pregnenolone carbonitrile", "Pregnenolone-16alpha-carbonitrile" ] }, { "compound_id": "C15638", "inchi": "InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1", "name": "3-Androstanol", "names": [ "3-Androstanol", "5alpha-Androstan-3alpha-ol", "Androstanol" ] }, { "compound_id": "C15639", "inchi": "InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+", "name": "CITCO", "names": [ "6-(4-Chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime", "CITCO" ] }, { "compound_id": "C15640", "inchi": "InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)", "name": "LG 100268", "names": [ "LG 100268" ] }, { "compound_id": "C15641", "inchi": "InChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+", "name": "XCT 790", "names": [ "XCT 790" ] }, { "compound_id": "C15642", "inchi": "InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+", "name": "GSK 4716", "names": [ "GSK 4716" ] }, { "compound_id": "C15643", "inchi": "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1", "name": "Dexamethasone", "names": [ "Dexamethasone" ] }, { "compound_id": "C15644", "inchi": "InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+", "name": "GW 0791", "names": [ "GW 0791" ] }, { "compound_id": "C15645", "inchi": null, "name": "1-(1-Alkenyl)-sn-glycerol", "names": [ "1-(1-Alkenyl)-sn-glycerol" ] }, { "compound_id": "C15646", "inchi": null, "name": "1-(1-Alkenyl)-sn-glycero-3-phosphate", "names": [ "1-(1-Alkenyl)-sn-glycero-3-phosphate" ] }, { "compound_id": "C15647", "inchi": null, "name": "2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphate", "names": [ "2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphate" ] }, { "compound_id": "C15648", "inchi": "InChI=1S/C10H8Cl8/c1-4-5(2,3)7(12)8(13,14)6(4,11)9(15,16)10(7,17)18/h1H2,2-3H3", "name": "Octachlorocamphene", "names": [ "Octachlorocamphene" ] }, { "compound_id": "C15649", "inchi": "InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+", "name": "Fexaramine", "names": [ "Fexaramine" ] }, { "compound_id": "C15650", "inchi": "InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)", "name": "2,3-Diketo-5-methylthiopentyl-1-phosphate", "names": [ "2,3-Diketo-5-methylthiopentyl-1-phosphate", "5-(Methylthio)-2,3-dioxopentyl phosphate" ] }, { "compound_id": "C15651", "inchi": "InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4-", "name": "2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate", "names": [ "2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate", "2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate" ] }, { "compound_id": "C15652", "inchi": "InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", "name": "Neomycin C", "names": [ "Neomycin C" ] }, { "compound_id": "C15653", "inchi": null, "name": "Peptide-L-methionine (R)-S-oxide", "names": [ "Peptide-L-methionine (R)-S-oxide" ] }, { "compound_id": "C15654", "inchi": "InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1", "name": "Kni 102", "names": [ "Kni 102" ] }, { "compound_id": "C15655", "inchi": "InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1", "name": "Kynostatin 272", "names": [ "KNI-272", "Kynostatin 272" ] }, { "compound_id": "C15656", "inchi": null, "name": "alpha-N-Acetyl-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosylproteoglycan", "names": [ "alpha-N-Acetyl-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosylproteoglycan" ] }, { "compound_id": "C15657", "inchi": "InChI=1S/C35H46N4O4S/c1-24-10-9-11-25(2)33(24)43-23-32(41)37-29(20-26-12-7-6-8-13-26)31(40)22-39-19-16-28(44-27-14-17-36-18-15-27)21-30(39)34(42)38-35(3,4)5/h6-15,17-18,28-31,40H,16,19-23H2,1-5H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1", "name": "BILA 2185BS", "names": [ "BILA 2185BS" ] }, { "compound_id": "C15658", "inchi": "InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1", "name": "6-(alpha-D-Glucosaminyl)-1D-myo-inositol", "names": [ "6-(alpha-D-Glucosaminyl)-1D-myo-inositol" ] }, { "compound_id": "C15659", "inchi": "InChI=1S/C28H38N2O8S/c1-19(2)16-30(39(33,34)22-11-9-21(35-3)10-12-22)17-25(31)24(15-20-7-5-4-6-8-20)29-28(32)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,31H,13-18H2,1-3H3,(H,29,32)/t23-,24-,25+,26-,27+/m0/s1", "name": "TMC 126", "names": [ "TMC 126", "UIC 94003" ] }, { "compound_id": "C15660", "inchi": "InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40+/m0/s1", "name": "A 77003", "names": [ "A 77003" ] }, { "compound_id": "C15661", "inchi": "InChI=1S/C37H43N5O6/c1-26(2)34(42-37(46)48-25-30-17-9-10-19-39-30)35(44)41-32(21-28-14-7-4-8-15-28)33(43)22-31(20-27-12-5-3-6-13-27)40-36(45)47-24-29-16-11-18-38-23-29/h3-19,23,26,31-34,43H,20-22,24-25H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)/t31-,32-,33-,34-/m0/s1", "name": "A 80987", "names": [ "A 80987" ] }, { "compound_id": "C15662", "inchi": "InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1", "name": "Dmp 323", "names": [ "Dmp 323" ] }, { "compound_id": "C15663", "inchi": "InChI=1S/C7H8N2S.ClH/c8-7(10)5-6-3-1-2-4-9-6;/h1-4H,5H2,(H2,8,10);1H", "name": "CMN 131", "names": [ "CMN 131", "Pyridyl-2-thioacetamide monohydrochloride" ] }, { "compound_id": "C15664", "inchi": "InChI=1S/C16H14F3N3OS/c1-9-13(20-6-5-14(9)23-2)8-24-15-21-11-4-3-10(16(17,18)19)7-12(11)22-15/h3-7H,8H2,1-2H3,(H,21,22)", "name": "B 823-08", "names": [ "B 823-08" ] }, { "compound_id": "C15665", "inchi": "InChI=1S/C22H25N3O3S/c1-12-17(23-8-7-18(12)28-6)11-29(27)20-24-15-9-13-14(10-16(15)25-20)22(4,5)19(26)21(13,2)3/h7-10H,11H2,1-6H3,(H,24,25)", "name": "Ro 18-5364", "names": [ "Ro 18-5364" ] }, { "compound_id": "C15666", "inchi": "InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1", "name": "(7R)-7-(4-Carboxybutanamido)cephalosporanate", "names": [ "(7R)-7-(4-Carboxybutanamido)cephalosporanate", "7-Glutarylaminocephalosporanate" ] }, { "compound_id": "C15667", "inchi": "InChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)/t4-,6-,7-,8-/m1/s1", "name": "5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole", "names": [ "5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole" ] }, { "compound_id": "C15668", "inchi": "InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2", "name": "1-Pyrroline", "names": [ "1-Pyrroline", "3,4-Dihydro-2H-pyrrole" ] }, { "compound_id": "C15669", "inchi": null, "name": "Teicoplanin A3", "names": [ "Teichomycin A3", "Teicoplanin A3" ] }, { "compound_id": "C15670", "inchi": "InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+2/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;", "name": "Heme A", "names": [ "Heme A" ] }, { "compound_id": "C15672", "inchi": "InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;", "name": "Heme O", "names": [ "Heme O" ] }, { "compound_id": "C15673", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)", "name": "2-Dehydro-L-idonate", "names": [ "2-Dehydro-L-idonate", "2-Dehydro-L-idonic acid", "2-Keto-L-gulonate", "2-Keto-L-gulonic acid", "L-Ketoidonate", "L-Ketoidonic acid", "L-Sorbosonate", "L-Sorbosonic acid", "L-xylo-Hex-2-ulosonic acid" ] }, { "compound_id": "C15674", "inchi": "InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1", "name": "Myxothiazol A", "names": [ "Myxothiazol A" ] }, { "compound_id": "C15675", "inchi": "InChI=1S/C26H34N2O4S2/c1-17(2)10-8-9-11-18(3)25-28-21(16-34-25)26-27-20(15-33-26)12-13-22(30-5)19(4)23(31-6)14-24(29)32-7/h8-19,22H,1-7H3/b10-8+,11-9+,13-12+,23-14+/t18-,19+,22-/m0/s1", "name": "Myxothiazol Z", "names": [ "Myxothiazol Z" ] }, { "compound_id": "C15676", "inchi": "InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13?,14-,15+,17-/m0/s1", "name": "HC-toxin", "names": [ "HC-toxin" ] }, { "compound_id": "C15677", "inchi": "InChI=1S/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17-,21+,22-,33?/m1/s1", "name": "Leinamycin", "names": [ "Leinamycin" ] }, { "compound_id": "C15678", "inchi": "InChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17-,18-,19+,20+,21+,22+,23+,24-,27+,28+,29+,30+,31+,32+,33-,34+,35-/m0/s1", "name": "Chalcomycin", "names": [ "Chalcomycin" ] }, { "compound_id": "C15679", "inchi": "InChI=1S/C42H72O16/c1-19-17-41(12,49)37(47)24(6)35(54-28(10)44)23(5)34(21(3)26(8)43)57-39(48)25(7)36(22(4)33(19)58-40-32(46)30(50-14)16-20(2)52-40)56-31-18-42(13,51-15)38(27(9)53-31)55-29(11)45/h19-27,30-36,38,40,43,46,49H,16-18H2,1-15H3/t19-,20+,21-,22+,23-,24+,25+,26-,27-,30-,31-,32+,33-,34+,35-,36-,38+,40-,41-,42+/m0/s1", "name": "Lankamycin", "names": [ "Lankamycin" ] }, { "compound_id": "C15680", "inchi": "InChI=1S/C37H61NO13/c1-11-27-37(43,18-46-36-33(45-10)32(44-9)29(41)23(6)48-36)34-26(49-34)14-13-25(39)20(3)16-21(4)31(19(2)12-15-28(40)50-27)51-35-30(42)24(38(7)8)17-22(5)47-35/h12-15,19-24,26-27,29-36,41-43H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24-,26+,27+,29+,30+,31+,32+,33+,34-,35-,36+,37-/m0/s1", "name": "Mycinamicin II", "names": [ "Mirosamicin", "Mycinamicin II" ] }, { "compound_id": "C15681", "inchi": "InChI=1S/C36H59NO11/c1-10-28-25(19-44-36-34(43-9)32(42)30(40)24(6)46-36)13-11-12-14-27(38)21(3)17-22(4)33(20(2)15-16-29(39)47-28)48-35-31(41)26(37(7)8)18-23(5)45-35/h11-16,20-26,28,30-36,40-42H,10,17-19H2,1-9H3/b13-11+,14-12+,16-15+/t20-,21+,22-,23+,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+/m0/s1", "name": "Mycinamicin III", "names": [ "Mycinamicin III" ] }, { "compound_id": "C15682", "inchi": "InChI=1S/C35H57NO11/c1-9-27-24(18-43-34-32(42)31(41)29(39)23(6)45-34)12-10-11-13-26(37)20(3)16-21(4)33(19(2)14-15-28(38)46-27)47-35-30(40)25(36(7)8)17-22(5)44-35/h10-15,19-25,27,29-35,39-42H,9,16-18H2,1-8H3/b12-10+,13-11+,15-14+/t19-,20+,21-,22+,23+,24+,25-,27+,29+,30+,31+,32+,33+,34+,35-/m0/s1", "name": "Mycinamicin VI", "names": [ "Mycinamicin VI" ] }, { "compound_id": "C15683", "inchi": "InChI=1S/C29H47NO7/c1-8-25-22(17-31)11-9-10-12-24(32)19(3)15-20(4)28(18(2)13-14-26(33)36-25)37-29-27(34)23(30(6)7)16-21(5)35-29/h9-14,18-23,25,27-29,31,34H,8,15-17H2,1-7H3/b11-9+,12-10+,14-13+/t18-,19+,20-,21+,22+,23-,25+,27+,28+,29-/m0/s1", "name": "Mycinamicin VII", "names": [ "Mycinamicin VII" ] }, { "compound_id": "C15684", "inchi": "InChI=1S/C29H47NO6/c1-9-25-18(2)12-10-11-13-24(31)20(4)16-21(5)28(19(3)14-15-26(32)35-25)36-29-27(33)23(30(7)8)17-22(6)34-29/h10-15,18-23,25,27-29,33H,9,16-17H2,1-8H3/b12-10+,13-11+,15-14+/t18-,19-,20+,21-,22+,23-,25+,27+,28+,29-/m0/s1", "name": "Mycinamicin VIII", "names": [ "Mycinamicin VIII" ] }, { "compound_id": "C15685", "inchi": "InChI=1S/C21H32O4/c1-6-19-14(2)9-7-8-10-18(22)16(4)13-17(5)21(24)15(3)11-12-20(23)25-19/h7-12,14-17,19,21,24H,6,13H2,1-5H3/b9-7+,10-8+,12-11+/t14-,15-,16+,17-,19+,21+/m0/s1", "name": "Protomycinolide IV", "names": [ "Protomycinolide IV" ] }, { "compound_id": "C15686", "inchi": "InChI=1S/C64H111N11O20/c1-15-18-19-20-21-22-39-27-48(79)65-40(23-32(4)5)54(84)68-44(28-49(80)81)58(88)75-53(38(14)78)63(93)69-43(26-35(10)11)55(85)66-41(24-33(6)7)56(86)71-46(30-76)59(89)67-42(25-34(8)9)57(87)72-47(31-77)60(90)73-52(37(13)17-3)62(92)74-51(36(12)16-2)61(91)70-45(29-50(82)83)64(94)95-39/h32-47,51-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,89)(H,68,84)(H,69,93)(H,70,91)(H,71,86)(H,72,87)(H,73,90)(H,74,92)(H,75,88)(H,80,81)(H,82,83)/t36-,37-,38-,39?,40+,41+,42-,43+,44+,45-,46+,47+,51-,52-,53+/m0/s1", "name": "Arthrofactin", "names": [ "Arthrofactin" ] }, { "compound_id": "C15687", "inchi": "InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25+,27+/m0/s1", "name": "Borrelidin", "names": [ "Borrelidin" ] }, { "compound_id": "C15688", "inchi": "InChI=1S/C30H48N2O4/c1-21-12-8-7-9-13-23(3)20-32-28(34)15-11-10-14-24(4)27(17-16-22(2)18-21)36-29-19-26(33)30(31-6)25(5)35-29/h7-8,10-12,14-16,23-27,29-31,33H,9,13,17-20H2,1-6H3,(H,32,34)/b8-7+,14-10+,15-11+,21-12+,22-16+/t23-,24-,25+,26-,27-,29-,30+/m0/s1", "name": "Vicenistatin", "names": [ "Vicenistatin" ] }, { "compound_id": "C15689", "inchi": "InChI=1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9+,17-10-/t19-/m1/s1", "name": "Aureothin", "names": [ "Aureothin" ] }, { "compound_id": "C15690", "inchi": "InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1", "name": "Salinomycin", "names": [ "Salinomycin" ] }, { "compound_id": "C15691", "inchi": "InChI=1S/C46H64N8O14/c1-7-24(2)37-46(66)68-26(4)38(52-40(60)31(48-23-55)18-20-35(47)58)43(63)49-32(17-12-27-8-13-29(57)14-9-27)41(61)50-33-19-21-36(59)54(44(33)64)39(25(3)56)45(65)53(5)34(42(62)51-37)22-28-10-15-30(67-6)16-11-28/h8-11,13-16,23-26,31-34,36-39,56-57,59H,7,12,17-22H2,1-6H3,(H2,47,58)(H,48,55)(H,49,63)(H,50,61)(H,51,62)(H,52,60)", "name": "Anabaenopeptilide 90A", "names": [ "Anabaenopeptilide 90A" ] }, { "compound_id": "C15692", "inchi": "InChI=1S/C45H61ClN8O14/c1-6-22(2)36-45(67)68-24(4)37(52-39(61)29(48-21-55)14-17-34(47)59)42(64)49-30(13-9-25-7-11-27(57)12-8-25)40(62)50-31-15-18-35(60)54(43(31)65)38(23(3)56)44(66)53(5)32(41(63)51-36)20-26-10-16-33(58)28(46)19-26/h7-8,10-12,16,19,21-24,29-32,35-38,56-58,60H,6,9,13-15,17-18,20H2,1-5H3,(H2,47,59)(H,48,55)(H,49,64)(H,50,62)(H,51,63)(H,52,61)", "name": "Anabaenopeptilide 90B", "names": [ "Anabaenopeptilide 90B" ] }, { "compound_id": "C15693", "inchi": "InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3/b16-13+/t14-,17-/m0/s1", "name": "Barbamide", "names": [ "Barbamide" ] }, { "compound_id": "C15694", "inchi": "InChI=1S/C26H39NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8-,17-13+/t16-,18+,21-,22-,24-/m0/s1", "name": "Epothilone C", "names": [ "Epothilone C" ] }, { "compound_id": "C15695", "inchi": "InChI=1S/C61H45Cl6N7O15/c1-74-44(56(82)73-49(61(87)88)25-4-7-32(75)8-5-25)12-24-2-9-33(10-3-24)89-45-22-27-13-35(51(45)77)26-6-11-34-31(23-68-42(34)20-26)21-43(69-59(85)50(76)30-18-40(66)54(80)41(67)19-30)55(81)70-47(28-14-36(62)52(78)37(63)15-28)57(83)71-46(27)58(84)72-48(60(74)86)29-16-38(64)53(79)39(65)17-29/h2-11,13-20,22-23,43-44,46-49,68,75,77-80H,12,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t43-,44+,46-,47+,48-,49-/m1/s1", "name": "Complestatin", "names": [ "Complestatin" ] }, { "compound_id": "C15696", "inchi": "InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-10,13,15-16H,1,11H2,2-6H3/b8-7+,17-9+/t13-,15?,16+/m1/s1", "name": "Melithiazol A", "names": [ "Melithiazol A" ] }, { "compound_id": "C15697", "inchi": "InChI=1S/C53H80N10O14/c1-9-12-43(67)61-46(31(8)10-2)50(73)60-38-27-77-53(76)39-13-11-18-62(39)51(74)37(22-32-14-16-33(64)17-15-32)59-48(71)36(23-42(54)66)57-45(69)25-55-47(70)35(20-29(5)6)56-44(68)24-41(65)34(19-28(3)4)58-49(72)40-21-30(7)26-63(40)52(38)75/h14-17,28-31,34-40,46,64H,9-13,18-27H2,1-8H3,(H2,54,66)(H,55,70)(H,56,68)(H,57,69)(H,58,72)(H,59,71)(H,60,73)(H,61,67)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1", "name": "Nostopeptolide A1", "names": [ "Nostopeptolide A1" ] }, { "compound_id": "C15698", "inchi": "InChI=1S/C52H78N10O14/c1-9-11-42(66)60-45(29(6)7)49(72)59-37-26-76-52(75)38-12-10-17-61(38)50(73)36(21-31-13-15-32(63)16-14-31)58-47(70)35(22-41(53)65)56-44(68)24-54-46(69)34(19-28(4)5)55-43(67)23-40(64)33(18-27(2)3)57-48(71)39-20-30(8)25-62(39)51(37)74/h13-16,27-30,33-39,45,63H,9-12,17-26H2,1-8H3,(H2,53,65)(H,54,69)(H,55,67)(H,56,68)(H,57,71)(H,58,70)(H,59,72)(H,60,66)/t30-,33-,34-,35-,36-,37-,38-,39-,45-/m0/s1", "name": "Nostopeptolide A2", "names": [ "Nostopeptolide A2" ] }, { "compound_id": "C15699", "inchi": "InChI=1S/C9H19N3O3/c10-5-1-2-6-12-8(13)4-3-7(11)9(14)15/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1", "name": "gamma-L-Glutamylputrescine", "names": [ "gamma-L-Glutamylputrescine" ] }, { "compound_id": "C15700", "inchi": "InChI=1S/C9H16N2O4/c10-7(9(14)15)3-4-8(13)11-5-1-2-6-12/h6-7H,1-5,10H2,(H,11,13)(H,14,15)/t7-/m0/s1", "name": "gamma-Glutamyl-gamma-aminobutyraldehyde", "names": [ "gamma-Glutamyl-gamma-aminobutyraldehyde" ] }, { "compound_id": "C15701", "inchi": "InChI=1S/C24H39N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10+", "name": "Syringolin A", "names": [ "Syringolin A" ] }, { "compound_id": "C15702", "inchi": "InChI=1S/C43H65N5O10S/c1-10-27(6)38(46-40(53)34-13-11-12-18-47(34)9)42(54)48(24-57-37(51)19-25(2)3)35(26(4)5)22-36(58-29(8)49)41-45-33(23-59-41)39(52)44-31(20-28(7)43(55)56)21-30-14-16-32(50)17-15-30/h14-17,23,25-28,31,34-36,38,50H,10-13,18-22,24H2,1-9H3,(H,44,52)(H,46,53)(H,55,56)/t27-,28-,31+,34+,35+,36+,38-/m0/s1", "name": "Tubulysin A", "names": [ "Tubulysin A" ] }, { "compound_id": "C15703", "inchi": "InChI=1S/C42H63N5O10S/c1-9-13-36(50)56-24-47(41(53)37(26(5)10-2)45-39(52)33-14-11-12-19-46(33)8)34(25(3)4)22-35(57-28(7)48)40-44-32(23-58-40)38(51)43-30(20-27(6)42(54)55)21-29-15-17-31(49)18-16-29/h15-18,23,25-27,30,33-35,37,49H,9-14,19-22,24H2,1-8H3,(H,43,51)(H,45,52)(H,54,55)/t26-,27-,30+,33+,34+,35+,37-/m0/s1", "name": "Tubulysin B", "names": [ "Tubulysin B" ] }, { "compound_id": "C15704", "inchi": "InChI=1S/C43H65N5O9S/c1-10-28(6)38(46-40(52)34-18-14-15-19-47(34)9)42(53)48(25-56-37(50)20-26(2)3)35(27(4)5)23-36(57-30(8)49)41-45-33(24-58-41)39(51)44-32(21-29(7)43(54)55)22-31-16-12-11-13-17-31/h11-13,16-17,24,26-29,32,34-36,38H,10,14-15,18-23,25H2,1-9H3,(H,44,51)(H,46,52)(H,54,55)/t28-,29-,32+,34+,35+,36+,38-/m0/s1", "name": "Tubulysin D", "names": [ "Tubulysin D" ] }, { "compound_id": "C15705", "inchi": "InChI=1S/C42H63N5O9S/c1-9-16-36(49)55-25-47(41(52)37(27(5)10-2)45-39(51)33-19-14-15-20-46(33)8)34(26(3)4)23-35(56-29(7)48)40-44-32(24-57-40)38(50)43-31(21-28(6)42(53)54)22-30-17-12-11-13-18-30/h11-13,17-18,24,26-28,31,33-35,37H,9-10,14-16,19-23,25H2,1-8H3,(H,43,50)(H,45,51)(H,53,54)/t27-,28-,31+,33+,34+,35+,37-/m0/s1", "name": "Tubulysin E", "names": [ "Tubulysin E" ] }, { "compound_id": "C15706", "inchi": "InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-37(44)39(46-8)38(45-7)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37-,38+,39+,40+/m1/s1", "name": "Spinosyn H", "names": [ "Spinosyn H" ] }, { "compound_id": "C15707", "inchi": "InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)37(44)38(45-7)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37-,38+,39-,40+/m1/s1", "name": "Spinosyn J", "names": [ "Spinosyn J" ] }, { "compound_id": "C15708", "inchi": "InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)38(45-7)37(44)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1", "name": "Spinosyn K", "names": [ "Spinosyn K" ] }, { "compound_id": "C15709", "inchi": "InChI=1S/C39H61NO10/c1-8-24-10-9-11-32(50-34-15-14-31(40(5)6)21(3)46-34)20(2)35(42)30-18-28-26(29(30)19-33(41)48-24)13-12-23-16-25(17-27(23)28)49-39-38(45-7)37(44)36(43)22(4)47-39/h12-13,18,20-29,31-32,34,36-39,43-44H,8-11,14-17,19H2,1-7H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29+,31+,32+,34+,36+,37-,38-,39+/m1/s1", "name": "Spinosyn P", "names": [ "Spinosyn P" ] }, { "compound_id": "C15710", "inchi": "InChI=1S/C25H40NO8P/c1-2-20-12-13-24(28)33-22(20)14-15-25(29,16-17-26)23(34-35(30,31)32)18-21(27)11-7-6-10-19-8-4-3-5-9-19/h6-7,10-15,19-23,27,29H,2-5,8-9,16-18,26H2,1H3,(H2,30,31,32)/b10-6-,11-7-,15-14+/t20-,21-,22-,23+,25-/m0/s1", "name": "Phoslactomycin B", "names": [ "Phoslactomycin B" ] }, { "compound_id": "C15711", "inchi": "InChI=1S/C66H73Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,65,71,78-81,83-86H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44?,46+,47+,48?,49+,50-,51+,52+,53-,54+,55?,65-,66-/m0/s1", "name": "Balhimycin", "names": [ "Balhimycin" ] }, { "compound_id": "C15712", "inchi": "InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-13,16H,1-6H3/b8-7+,17-9+/t13-,16+/m1/s1", "name": "Melithiazole E", "names": [ "Cystothiazole A", "Melithiazole E" ] }, { "compound_id": "C15713", "inchi": "InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1", "name": "Nodularin", "names": [ "Nodularin" ] }, { "compound_id": "C15714", "inchi": "InChI=1S/C38H54N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(46)44(7)33-28(6)52-38(51)29(22-23-31(39)45)42-35(48)27(5)40-34(47)26(4)41-36(49)30(24-25(2)3)43-37(33)50/h8-21,25-30,33H,22-24H2,1-7H3,(H2,39,45)(H,40,47)(H,41,49)(H,42,48)(H,43,50)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+/t26-,27-,28+,29-,30-,33-/m0/s1", "name": "Myxochromide S1", "names": [ "Myxochromide S1" ] }, { "compound_id": "C15715", "inchi": "InChI=1S/C39H56N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(47)45(7)34-29(6)53-39(52)30(23-24-32(40)46)43-36(49)28(5)41-35(48)27(4)42-37(50)31(25-26(2)3)44-38(34)51/h9-22,26-31,34H,8,23-25H2,1-7H3,(H2,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/b10-9+,12-11+,14-13+,16-15+,18-17+,20-19+,22-21+/t27-,28-,29+,30-,31-,34-/m0/s1", "name": "Myxochromide S2", "names": [ "Myxochromide S2" ] }, { "compound_id": "C15716", "inchi": "InChI=1S/C40H56N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(48)46(7)35-30(6)54-40(53)31(24-25-33(41)47)44-37(50)29(5)42-36(49)28(4)43-38(51)32(26-27(2)3)45-39(35)52/h8-23,27-32,35H,24-26H2,1-7H3,(H2,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+,23-22+/t28-,29-,30+,31-,32-,35-/m0/s1", "name": "Myxochromide S3", "names": [ "Myxochromide S3" ] }, { "compound_id": "C15717", "inchi": "InChI=1S/C70H108N2O20/c1-46(27-20-16-12-8-5-6-11-15-19-23-35-64(86)72-65-60(83)36-37-61(65)84)66(87)48(3)59(82)33-21-17-13-9-7-10-14-18-22-34-63(92-70-69(90)68(89)67(88)49(4)91-70)47(2)62(85)45-58(81)44-57(80)42-53(76)31-25-30-52(75)41-56(79)43-55(78)40-51(74)29-24-28-50(73)39-54(77)32-26-38-71/h5-11,13-15,17-25,27,29,31,33,35,46-59,63,66-70,73-83,87-90H,12,16,26,28,30,32,34,36-45,71H2,1-4H3,(H,72,86)/b8-5+,9-7+,11-6+,14-10+,17-13+,19-15+,22-18+,27-20+,29-24+,31-25+,33-21+,35-23+/t46?,47?,48?,49-,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,63-,66?,67-,68+,69+,70-/m0/s1", "name": "ECO 02301", "names": [ "ECO 02301" ] }, { "compound_id": "C15718", "inchi": "InChI=1S/C55H83N17O22/c1-27(77)43-53(91)59-15-4-3-8-30(46(84)63-33(11-7-19-71(94)26-76)49(87)68-44(28(2)78)54(92)69-43)62-47(85)32(10-6-18-70(93)25-75)65-50(88)35(23-73)66-48(86)31(9-5-16-60-55(56)57)64-51(89)36(24-74)67-52(90)37-14-17-58-45-34(61-41(81)12-13-42(82)83)20-29-21-39(79)40(80)22-38(29)72(37)45/h20-22,25-28,30-33,35-37,43-44,73-74,77-80,93-94H,3-19,23-24H2,1-2H3,(H,59,91)(H,61,81)(H,62,85)(H,63,84)(H,64,89)(H,65,88)(H,66,86)(H,67,90)(H,68,87)(H,69,92)(H,82,83)(H4,56,57,60)/t27-,28-,30+,31+,32+,33+,35-,36-,37+,43+,44+/m1/s1", "name": "Pyoverdine I", "names": [ "Pyoverdine I" ] }, { "compound_id": "C15719", "inchi": "InChI=1S/C21H39N7O11/c1-13(31)17(25-19(33)15(23)6-3-9-27(38)12-30)20(34)28(39)10-4-7-16(21(35)36)24-18(32)14(22)5-2-8-26(37)11-29/h11-17,31,37-39H,2-10,22-23H2,1H3,(H,24,32)(H,25,33)(H,35,36)/t13-,14-,15-,16+,17-/m1/s1", "name": "Coelichelin", "names": [ "Coelichelin" ] }, { "compound_id": "C15720", "inchi": "InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)", "name": "Lyngbyatoxin", "names": [ "Lyngbyatoxin" ] }, { "compound_id": "C15721", "inchi": "InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27-,28-,35+,36+,37-,38-,39-,40-/m0/s1", "name": "Triostin A", "names": [ "Triostin A" ] }, { "compound_id": "C15722", "inchi": "InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)/t27?,28?,35-,36-,37?,38?,39?,40?,51?/m1/s1", "name": "Quinomycin A", "names": [ "Echinomycin", "Quinomycin A" ] }, { "compound_id": "C15723", "inchi": "InChI=1S/C37H56N8O9/c1-6-22(5)32-36(53)43-28(19-46)37(54)45-18-21(4)14-29(45)35(52)41-24(13-20(2)3)16-39-27(15-23-7-9-25(47)10-8-23)33(50)40-17-31(49)42-26(34(51)44-32)11-12-30(38)48/h7-10,16,20-22,24,26-29,32,46-47H,6,11-15,17-19H2,1-5H3,(H2,38,48)(H,40,50)(H,41,52)(H,42,49)(H,43,53)(H,44,51)/b39-16+/t21-,22-,24-,26+,27-,28-,29-,32-/m0/s1", "name": "Nostocyclopeptide A1", "names": [ "Nostocyclopeptide A1" ] }, { "compound_id": "C15724", "inchi": "InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19+/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1", "name": "Nostocyclopeptide A2", "names": [ "Nostocyclopeptide A2" ] }, { "compound_id": "C15725", "inchi": "InChI=1S/C41H56N8O9/c1-5-25(4)36-40(57)47-32(22-50)41(58)49-21-24(3)16-33(49)39(56)45-28(17-26-8-6-23(2)7-9-26)19-43-31(18-27-10-12-29(51)13-11-27)37(54)44-20-35(53)46-30(38(55)48-36)14-15-34(42)52/h6-13,19,24-25,28,30-33,36,50-51H,5,14-18,20-22H2,1-4H3,(H2,42,52)(H,44,54)(H,45,56)(H,46,53)(H,47,57)(H,48,55)/b43-19+/t24-,25-,28-,30+,31-,32-,33-,36-/m0/s1", "name": "Nostocyclopeptide A3", "names": [ "Nostocyclopeptide A3" ] }, { "compound_id": "C15726", "inchi": "InChI=1S/C13H28N6O8/c14-4(3-20)6(21)1-7(22)8(15)9(23)10(24)12(26)19-5(11(16)25)2-18-13(17)27/h4-10,20-24H,1-3,14-15H2,(H2,16,25)(H,19,26)(H3,17,18,27)/t4-,5+,6+,7+,8+,9+,10-/m1/s1", "name": "Zwittermicin A", "names": [ "Zwittermicin A" ] }, { "compound_id": "C15727", "inchi": "InChI=1S/C48H56N10O12S6/c1-55-31-23-75-76-24-32(46(68)58(4)34(22-72-6)48(70)74-19-29(41(63)49-17-37(55)61)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39)56(2)38(62)18-50-42(64)30(20-73-47(69)33(21-71-5)57(3)45(31)67)54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40/h7-16,29-34,59-60H,17-24H2,1-6H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)", "name": "Thiocoraline", "names": [ "Thiocoraline" ] }, { "compound_id": "C15728", "inchi": "InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19+,24-17+,25-20-,26-18-,31-27+/t32?,33?,34?,35?,36?,37-,39?,40?,41-,42?,44-,45?,46+,47-,49+/m1/s1", "name": "Chivosazole A", "names": [ "Chivosazole A" ] }, { "compound_id": "C15729", "inchi": "InChI=1S/C48H69NO12/c1-30-20-14-10-13-17-25-42(54)61-44(34(5)39(52)27-33(4)50)31(2)21-15-11-12-16-23-38(51)28-40(53)35(6)47-49-37(29-58-47)22-18-19-24-41(32(3)26-30)60-48-46(57-9)45(56-8)43(55)36(7)59-48/h10-26,29,31-36,38-41,43-46,48,50-53,55H,27-28H2,1-9H3/b12-11+,13-10+,20-14-,21-15-,22-18+,23-16+,24-19-,25-17-,30-26+/t31?,32?,33?,34?,35?,36-,38?,39?,40?,41-,43-,44?,45+,46-,48+/m1/s1", "name": "Chivosazole B", "names": [ "Chivosazole B" ] }, { "compound_id": "C15730", "inchi": "InChI=1S/C47H67NO12/c1-29-19-13-9-12-16-24-41(52)60-45(33(5)38(51)26-32(4)49)30(2)20-14-10-11-15-22-37(50)27-40(56-8)34(6)46-48-36(28-57-46)21-17-18-23-39(31(3)25-29)59-47-44(55)43(54)42(53)35(7)58-47/h9-25,28,30-35,37-40,42-45,47,49-51,53-55H,26-27H2,1-8H3/b11-10+,12-9+,19-13-,20-14-,21-17+,22-15+,23-18-,24-16-,29-25+/t30?,31?,32?,33?,34?,35-,37?,38?,39-,40?,42-,43+,44-,45?,47+/m1/s1", "name": "Chivosazole C", "names": [ "Chivosazole C" ] }, { "compound_id": "C15731", "inchi": "InChI=1S/C47H67NO12/c1-29-19-13-9-12-16-24-41(53)60-44(33(5)38(51)26-32(4)49)30(2)20-14-10-11-15-22-37(50)27-39(52)34(6)46-48-36(28-57-46)21-17-18-23-40(31(3)25-29)59-47-43(55)45(56-8)42(54)35(7)58-47/h9-25,28,30-35,37-40,42-45,47,49-52,54-55H,26-27H2,1-8H3/b11-10+,12-9+,19-13-,20-14-,21-17+,22-15+,23-18-,24-16-,29-25+/t30?,31?,32?,33?,34?,35-,37?,38?,39?,40-,42-,43-,44?,45+,47+/m1/s1", "name": "Chivosazole D", "names": [ "Chivosazole D" ] }, { "compound_id": "C15732", "inchi": "InChI=1S/C46H65NO12/c1-28-18-12-8-11-15-23-40(52)59-44(32(5)37(50)25-31(4)48)29(2)19-13-9-10-14-21-36(49)26-38(51)33(6)45-47-35(27-56-45)20-16-17-22-39(30(3)24-28)58-46-43(55)42(54)41(53)34(7)57-46/h8-24,27,29-34,36-39,41-44,46,48-51,53-55H,25-26H2,1-7H3/b10-9+,11-8+,18-12-,19-13-,20-16+,21-14+,22-17-,23-15-,28-24+/t29?,30?,31?,32?,33?,34-,36?,37?,38?,39-,41-,42+,43-,44?,46+/m1/s1", "name": "Chivosazole E", "names": [ "Chivosazole E" ] }, { "compound_id": "C15733", "inchi": "InChI=1S/C41H57NO8/c1-28-18-12-8-11-15-23-39(47)50-40(32(5)37(46)25-31(4)43)29(2)19-13-9-10-14-21-35(44)26-38(48-7)33(6)41-42-34(27-49-41)20-16-17-22-36(45)30(3)24-28/h8-24,27,29-33,35-38,40,43-46H,25-26H2,1-7H3/b10-9+,11-8+,18-12-,19-13-,20-16+,21-14+,22-17-,23-15-,28-24+", "name": "Chivosazole F", "names": [ "Chivosazole F" ] }, { "compound_id": "C15734", "inchi": "InChI=1S/C35H50N8O6S2/c1-10-17(7)25-32-36-20(12-48-32)28(44)39-23(15(3)4)34-37-22(14-50-34)30(46)42-26(18(8)11-2)33-43-27(19(9)49-33)31(47)40-24(16(5)6)35-38-21(13-51-35)29(45)41-25/h13-20,23-27H,10-12H2,1-9H3,(H,39,44)(H,40,47)(H,41,45)(H,42,46)/t17-,18-,19+,20-,23+,24+,25-,26-,27-/m0/s1", "name": "Patellamide A", "names": [ "Patellamide A" ] }, { "compound_id": "C15735", "inchi": "InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18-,19+,20+,21+,23+,26-,27-,28-,29-/m0/s1", "name": "Patellamide C", "names": [ "Patellamide C" ] }, { "compound_id": "C15736", "inchi": "InChI=1S/C38H48N8O6S2/c1-8-19(4)28-36-46-30(22(7)52-36)34(50)41-25(15-23-12-10-9-11-13-23)38-43-26(17-54-38)31(47)40-24(14-18(2)3)35-45-29(21(6)51-35)33(49)39-20(5)37-42-27(16-53-37)32(48)44-28/h9-13,16-22,24-25,28-30H,8,14-15H2,1-7H3,(H,39,49)(H,40,47)(H,41,50)(H,44,48)/t19-,20+,21+,22+,24-,25+,28-,29-,30-/m0/s1", "name": "Patellamide B", "names": [ "Patellamide B" ] }, { "compound_id": "C15737", "inchi": "InChI=1S/C38H48N8O6S2/c1-8-18(3)27-35-45-29(21(6)51-35)33(49)39-20(5)37-41-25(16-53-37)31(47)43-28(19(4)9-2)36-46-30(22(7)52-36)34(50)40-24(15-23-13-11-10-12-14-23)38-42-26(17-54-38)32(48)44-27/h10-14,16-22,24,27-30H,8-9,15H2,1-7H3,(H,39,49)(H,40,50)(H,43,47)(H,44,48)/t18-,19-,20+,21+,22+,24+,27-,28-,29-,30-/m0/s1", "name": "Patellamide D", "names": [ "Patellamide D" ] }, { "compound_id": "C15738", "inchi": "InChI=1S/C36H52N8O6S2/c1-11-17(7)25-33-43-27(19(9)49-33)31(47)39-24(16(5)6)36-38-22(14-52-36)30(46)42-26(18(8)12-2)34-44-28(20(10)50-34)32(48)40-23(15(3)4)35-37-21(13-51-35)29(45)41-25/h13-20,23-28H,11-12H2,1-10H3,(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t17-,18-,19+,20+,23+,24+,25-,26-,27-,28-/m0/s1", "name": "Ascidiacyclamide", "names": [ "Ascidiacyclamide" ] }, { "compound_id": "C15739", "inchi": "InChI=1S/C27H42N6O6/c1-10(2)16-25-31-20(13(7)37-25)23(35)29-18(12(5)6)27-33-21(15(9)39-27)24(36)30-17(11(3)4)26-32-19(14(8)38-26)22(34)28-16/h10-21H,1-9H3,(H,28,34)(H,29,35)(H,30,36)/t13-,14-,15-,16+,17+,18+,19+,20+,21+/m1/s1", "name": "Westiellamide", "names": [ "Westiellamide" ] }, { "compound_id": "C15740", "inchi": "InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1", "name": "Enniatin B", "names": [ "Enniatin B" ] }, { "compound_id": "C15741", "inchi": "InChI=1S/C55H54N16O16S2/c1-13-30-51-69-37(27(10)86-51)48(82)60-23(6)43(77)61-24(7)50-68-36(26(9)85-50)39-29(14-15-31(62-39)44(78)59-22(5)42(76)58-21(4)41(75)57-20(3)40(56)74)54-65-34(17-88-54)46(80)67-35(25(8)73)47(81)64-32(16-19(2)72)52-70-38(28(11)87-52)49(83)71-53(84-12)55-66-33(18-89-55)45(79)63-30/h13-19,25,35,53,72-73H,3-7H2,1-2,8-12H3,(H2,56,74)(H,57,75)(H,58,76)(H,59,78)(H,60,82)(H,61,77)(H,63,79)(H,64,81)(H,67,80)(H,71,83)/b30-13-,32-16-", "name": "Methylsulfomycin I", "names": [ "Methylsulfomycin I" ] }, { "compound_id": "C15742", "inchi": "InChI=1S/C46H72N10O12/c1-8-9-11-18-34(57)50-31(24-36(59)60)40(62)54-38-27(6)68-45(67)37(26(4)5)53-41(63)32(23-28-15-12-10-13-16-28)55(7)44(66)33(22-25(2)3)56-35(58)20-19-30(43(56)65)52-39(61)29(51-42(38)64)17-14-21-49-46(47)48/h10,12-13,15-16,25-27,29-33,35,37-38,58H,8-9,11,14,17-24H2,1-7H3,(H,50,57)(H,51,64)(H,52,61)(H,53,63)(H,54,62)(H,59,60)(H4,47,48,49)", "name": "Cyanopeptolin A", "names": [ "Cyanopeptolin A" ] }, { "compound_id": "C15743", "inchi": "InChI=1S/C40H63N9O14S/c1-7-21(3)30-39(58)63-23(5)31(47-35(54)28(50)20-62-64(59,60)61)36(55)44-25(15-12-18-43-40(41)42)33(52)45-26-16-17-29(51)49(37(26)56)32(22(4)8-2)38(57)48(6)27(34(53)46-30)19-24-13-10-9-11-14-24/h9-11,13-14,21-23,25-32,50-51H,7-8,12,15-20H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)", "name": "Cyanopeptolin S", "names": [ "Cyanopeptolin S" ] }, { "compound_id": "C15744", "inchi": "InChI=1S/C56H75N9O17/c1-7-28(2)44-56(81)82-31(5)46(63-48(73)37(21-23-42(57)71)58-52(77)45(29(3)66)62-51(76)41(70)27-34-15-19-36(69)20-16-34)53(78)60-39(25-33-13-17-35(68)18-14-33)49(74)59-38-22-24-43(72)65(54(38)79)47(30(4)67)55(80)64(6)40(50(75)61-44)26-32-11-9-8-10-12-32/h8-20,28-31,37-41,43-47,66-70,72H,7,21-27H2,1-6H3,(H2,57,71)(H,58,77)(H,59,74)(H,60,78)(H,61,75)(H,62,76)(H,63,73)/t28-,29+,30+,31+,37-,38-,39-,40-,41+,43+,44-,45-,46-,47-/m0/s1", "name": "Aeruginopeptin 95A", "names": [ "Aeruginopeptin 95A" ] }, { "compound_id": "C15745", "inchi": "InChI=1S/C56H79N9O17/c1-7-28(2)44-56(81)82-31(5)46(63-48(73)37(21-23-42(57)71)58-52(77)45(29(3)66)62-51(76)41(70)27-34-15-19-36(69)20-16-34)53(78)60-39(25-33-13-17-35(68)18-14-33)49(74)59-38-22-24-43(72)65(54(38)79)47(30(4)67)55(80)64(6)40(50(75)61-44)26-32-11-9-8-10-12-32/h8-13,15-17,19-20,28-31,33,35,37-41,43-47,66-70,72H,7,14,18,21-27H2,1-6H3,(H2,57,71)(H,58,77)(H,59,74)(H,60,78)(H,61,75)(H,62,76)(H,63,73)", "name": "Aeruginopeptin 95B", "names": [ "Aeruginopeptin 95B" ] }, { "compound_id": "C15746", "inchi": "InChI=1S/C52H68N8O15/c1-6-27(2)42-52(74)75-29(4)43(58-45(67)35(20-22-40(53)65)54-48(70)39(64)26-32-14-18-34(63)19-15-32)49(71)56-37(24-31-12-16-33(62)17-13-31)46(68)55-36-21-23-41(66)60(50(36)72)44(28(3)61)51(73)59(5)38(47(69)57-42)25-30-10-8-7-9-11-30/h7-19,27-29,35-39,41-44,61-64,66H,6,20-26H2,1-5H3,(H2,53,65)(H,54,70)(H,55,68)(H,56,71)(H,57,69)(H,58,67)/t27-,28+,29+,35-,36-,37-,38-,39+,41+,42-,43-,44-/m0/s1", "name": "Aeruginopeptin 228A", "names": [ "Aeruginopeptin 228A" ] }, { "compound_id": "C15747", "inchi": "InChI=1S/C52H72N8O15/c1-6-27(2)42-52(74)75-29(4)43(58-45(67)35(20-22-40(53)65)54-48(70)39(64)26-32-14-18-34(63)19-15-32)49(71)56-37(24-31-12-16-33(62)17-13-31)46(68)55-36-21-23-41(66)60(50(36)72)44(28(3)61)51(73)59(5)38(47(69)57-42)25-30-10-8-7-9-11-30/h7-12,14-16,18-19,27-29,31,33,35-39,41-44,61-64,66H,6,13,17,20-26H2,1-5H3,(H2,53,65)(H,54,70)(H,55,68)(H,56,71)(H,57,69)(H,58,67)", "name": "Aeruginopeptin 228B", "names": [ "Aeruginopeptin 228B" ] }, { "compound_id": "C15748", "inchi": "InChI=1S/C54H72N8O15/c1-7-29(4)45-54(76)77-30(5)46(60-47(69)37(20-22-43(55)67)56-50(72)42(66)27-33-12-18-36(65)19-13-33)51(73)58-39(25-31-8-14-34(63)15-9-31)48(70)57-38-21-23-44(68)62(52(38)74)41(24-28(2)3)53(75)61(6)40(49(71)59-45)26-32-10-16-35(64)17-11-32/h8-19,28-30,37-42,44-46,63-66,68H,7,20-27H2,1-6H3,(H2,55,67)(H,56,72)(H,57,70)(H,58,73)(H,59,71)(H,60,69)/t29-,30+,37-,38-,39-,40-,41-,42+,44+,45-,46-/m0/s1", "name": "Aeruginopeptin 917S-A", "names": [ "Aeruginopeptin 917S-A", "Microcystilide A" ] }, { "compound_id": "C15749", "inchi": "InChI=1S/C54H76N8O15/c1-7-29(4)45-54(76)77-30(5)46(60-47(69)37(20-22-43(55)67)56-50(72)42(66)27-33-12-18-36(65)19-13-33)51(73)58-39(25-31-8-14-34(63)15-9-31)48(70)57-38-21-23-44(68)62(52(38)74)41(24-28(2)3)53(75)61(6)40(49(71)59-45)26-32-10-16-35(64)17-11-32/h8,10-14,16-19,28-31,34,37-42,44-46,63-66,68H,7,9,15,20-27H2,1-6H3,(H2,55,67)(H,56,72)(H,57,70)(H,58,73)(H,59,71)(H,60,69)", "name": "Aeruginopeptin 917S-B", "names": [ "Aeruginopeptin 917S-B" ] }, { "compound_id": "C15750", "inchi": "InChI=1S/C51H74N8O14/c1-9-28(6)42-51(72)73-29(7)43(57-44(65)34(18-20-40(52)63)53-47(68)39(62)25-31-12-16-33(61)17-13-31)48(69)55-36(22-26(2)3)45(66)54-35-19-21-41(64)59(49(35)70)38(23-27(4)5)50(71)58(8)37(46(67)56-42)24-30-10-14-32(60)15-11-30/h10-17,26-29,34-39,41-43,60-62,64H,9,18-25H2,1-8H3,(H2,52,63)(H,53,68)(H,54,66)(H,55,69)(H,56,67)(H,57,65)/t28-,29+,34-,35-,36-,37-,38-,39+,41+,42-,43-/m0/s1", "name": "Aeruginopeptin 917S-C", "names": [ "Aeruginopeptin 917S-C" ] }, { "compound_id": "C15751", "inchi": "InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)", "name": "Spicamycin", "names": [ "Spicamycin" ] }, { "compound_id": "C15752", "inchi": "InChI=1S/C67H107NO18/c1-6-7-25-49-26-18-19-34-59(77)47(4)63(80)45(2)24-16-14-12-10-8-9-11-13-15-17-35-62(79)85-58(33-22-29-50(69)27-20-28-51(70)32-23-38-68)43-56(75)41-54(73)39-52(71)30-21-31-53(72)40-55(74)42-57(76)44-60(78)46(3)61(37-36-49)86-67-66(83)65(82)64(81)48(5)84-67/h6,8-16,19-22,24,27,31,33-34,36,45-48,50-59,61,63-67,69-77,80-83H,1,7,17-18,23,25-26,28-30,32,35,37-44,68H2,2-5H3/b10-8+,11-9+,14-12+,15-13+,24-16+,27-20+,31-21+,33-22+,34-19+,49-36-", "name": "Lienomycin", "names": [ "Lienomycin" ] }, { "compound_id": "C15753", "inchi": "InChI=1S/C18H30O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-9,11,13,15-16,20H,6-7,10,12H2,1-5H3/b11-9+,14-8+/t13-,15+,16-,18+/m0/s1", "name": "Dihydroalbocycline", "names": [ "Dihydroalbocycline" ] }, { "compound_id": "C15754", "inchi": "InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)/t20-,23+,25+,26-,27-,30-/m0/s1", "name": "Septacidin", "names": [ "Septacidin" ] }, { "compound_id": "C15755", "inchi": "InChI=1S/C28H49NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h15-20,22,24-25,27,32,34H,10-14H2,1-9H3", "name": "Dihydropicromycin", "names": [ "Dihydropicromycin" ] }, { "compound_id": "C15756", "inchi": "InChI=1S/C35H61NO8/c1-6-12-33-34(41)36-23-30(38)22-32(40)31(39)20-19-28(24-43-5)16-10-14-27(7-2)15-11-18-29(37)17-9-8-13-25(3)21-26(4)35(42)44-33/h10,14,16,25-27,30-33,38-40H,6-9,11-13,15,17-24H2,1-5H3,(H,36,41)/b14-10+,28-16-", "name": "Antibiotic TA", "names": [ "Antibiotic TA" ] }, { "compound_id": "C15757", "inchi": "InChI=1S/C34H59N3O9/c1-17(2)16-23-32(41)44-27(21(9)10)30(39)36(14)25(19(5)6)34(43)46-28(22(11)12)31(40)37(15)24(18(3)4)33(42)45-26(20(7)8)29(38)35(23)13/h17-28H,16H2,1-15H3/t23-,24-,25-,26+,27+,28+/m0/s1", "name": "Enniatin B4", "names": [ "Enniatin B4", "Enniatin D" ] }, { "compound_id": "C15758", "inchi": "InChI=1S/C25H33NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16,18-21,28-29H,9,13H2,1-5H3,(H,26,31)/b10-8+,11-7+,14-6+,15-12+/t16-,18+,19-,20-,21-,25+/m1/s1", "name": "Lankacidin C", "names": [ "Lankacidin C" ] }, { "compound_id": "C15759", "inchi": "InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3", "name": "Hedamycin", "names": [ "Hedamycin" ] }, { "compound_id": "C15760", "inchi": "InChI=1S/C25H45NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-21,23,27-28H,1,10-13H2,2-9H3,(H,26,29)/t15-,16-,17?,18+,19-,20-,21-,23+,25-/m1/s1", "name": "Pederin", "names": [ "Pederin" ] }, { "compound_id": "C15761", "inchi": "InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42?,43-,46-/m1/s1", "name": "Concanamycin A", "names": [ "Concanamycin A" ] }, { "compound_id": "C15762", "inchi": "InChI=1S/C39H63N5O12/c1-23-21-39(52-7,56-25(3)24(23)2)32(47)34(48)44-35-31-30(53-22-54-35)33(51-6)38(4,5)28(55-31)20-26(45)16-13-11-9-8-10-12-14-18-29(46)43-27(36(49)50)17-15-19-42-37(40)41/h8-10,12,14,18,24-28,30-33,35,45,47H,1,11,13,15-17,19-22H2,2-7H3,(H,43,46)(H,44,48)(H,49,50)(H4,40,41,42)/b9-8+,12-10+,18-14+/t24-,25-,26?,27?,28-,30+,31+,32-,33-,35+,39-/m1/s1", "name": "Onnamide A", "names": [ "Onnamide", "Onnamide A" ] }, { "compound_id": "C15763", "inchi": "InChI=1S/C52H60N10O14S2/c1-25-19-51(25)49(73)75-21-33(57-43(67)39-37(63)17-29-13-9-11-15-31(29)55-39)41(65)53-28(4)46(70)60(6)36-24-78-77-23-35(47(71)61(51)7)59(5)45(69)27(3)54-42(66)34(22-76-50(74)52(20-26(52)2)62(8)48(36)72)58-44(68)40-38(64)18-30-14-10-12-16-32(30)56-40/h9-18,25-28,33-36,63-64H,19-24H2,1-8H3,(H,53,65)(H,54,66)(H,57,67)(H,58,68)", "name": "SW 163C", "names": [ "SW 163C" ] }, { "compound_id": "C15764", "inchi": "InChI=1S/C53H62N10O14S2/c1-25-20-52(25)50(74)76-22-34(59-44(69)39-37(65)19-30-15-11-13-17-32(30)57-39)42(67)55-28(4)46(71)61(6)40-48(73)63(8)53(21-26(53)2)51(75)77-23-33(58-43(68)38-36(64)18-29-14-10-12-16-31(29)56-38)41(66)54-27(3)45(70)60(5)35(47(72)62(52)7)24-79-49(40)78-9/h10-19,25-28,33-35,40,49,64-65H,20-24H2,1-9H3,(H,54,66)(H,55,67)(H,58,68)(H,59,69)", "name": "UK 63598", "names": [ "UK 63598" ] }, { "compound_id": "C15765", "inchi": "InChI=1S/C12H16O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h6-9H,2-5H2,1H3,(H,14,15)/t7-,8+,9+/m1/s1", "name": "Coronafacic acid", "names": [ "Coronafacic acid" ] }, { "compound_id": "C15766", "inchi": "InChI=1S/C48H76O12/c1-11-38(49)36(10)41(52)26-43(54)42(53)23-29(3)22-32(6)45-27-40(51)31(5)16-14-12-13-15-30(4)39(50)25-37-18-17-35(9)48(58,60-37)20-19-28(2)21-33(7)46(56)44(55)24-34(8)47(57)59-45/h12-14,16,19,21,23-24,30-32,35-38,40-43,45-46,49,51-54,56,58H,11,15,17-18,20,22,25-27H2,1-10H3/b13-12+,16-14+,28-19-,29-23+,33-21+,34-24+", "name": "Halstoctacosanolide A", "names": [ "Halstoctacosanolide A" ] }, { "compound_id": "C15767", "inchi": "InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1", "name": "gamma-Glutamyl-gamma-aminobutyrate", "names": [ "4-(Glutamylamino)butanoate", "gamma-Glutamyl-GABA", "gamma-Glutamyl-gamma-aminobutyrate" ] }, { "compound_id": "C15768", "inchi": "InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14?,15?/m1/s1", "name": "(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one", "names": [ "(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one", "DIMBOA glucoside" ] }, { "compound_id": "C15769", "inchi": "InChI=1S/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10)", "name": "HBOA", "names": [ "2-Hydroxy-1,4-benzoxazin-3-one", "HBOA" ] }, { "compound_id": "C15770", "inchi": "InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H", "name": "DIBOA", "names": [ "2,4-Dihydroxy-1,4-benzoxazin-3-one", "2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one", "DIBOA" ] }, { "compound_id": "C15771", "inchi": "InChI=1S/C8H7NO5/c10-4-1-2-5-6(3-4)14-8(12)7(11)9(5)13/h1-3,8,10,12-13H", "name": "TRIBOA", "names": [ "2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one", "TRIBOA" ] }, { "compound_id": "C15772", "inchi": "InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14+/m1/s1", "name": "DIBOA-glucoside", "names": [ "2,4-Dihydroxy-1,4-benzoxazin-3-one glucoside", "DIBOA-glucoside" ] }, { "compound_id": "C15773", "inchi": null, "name": "Bleomycin", "names": [ "Bleomycin" ] }, { "compound_id": "C15774", "inchi": null, "name": "Bleomycin A", "names": [ "Bleomycin A" ] }, { "compound_id": "C15775", "inchi": null, "name": "Bleomycin B", "names": [ "Bleomycin B" ] }, { "compound_id": "C15776", "inchi": "InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1", "name": "4alpha-Methylfecosterol", "names": [ "4alpha-Methylfecosterol" ] }, { "compound_id": "C15777", "inchi": "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,26?,27+,28-/m1/s1", "name": "Episterol", "names": [ "Episterol" ] }, { "compound_id": "C15778", "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26?,27+,28-/m1/s1", "name": "5,7,24(28)-Ergostatrienol", "names": [ "5,7,24(28)-Ergostatrienol" ] }, { "compound_id": "C15780", "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1", "name": "5-Dehydroepisterol", "names": [ "5-Dehydroepisterol" ] }, { "compound_id": "C15781", "inchi": "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23?,24-,25+,26+,27+,28-/m1/s1", "name": "24-Methylenecholesterol", "names": [ "24-Methylenecholesterol" ] }, { "compound_id": "C15782", "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22?,23+,25?,26?,27?,28+,29-/m1/s1", "name": "delta7-Avenasterol", "names": [ "delta7-Avenasterol" ] }, { "compound_id": "C15783", "inchi": "InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25?,26?,27?,28+,29-/m1/s1", "name": "5-Dehydroavenasterol", "names": [ "5-Dehydroavenasterol" ] }, { "compound_id": "C15784", "inchi": "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,22-26,29H,7-16H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1", "name": "Campest-4-en-3beta-ol", "names": [ "(24R)-Ergost-4-en-3beta-ol", "Campest-4-en-3beta-ol" ] }, { "compound_id": "C15785", "inchi": "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,23-26H,7-16H2,1-6H3/t19-,20-,23+,24-,25+,26+,27+,28-/m1/s1", "name": "Campest-4-en-3-one", "names": [ "(24R)-Ergost-4-en-3-one", "Campest-4-en-3-one" ] }, { "compound_id": "C15786", "inchi": "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-21,23-26H,7-17H2,1-6H3/t19-,20-,21+,23+,24-,25?,26+,27+,28-/m1/s1", "name": "5alpha-Campestan-3-one", "names": [ "(24R)-5alpha-Ergostan-3-one", "5alpha-Campestan-3-one" ] }, { "compound_id": "C15787", "inchi": "InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25?,26+,27+,28-/m1/s1", "name": "Campestanol", "names": [ "(24R)-5alpha-Ergostan-3beta-ol", "5alpha-Campestanol", "Campestanol" ] }, { "compound_id": "C15788", "inchi": "InChI=1S/C28H50O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-26,29-30H,7-16H2,1-6H3/t18-,19-,20+,21+,22-,23?,24+,25-,26+,27-,28-/m1/s1", "name": "6alpha-Hydroxycampestanol", "names": [ "6alpha-Hydroxycampestanol" ] }, { "compound_id": "C15789", "inchi": "InChI=1S/C28H48O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-25,29H,7-16H2,1-6H3/t18-,19-,20+,21+,22-,23?,24+,25-,27-,28-/m1/s1", "name": "6-Oxocampestanol", "names": [ "6-Oxocampestanol" ] }, { "compound_id": "C15790", "inchi": "InChI=1S/C28H48O3/c1-16(2)17(3)13-25(30)18(4)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18+,19+,20+,21-,22?,23+,24-,25+,27-,28-/m1/s1", "name": "Cathasterone", "names": [ "Cathasterone" ] }, { "compound_id": "C15791", "inchi": "InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21?,22-,23+,25+,26+,27+,28+/m0/s1", "name": "Teasterone", "names": [ "Teasterone" ] }, { "compound_id": "C15792", "inchi": "InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3/t16-,17-,19-,20+,21?,22-,23+,25+,26+,27+,28+/m0/s1", "name": "3-Dehydroteasterone", "names": [ "3-Dehydroteasterone" ] }, { "compound_id": "C15793", "inchi": "InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21?,22-,23+,25+,26+,27+,28+/m0/s1", "name": "Typhasterol", "names": [ "Typhasterol" ] }, { "compound_id": "C15794", "inchi": "InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19?,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1", "name": "Castasterone", "names": [ "Castasterone" ] }, { "compound_id": "C15795", "inchi": "InChI=1S/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7,17-19,21-26,29-30H,8-16H2,1-6H3/t18-,19+,21+,22+,23-,24?,25+,26+,27+,28-/m1/s1", "name": "22alpha-Hydroxy-campesterol", "names": [ "(22S)-22-Hydroxy-campesterol", "22alpha-Hydroxy-campesterol" ] }, { "compound_id": "C15796", "inchi": "InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22+,23-,24?,25+,26+,27+,28-/m1/s1", "name": "22alpha-Hydroxy-campest-4-en-3-one", "names": [ "(22S,24R)-22-Hydroxy-ergost-4 en-3-one", "22alpha-Hydroxy-campest-4-en-3-one" ] }, { "compound_id": "C15797", "inchi": "InChI=1S/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-20,22-26,30H,7-16H2,1-6H3/t18-,19+,20+,22+,23-,24?,25+,26+,27+,28-/m1/s1", "name": "22alpha-Hydroxy-5alpha-campestan-3-one", "names": [ "(22S,24R)-22-Hydroxy-5alpha-ergostan-3-one", "22alpha-Hydroxy-5alpha-campestan-3-one" ] }, { "compound_id": "C15798", "inchi": "InChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21+,22+,23-,24?,25+,26+,27+,28-/m1/s1", "name": "6-Deoxocathasterone", "names": [ "6-Deoxocathasterone" ] }, { "compound_id": "C15799", "inchi": "InChI=1S/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3/t17-,18-,19-,20-,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1", "name": "6-Deoxoteasterone", "names": [ "6-Deoxoteasterone" ] }, { "compound_id": "C15800", "inchi": "InChI=1S/C28H48O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-19,21-26,30-31H,7-15H2,1-6H3/t17-,18-,19-,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1", "name": "3-Dehydro-6-deoxoteasterone", "names": [ "3-Dehydro-6-deoxoteasterone" ] }, { "compound_id": "C15801", "inchi": "InChI=1S/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3/t17-,18-,19-,20+,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1", "name": "6-Deoxotyphasterol", "names": [ "6-Deoxotyphasterol" ] }, { "compound_id": "C15802", "inchi": "InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21?,22-,23-,24+,25+,26+,27+,28-/m0/s1", "name": "6-Deoxocastasterone", "names": [ "6-Deoxocastasterone" ] }, { "compound_id": "C15803", "inchi": "InChI=1S/C28H50O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-26,29-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19?,20-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1", "name": "6alpha-Hydroxy-castasterone", "names": [ "6alpha-Hydroxy-castasterone" ] }, { "compound_id": "C15804", "inchi": null, "name": "p-Hydroxyphenyl lignin", "names": [ "p-Hydroxyphenyl lignin" ] }, { "compound_id": "C15805", "inchi": null, "name": "Guaiacyl lignin", "names": [ "Guaiacyl lignin" ] }, { "compound_id": "C15806", "inchi": null, "name": "Syringyl lignin", "names": [ "Syringyl lignin" ] }, { "compound_id": "C15807", "inchi": null, "name": "5-Hydroxy-guaiacyl lignin", "names": [ "5-Hydroxy-guaiacyl lignin" ] }, { "compound_id": "C15808", "inchi": "InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21?,22?,24-,25+,27-,28-,29+/m1/s1", "name": "4alpha-Methylzymosterol-4-carboxylate", "names": [ "4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol", "4alpha-Methylzymosterol-4-carboxylate" ] }, { "compound_id": "C15809", "inchi": "InChI=1S/C2H3NO2/c3-1-2(4)5/h1,3H,(H,4,5)", "name": "Iminoglycine", "names": [ "Iminoacetic acid", "Iminoglycine" ] }, { "compound_id": "C15810", "inchi": null, "name": "C15810", "names": [ "C15810", "Thiamine biosynthesis intermediate 1" ] }, { "compound_id": "C15811", "inchi": null, "name": "[Enzyme]-cysteine", "names": [ "Thiamine biosynthesis intermediate 2", "[Enzyme]-cysteine" ] }, { "compound_id": "C15812", "inchi": null, "name": "[Enzyme]-S-sulfanylcysteine", "names": [ "Thiamine biosynthesis intermediate 3", "[Enzyme]-S-sulfanylcysteine" ] }, { "compound_id": "C15813", "inchi": null, "name": "C15813", "names": [ "C15813", "Thiamine biosynthesis intermediate 4" ] }, { "compound_id": "C15814", "inchi": null, "name": "C15814", "names": [ "C15814", "Thiamine biosynthesis intermediate 5" ] }, { "compound_id": "C15815", "inchi": null, "name": "C15815", "names": [ "C15815", "Thiamine biosynthesis intermediate 6" ] }, { "compound_id": "C15816", "inchi": "InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20?,22?,23+,24?,27-,28+/m1/s1", "name": "3-Keto-4-methylzymosterol", "names": [ "3-Keto-4-methylzymosterol" ] }, { "compound_id": "C15817", "inchi": "InChI=1S/C40H48N6O8S2.Fe/c1-17-23(7-9-35(47)48)31-14-32-24(8-10-36(49)50)18(2)28(44-32)12-33-38(22(6)56-16-26(42)40(53)54)20(4)30(46-33)13-34-37(21(5)55-15-25(41)39(51)52)19(3)29(45-34)11-27(17)43-31;/h11-14,21-22,25-26H,7-10,15-16,41-42H2,1-6H3,(H6,43,44,45,46,47,48,49,50,51,52,53,54);/q;+2/p-2/b27-11-,28-12-,29-11-,30-13-,31-14-,32-14-,33-12-,34-13-;/t21?,22?,25-,26-;/m0./s1", "name": "Heme C", "names": [ "Heme C" ] }, { "compound_id": "C15818", "inchi": "InChI=1S/C18H28O4/c1-3-15(19)13-17(21)18(22-2)12-8-7-11-16(20)14-9-5-4-6-10-14/h4-6,9-10,16-18,20-21H,3,7-8,11-13H2,1-2H3/t16-,17+,18+/m1/s1", "name": "Soraphen O", "names": [ "Soraphen O" ] }, { "compound_id": "C15819", "inchi": "InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;/m0./s1", "name": "FK463", "names": [ "FK463", "Micafungin sodium" ] }, { "compound_id": "C15820", "inchi": null, "name": "Teicoplanin", "names": [ "Teicoplanin" ] }, { "compound_id": "C15821", "inchi": "InChI=1S/C39H61NO14/c1-4-14-26-17-11-9-7-6-8-10-12-18-27(53-38-35(46)33(40)34(45)23(3)51-38)20-31-32(36(47)48)30(44)22-39(50,54-31)21-25(42)16-13-15-24(41)19-29(43)28(5-2)37(49)52-26/h6-12,18,23,25-35,38,42-46,50H,4-5,13-17,19-22,40H2,1-3H3,(H,47,48)/b7-6+,10-8+,11-9+,18-12+/t23-,25+,26-,27+,28+,29-,30+,31+,32-,33+,34-,35+,38+,39-/m1/s1", "name": "Rimocidine", "names": [ "Rimocidine" ] }, { "compound_id": "C15822", "inchi": "InChI=1S/C37H57NO14/c1-4-26-27(41)17-23(39)14-12-15-24(40)19-37(48)20-28(42)30(34(45)46)29(52-37)18-25(51-36-33(44)31(38)32(43)22(3)50-36)16-11-9-7-5-6-8-10-13-21(2)49-35(26)47/h5-11,16,21-22,24-33,36,40-44,48H,4,12-15,17-20,38H2,1-3H3,(H,45,46)/b6-5+,9-7+,10-8+,16-11+/t21-,22-,24+,25+,26+,27-,28+,29+,30-,31+,32-,33+,36+,37-/m1/s1", "name": "CE-108", "names": [ "CE-108" ] }, { "compound_id": "C15823", "inchi": "InChI=1S/C27H41NO6/c1-16-10-20-13-21(15-22(29)14-20)28-27(32)17(2)8-7-9-23(33-5)25(30)18(3)12-19(4)26(31)24(11-16)34-6/h8,12-16,19,23-26,29-31H,7,9-11H2,1-6H3,(H,28,32)/b17-8+,18-12+/t16-,19?,23+,24+,25+,26-/m1/s1", "name": "Progeldanamycin", "names": [ "Progeldanamycin" ] }, { "compound_id": "C15824", "inchi": "InChI=1S/C32H51N11O13S/c1-14(33)24(48)39-15(2)25(49)40-16(3)26(50)41-19(7-5-9-37-31(35)36)20(45)10-22(47)56-11-17-12-57-30-32(38-13-44,29(55)43(30)23(17)28(53)54)42-21(46)8-4-6-18(34)27(51)52/h13-16,18-20,30,45H,4-12,33-34H2,1-3H3,(H,38,44)(H,39,48)(H,40,49)(H,41,50)(H,42,46)(H,51,52)(H,53,54)(H4,35,36,37)/t14-,15-,16-,18+,19-,20+,30+,32+/m0/s1", "name": "Cephabacin F3", "names": [ "Cephabacin", "Cephabacin F3" ] }, { "compound_id": "C15825", "inchi": null, "name": "BT1583", "names": [ "BT1583" ] }, { "compound_id": "C15826", "inchi": null, "name": "Jamaicamide", "names": [ "Jamaicamide" ] }, { "compound_id": "C15827", "inchi": null, "name": "Obscurin", "names": [ "Obscurin" ] }, { "compound_id": "C15828", "inchi": null, "name": "Syringopeptin", "names": [ "Syringopeptin" ] }, { "compound_id": "C15829", "inchi": null, "name": "Glycopeptidelipid", "names": [ "Glycopeptidelipid" ] }, { "compound_id": "C15830", "inchi": null, "name": "Gramicidin A", "names": [ "Gramicidin A" ] }, { "compound_id": "C15831", "inchi": null, "name": "A54145", "names": [ "A54145" ] }, { "compound_id": "C15834", "inchi": "InChI=1S/C43H70O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-31,33-34,36-38,45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1", "name": "A28086B", "names": [ "A28086B", "Narasin B" ] }, { "compound_id": "C15835", "inchi": null, "name": "Axenomycin", "names": [ "Axenomycin" ] }, { "compound_id": "C15838", "inchi": null, "name": "TMC-151", "names": [ "TMC-151" ] }, { "compound_id": "C15839", "inchi": null, "name": "Antibiotic K41", "names": [ "Antibiotic K41" ] }, { "compound_id": "C15840", "inchi": null, "name": "Neocarzilin", "names": [ "Neocarzilin" ] }, { "compound_id": "C15841", "inchi": null, "name": "Luzopeptin", "names": [ "Luzopeptin" ] }, { "compound_id": "C15842", "inchi": "InChI=1S/C32H45NO9/c1-19(2)31(42-27-18-25(35)29(38)22(5)41-27)21(4)17-20(3)13-11-9-7-8-10-12-14-24(34)28-30(39)23(15-16-26(36)37)33(6)32(28)40/h7-14,17,19,21-23,25,27,29,31,35,38-39H,15-16,18H2,1-6H3,(H,36,37)/b9-7+,10-8+,13-11+,14-12+,20-17+/t21?,22-,23?,25+,27+,29-,31-/m1/s1", "name": "Lipomycin", "names": [ "Lipomycin", "alpha-Lipomycin" ] }, { "compound_id": "C15844", "inchi": "InChI=1S/C54H88O18/c1-13-37-33(9)71-53(63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42+,45-,46+,47+,48+,49+,50+,51-,52-,53+,54+/m0/s1", "name": "Elaiophylin", "names": [ "Elaiophylin" ] }, { "compound_id": "C15845", "inchi": null, "name": "Arenomycin B", "names": [ "Arenomycin B" ] }, { "compound_id": "C15846", "inchi": "InChI=1S/C27H39NO7/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14+/t17-,19-,22-,26-,27-/m0/s1", "name": "Isomigrastatin", "names": [ "Isomigrastatin" ] }, { "compound_id": "C15847", "inchi": "InChI=1S/C47H82O14/c1-12-37-42(9,52)19-18-38(57-37)43(10)23-29(6)47(55,61-43)44(11)20-17-35(58-44)40(49)46(54)28(5)21-26(3)36(60-46)24-45(53)27(4)14-16-34(59-45)30(7)33(48)22-32-15-13-25(2)39(56-32)31(8)41(50)51/h25-40,48-49,52-55H,12-24H2,1-11H3,(H,50,51)/t25-,26-,27-,28+,29+,30-,31+,32+,33+,34+,35-,36+,37-,38+,39-,40+,42+,43-,44-,45+,46+,47+/m0/s1", "name": "X-206", "names": [ "X-206" ] }, { "compound_id": "C15848", "inchi": "InChI=1/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1/f/h48,51-57,66H,49H2", "name": "Angiotensin III", "names": [ "Angiotensin III" ] }, { "compound_id": "C15849", "inchi": "InChI=1/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1/f/h43-47,55H", "name": "Angiotensin IV", "names": [ "Angiotensin IV" ] }, { "compound_id": "C15850", "inchi": "InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1", "name": "Angiotensin (1-7)", "names": [ "Angiotensin (1-7)" ] }, { "compound_id": "C15851", "inchi": "InChI=1/C56H78N16O13/c1-5-31(4)46(71-50(79)40(22-33-15-17-36(73)18-16-33)67-52(81)45(30(2)3)70-48(77)38(13-9-19-62-56(58)59)65-47(76)37(57)25-44(74)75)53(82)68-41(23-34-26-60-28-63-34)54(83)72-20-10-14-43(72)51(80)66-39(21-32-11-7-6-8-12-32)49(78)69-42(55(84)85)24-35-27-61-29-64-35/h6-8,11-12,15-18,26-31,37-43,45-46,73H,5,9-10,13-14,19-25,57H2,1-4H3,(H,60,63)(H,61,64)(H,65,76)(H,66,80)(H,67,81)(H,68,82)(H,69,78)(H,70,77)(H,71,79)(H,74,75)(H,84,85)(H4,58,59,62)/t31-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1/f/h58,61-63,65-71,74,84H,59H2", "name": "Angiotensin (1-9)", "names": [ "Angiotensin (1-9)" ] }, { "compound_id": "C15852", "inchi": "InChI=1/C30H48N8O9/c1-5-16(4)24(29(46)47)38-27(44)21(13-17-8-10-18(39)11-9-17)36-28(45)23(15(2)3)37-26(43)20(7-6-12-34-30(32)33)35-25(42)19(31)14-22(40)41/h8-11,15-16,19-21,23-24,39H,5-7,12-14,31H2,1-4H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)(H,46,47)(H4,32,33,34)/t16-,19-,20-,21-,23-,24-/m0/s1/f/h32,34-38,40,46H,33H2", "name": "Angiotensin (1-5)", "names": [ "Angiotensin (1-5)" ] }, { "compound_id": "C15853", "inchi": "InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+", "name": "Dehydrospermidine", "names": [ "Dehydrospermidine" ] }, { "compound_id": "C15854", "inchi": null, "name": "N-(4-Aminobutylidene)-[eIF5A-precursor]-lysine", "names": [ "N-(4-Aminobutylidene)-[eIF5A-precursor]-lysine", "N-(4-Aminobutylidene)-[enzyme]-lysine" ] }, { "compound_id": "C15855", "inchi": null, "name": "Apelin-13", "names": [ "Apelin-13" ] }, { "compound_id": "C15856", "inchi": null, "name": "Apelin-36", "names": [ "Apelin-36" ] }, { "compound_id": "C15857", "inchi": "InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-", "name": "9,9'-dicis-zeta-Carotene", "names": [ "9,9'-Di-cis-zeta-carotene", "9,9'-dicis-zeta-Carotene" ] }, { "compound_id": "C15858", "inchi": "InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17-,32-18-,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-", "name": "7,9,7',9'-tetracis-Lycopene", "names": [ "7,9,7',9'-Tetra-cis-lycopene", "7,9,7',9'-tetracis-Lycopene" ] }, { "compound_id": "C15859", "inchi": "InChI=1S/C40H58O/c1-32(20-13-22-34(3)23-14-24-35(4)26-16-31-40(9,10)41)18-11-12-19-33(2)21-15-25-36(5)28-29-38-37(6)27-17-30-39(38,7)8/h11-15,18-25,28-29,41H,16-17,26-27,30-31H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,29-28+,32-18+,33-19+,34-22+,35-24+,36-25+", "name": "1'-Hydroxy-gamma-carotene", "names": [ "1'-Hydroxy-gamma-carotene" ] }, { "compound_id": "C15860", "inchi": "InChI=1S/C40H56O/c1-32(20-13-22-34(3)23-14-24-35(4)26-16-31-40(9,10)41)18-11-12-19-33(2)21-15-25-36(5)28-29-38-37(6)27-17-30-39(38,7)8/h11-16,18-26,28-29,41H,17,27,30-31H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,26-16+,29-28+,32-18+,33-19+,34-22+,35-24+,36-25+", "name": "1'-Hydroxytorulene", "names": [ "1'-Hydroxytorulene", "Myxocoxanthin" ] }, { "compound_id": "C15861", "inchi": "InChI=1S/C46H68O6/c1-33(18-11-12-19-34(2)21-15-25-37(5)28-29-39-38(6)27-17-30-45(39,7)8)20-13-22-35(3)23-14-24-36(4)26-16-31-46(9,10)52-44-43(50)42(49)41(48)40(32-47)51-44/h11-15,18-25,28-29,40-44,47-50H,16-17,26-27,30-32H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,29-28+,33-18+,34-19+,35-22+,36-24+,37-25+/t40-,41-,42+,43-,44+/m1/s1", "name": "1'-Hydroxy-gamma-carotene glucoside", "names": [ "1'-Hydroxy-gamma-carotene glucoside" ] }, { "compound_id": "C15862", "inchi": null, "name": "Buccalin", "names": [ "Buccalin" ] }, { "compound_id": "C15863", "inchi": null, "name": "Cerebellin", "names": [ "Cerebellin" ] }, { "compound_id": "C15864", "inchi": null, "name": "1'-Hydroxy-gamma-carotene glucoside ester", "names": [ "1'-Hydroxy-gamma-carotene glucoside ester" ] }, { "compound_id": "C15865", "inchi": null, "name": "Neuromedin B", "names": [ "NMB", "Neuromedin B" ] }, { "compound_id": "C15866", "inchi": null, "name": "Neuromedin C", "names": [ "Neuromedin C" ] }, { "compound_id": "C15867", "inchi": "InChI=1S/C40H54/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-13,15-23,25-32H,14,24H2,1-10H3/b12-11+,23-13+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", "name": "3,4-Dehydrolycopene", "names": [ "3,4-Dehydrolycopene", "all-trans-3,4-Didehydrolycopene" ] }, { "compound_id": "C15868", "inchi": null, "name": "Neuromedin N", "names": [ "Neuromedin N" ] }, { "compound_id": "C15869", "inchi": null, "name": "Neuromedin U", "names": [ "NMU", "Neuromedin U" ] }, { "compound_id": "C15870", "inchi": "InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", "name": "Rhodopin", "names": [ "1-Hydroxylycopene", "Rhodopin" ] }, { "compound_id": "C15871", "inchi": null, "name": "Nocistatin", "names": [ "Nocistatin" ] }, { "compound_id": "C15872", "inchi": null, "name": "Kinetensin", "names": [ "Kinetensin" ] }, { "compound_id": "C15873", "inchi": null, "name": "Kassinin", "names": [ "Kassinin" ] }, { "compound_id": "C15874", "inchi": "InChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-21,23-31,41H,13,22,32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", "name": "3,4-Dehydrorhodopin", "names": [ "3,4-Dehydrorhodopin", "3,4-Didehydrorhodopin" ] }, { "compound_id": "C15875", "inchi": null, "name": "Kemptide", "names": [ "Kemptide" ] }, { "compound_id": "C15876", "inchi": null, "name": "Katacalcin", "names": [ "Katacalcin" ] }, { "compound_id": "C15877", "inchi": "InChI=1S/C41H58O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-22,24-32H,14,23,33H2,1-11H3/b13-12+,24-15+,25-16+,29-17+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+", "name": "Anhydrorhodovibrin", "names": [ "Anhydrorhodovibrin" ] }, { "compound_id": "C15878", "inchi": "InChI=1S/C41H60O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-17,19-29,31,42H,18,30,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+", "name": "Rhodovibrin", "names": [ "Rhodovibrin" ] }, { "compound_id": "C15879", "inchi": "InChI=1S/C41H58O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-31,42H,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,30-18+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+", "name": "Hydroxyspirilloxanthin", "names": [ "Hydroxyspirilloxanthin", "Monodemethyl spirilloxanthin" ] }, { "compound_id": "C15880", "inchi": null, "name": "Allatostatin I", "names": [ "Allatostatin I" ] }, { "compound_id": "C15881", "inchi": "InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+", "name": "Spirilloxanthin", "names": [ "Spirilloxanthin" ] }, { "compound_id": "C15882", "inchi": "InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h16,18-22,28-29H,7-15,17H2,1-6H3/b23-16+", "name": "2-Methyl-6-phytylquinol", "names": [ "2-Methyl-6-phytyl-1,4-hydroquinone", "2-Methyl-6-phytylquinol" ] }, { "compound_id": "C15883", "inchi": "InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h17,19-22,29-30H,8-16,18H2,1-7H3/b23-17+", "name": "2,3-Dimethyl-5-phytylquinol", "names": [ "2,3-Dimethyl-5-phytyl-1,4-hydroquinone", "2,3-Dimethyl-5-phytylquinol" ] }, { "compound_id": "C15884", "inchi": "InChI=1S/C42H58O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-32H,33H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+", "name": "2-Ketospirilloxanthin", "names": [ "2-Ketospirilloxanthin" ] }, { "compound_id": "C15885", "inchi": "InChI=1S/C42H56O4/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-39(43)41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-40(44)42(9,10)46-12/h13-32H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+", "name": "2,2'-Diketospirilloxanthin", "names": [ "2,2'-Diketospirilloxanthin" ] }, { "compound_id": "C15886", "inchi": "InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-18,20-22,24-31H,14,19,23,32-33H2,1-11H3/b13-12+,24-15+,25-16+,29-17+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+", "name": "3,4-Dihydroanhydrorhodovibrin", "names": [ "3,4-Dihydroanhydrorhodovibrin" ] }, { "compound_id": "C15887", "inchi": "InChI=1S/C41H62O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-17,20-29,42H,18-19,30-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+", "name": "3',4'-Dihydrorhodovibrin", "names": [ "3',4'-Dihydrorhodovibrin" ] }, { "compound_id": "C15888", "inchi": "InChI=1S/C42H64O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-18,21-30H,19-20,31-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+", "name": "3,4,3',4'-Tetrahydrospirilloxanthin", "names": [ "3,4,3',4'-Tetrahydrospirilloxanthin" ] }, { "compound_id": "C15889", "inchi": null, "name": "Dermaseptin", "names": [ "Dermaseptin" ] }, { "compound_id": "C15890", "inchi": null, "name": "Endomorphin-1", "names": [ "Endomorphin-1" ] }, { "compound_id": "C15891", "inchi": null, "name": "Endomorphin-2", "names": [ "Endomorphin-2" ] }, { "compound_id": "C15892", "inchi": "InChI=1S/C40H60O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17,19-21,23-27,29-30,41H,13,16,18,22,28,31-32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", "name": "Chloroxanthin", "names": [ "Chloroxanthin", "Hydroxyneurosporene" ] }, { "compound_id": "C15893", "inchi": null, "name": "Exendin-3", "names": [ "Exendin-3" ] }, { "compound_id": "C15894", "inchi": null, "name": "Exendin-4", "names": [ "Exendin-4" ] }, { "compound_id": "C15895", "inchi": "InChI=1S/C41H62O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18,20-22,24-28,30-31H,14,17,19,23,29,32-33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+", "name": "3,4-Dihydrospheroidene", "names": [ "3,4-Dihydrospheroidene", "Methoxyneurosporene" ] }, { "compound_id": "C15897", "inchi": null, "name": "Fibrinogen binding inhibitor peptide", "names": [ "Fibrinogen binding inhibitor peptide" ] }, { "compound_id": "C15898", "inchi": "InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17-21,23-27,29-31,41H,13,16,22,28,32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", "name": "Demethylspheroidene", "names": [ "Demethylspheroidene" ] }, { "compound_id": "C15899", "inchi": null, "name": "Fibrinogen binding peptide", "names": [ "Fibrinogen binding peptide" ] }, { "compound_id": "C15900", "inchi": "InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+", "name": "Spheroidene", "names": [ "Spheroidene" ] }, { "compound_id": "C15901", "inchi": null, "name": "Galanin", "names": [ "Galanin" ] }, { "compound_id": "C15902", "inchi": "InChI=1S/C41H62O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-15,17,19-25,27-29,31,42H,16,18,26,30,32-33H2,1-11H3/b13-12+,22-14+,23-15+,27-17+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+", "name": "Hydroxyspheroidene", "names": [ "Hydroxyspheroidene" ] }, { "compound_id": "C15903", "inchi": "InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", "name": "Spheroidenone", "names": [ "Spheroidenone" ] }, { "compound_id": "C15904", "inchi": null, "name": "Galantide", "names": [ "Galantide" ] }, { "compound_id": "C15905", "inchi": "InChI=1S/C41H60O3/c1-33(21-14-23-35(3)25-16-27-37(5)29-18-32-40(7,8)43)19-12-13-20-34(2)22-15-24-36(4)26-17-28-38(6)30-31-39(42)41(9,10)44-11/h12-15,17,19-24,26-28,30-31,43H,16,18,25,29,32H2,1-11H3/b13-12+,21-14+,22-15+,26-17+,31-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+", "name": "Hydroxyspheroidenone", "names": [ "Hydroxyspheroidenone" ] }, { "compound_id": "C15906", "inchi": null, "name": "Glucose-dependent insulinotropic peptide", "names": [ "GIP", "Gastric inhibitory peptide", "Glucose-dependent insulinotropic peptide" ] }, { "compound_id": "C15907", "inchi": "InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,19-20,22-27,29-30,32H,13,17-18,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+", "name": "1',2'-Dihydro-gamma-carotene", "names": [ "1',2'-Dihydro-gamma-carotene" ] }, { "compound_id": "C15908", "inchi": "InChI=1S/C40H52/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-19,21-30H,13,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+", "name": "Chlorobactene", "names": [ "Chlorobactene" ] }, { "compound_id": "C15910", "inchi": "InChI=1S/C40H54/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-16,18-19,21-31H,13,17,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+", "name": "1',2'-Dihydrochlorobactene", "names": [ "1',2'-Dihydrochlorobactene" ] }, { "compound_id": "C15911", "inchi": "InChI=1S/C40H54O/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-30-40(9,10)41)17-11-12-18-32(2)20-15-24-35(5)26-29-39-37(7)28-27-36(6)38(39)8/h11-15,17-24,26-29,41H,16,25,30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,29-26+,31-17+,32-18+,33-21+,34-23+,35-24+", "name": "Hydroxychlorobactene", "names": [ "Hydroxychlorobactene" ] }, { "compound_id": "C15912", "inchi": null, "name": "Granuliberin R", "names": [ "Granuliberin R" ] }, { "compound_id": "C15913", "inchi": null, "name": "HA Peptide", "names": [ "HA Peptide" ] }, { "compound_id": "C15914", "inchi": "InChI=1S/C46H64O6/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-29-40-38(7)28-27-37(6)39(40)8)19-13-21-34(3)22-14-23-35(4)25-16-30-46(9,10)52-45-44(50)43(49)42(48)41(31-47)51-45/h11-15,17-24,26-29,41-45,47-50H,16,25,30-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,29-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t41-,42-,43+,44-,45+/m1/s1", "name": "Hydroxychlorobactene glucoside", "names": [ "Hydroxychlorobactene glucoside" ] }, { "compound_id": "C15915", "inchi": "InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-20,22-23,25-26,30H,8-18H2,1-7H3/t20-,22-,23?,25+,26+,28-,29-/m1/s1", "name": "4,4-Dimethyl-5alpha-cholesta-8-en-3beta-ol", "names": [ "4,4-Dimethyl-5alpha-cholesta-8-en-3beta-ol" ] }, { "compound_id": "C15916", "inchi": null, "name": "Helospectin I", "names": [ "Helospectin I" ] }, { "compound_id": "C15917", "inchi": null, "name": "Hydroxychlorobactene glucoside ester", "names": [ "Hydroxychlorobactene glucoside ester" ] }, { "compound_id": "C15918", "inchi": null, "name": "Helospectin II", "names": [ "Helospectin II" ] }, { "compound_id": "C15919", "inchi": "InChI=1S/C40H56O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-27-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-26-37-35(6)28-36(41)29-39(37,7)8/h11-27,36,38,41-43H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,30-16+,31-17+,32-20+,33-22+,34-23+/t36-,38+/m1/s1", "name": "Myxol", "names": [ "Myxol" ] }, { "compound_id": "C15920", "inchi": null, "name": "Heparin binding peptide", "names": [ "Heparin binding peptide" ] }, { "compound_id": "C15921", "inchi": null, "name": "Histatin 5", "names": [ "Histatin 5" ] }, { "compound_id": "C15922", "inchi": null, "name": "Indolicidin", "names": [ "Indolicidin" ] }, { "compound_id": "C15923", "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6?/m0/s1", "name": "L-Gulose", "names": [ "L-Gulose" ] }, { "compound_id": "C15924", "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4-,5-,6?/m0/s1", "name": "L-Gulose 1-phosphate", "names": [ "L-Gulose 1-phosphate" ] }, { "compound_id": "C15925", "inchi": "InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,7+,8+,9-,10+,11-,14?,15+/m0/s1", "name": "GDP-L-gulose", "names": [ "GDP-L-gulose" ] }, { "compound_id": "C15926", "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6+/m0/s1", "name": "L-Galactose 1-phosphate", "names": [ "L-Galactose 1-phosphate" ] }, { "compound_id": "C15927", "inchi": "InChI=1S/C41H53N11O12/c1-21(47-40(63)31-12-7-13-52(31)41(64)25(42)16-34(56)57)35(58)48-27(14-22-8-3-2-4-9-22)37(60)50-29(17-32(43)54)38(61)51-30(20-53)39(62)49-28(36(59)46-19-33(44)55)15-23-18-45-26-11-6-5-10-24(23)26/h2-6,8-11,18,21,25,27-31,45,53H,7,12-17,19-20,42H2,1H3,(H2,43,54)(H2,44,55)(H,46,59)(H,47,63)(H,48,58)(H,49,62)(H,50,60)(H,51,61)(H,56,57)/t21-,25-,27-,28-,29-,30-,31-/m0/s1", "name": "Leucokinin I", "names": [ "Leucokinin I" ] }, { "compound_id": "C15928", "inchi": "InChI=1S/C40H54O4/c1-29(18-13-20-31(3)21-15-23-33(5)25-27-37(42)40(9,10)44)16-11-12-17-30(2)19-14-22-32(4)24-26-35-34(6)38(43)36(41)28-39(35,7)8/h11-27,36-37,41-42,44H,28H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,29-16+,30-17+,31-20+,32-22+,33-23+/t36-,37-/m0/s1", "name": "4-Ketomyxol", "names": [ "4-Ketomyxol" ] }, { "compound_id": "C15929", "inchi": null, "name": "Leucokinin VIII", "names": [ "Leucokinin VIII" ] }, { "compound_id": "C15930", "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)", "name": "L-Galactonate", "names": [ "L-Galactonate", "L-Galactonic acid" ] }, { "compound_id": "C15931", "inchi": null, "name": "Magainin 1", "names": [ "Magainin 1" ] }, { "compound_id": "C15932", "inchi": "InChI=1S/C40H56O4/c1-29(18-13-20-31(3)21-15-23-33(5)25-27-37(42)40(9,10)44)16-11-12-17-30(2)19-14-22-32(4)24-26-35-34(6)38(43)36(41)28-39(35,7)8/h11-27,36-38,41-44H,28H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,29-16+,30-17+,31-20+,32-22+,33-23+/t36-,37-,38?/m0/s1", "name": "4-Hydroxymyxol", "names": [ "4-Hydroxymyxol" ] }, { "compound_id": "C15933", "inchi": "InChI=1S/C40H56O2/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38(41)40(9,10)42)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26-29,38,41-42H,16,25,30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,29-27+,31-17+,32-18+,33-21+,34-23+,35-24+/t38-/m0/s1", "name": "Deoxymyxol", "names": [ "Deoxymyxol" ] }, { "compound_id": "C15935", "inchi": "InChI=1S/C48H70O6/c1-34(20-14-15-21-35(2)23-17-26-37(4)29-31-41-39(6)28-19-33-47(41,8)9)22-16-24-36(3)25-18-27-38(5)30-32-42(48(10,11)50)54-46-45(52-13)43(49)44(51-12)40(7)53-46/h14-18,20-27,29-32,40,42-46,49-50H,19,28,33H2,1-13H3/b15-14+,22-16+,23-17+,25-18+,31-29+,32-30+,34-20+,35-21+,36-24+,37-26+,38-27+/t40-,42?,43+,44+,45-,46?/m0/s1", "name": "(2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)", "names": [ "(2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)" ] }, { "compound_id": "C15936", "inchi": null, "name": "Magainin 2", "names": [ "Magainin 2" ] }, { "compound_id": "C15937", "inchi": "InChI=1S/C48H70O7/c1-33(19-14-15-20-34(2)22-17-25-36(4)27-29-41-38(6)31-40(49)32-47(41,8)9)21-16-23-35(3)24-18-26-37(5)28-30-42(48(10,11)51)55-46-45(53-13)43(50)44(52-12)39(7)54-46/h14-30,39-40,42-46,49-51H,31-32H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,29-27+,30-28+,33-19+,34-20+,35-23+,36-25+,37-26+/t39-,40+,42?,43+,44+,45-,46?/m0/s1", "name": "(3R,2'S)-Myxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)", "names": [ "(3R,2'S)-Myxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)" ] }, { "compound_id": "C15938", "inchi": null, "name": "MAGE-3 (271 - 279)", "names": [ "MAGE-3 (271 - 279)" ] }, { "compound_id": "C15940", "inchi": "InChI=1S/C46H66O6/c1-32(18-12-13-19-33(2)21-15-24-35(4)27-29-39-37(6)26-17-31-45(39,8)9)20-14-22-34(3)23-16-25-36(5)28-30-40(46(10,11)50)52-44-43(49)42(48)41(47)38(7)51-44/h12-16,18-25,27-30,38,40-44,47-50H,17,26,31H2,1-11H3/b13-12+,20-14+,21-15+,23-16+,29-27+,30-28+,32-18+,33-19+,34-22+,35-24+,36-25+/t38-,40?,41+,42+,43-,44?/m0/s1", "name": "(2'S)-Deoxymyxol 2'-alpha-L-fucoside", "names": [ "(2'S)-Deoxymyxol 2'-alpha-L-fucoside" ] }, { "compound_id": "C15941", "inchi": "InChI=1S/C46H66O7/c1-31(17-12-13-18-32(2)20-15-23-34(4)25-27-39-36(6)29-38(47)30-45(39,8)9)19-14-21-33(3)22-16-24-35(5)26-28-40(46(10,11)51)53-44-43(50)42(49)41(48)37(7)52-44/h12-28,37-38,40-44,47-51H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t37-,38+,40?,41+,42+,43-,44?/m0/s1", "name": "(3R,2'S)-Myxol 2'-alpha-L-fucoside", "names": [ "(3R,2'S)-Myxol 2'-alpha-L-fucoside" ] }, { "compound_id": "C15942", "inchi": "InChI=1S/C46H64O8/c1-30(17-12-13-18-31(2)20-15-23-33(4)25-27-37-35(6)40(48)38(47)29-45(37,8)9)19-14-21-32(3)22-16-24-34(5)26-28-39(46(10,11)52)54-44-43(51)42(50)41(49)36(7)53-44/h12-28,36,38-39,41-44,47,49-52H,29H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,30-17+,31-18+,32-21+,33-23+,34-24+/t36-,38-,39?,41+,42+,43-,44?/m0/s1", "name": "(3S,2'S)-4-Ketomyxol 2'-alpha-L-fucoside", "names": [ "(3S,2'S)-4-Ketomyxol 2'-alpha-L-fucoside" ] }, { "compound_id": "C15943", "inchi": "InChI=1S/C40H48/c1-29(17-13-19-31(3)21-27-39-35(7)25-23-33(5)37(39)9)15-11-12-16-30(2)18-14-20-32(4)22-28-40-36(8)26-24-34(6)38(40)10/h11-28H,1-10H3/b12-11+,17-13+,18-14+,27-21+,28-22+,29-15+,30-16+,31-19+,32-20+", "name": "Isorenieratene", "names": [ "Isorenieratene" ] }, { "compound_id": "C15944", "inchi": null, "name": "Mas7", "names": [ "Mas7" ] }, { "compound_id": "C15945", "inchi": null, "name": "Mas8", "names": [ "Mas8" ] }, { "compound_id": "C15946", "inchi": null, "name": "Mas17", "names": [ "Mas17" ] }, { "compound_id": "C15947", "inchi": null, "name": "Mastoparan", "names": [ "Mastoparan" ] }, { "compound_id": "C15948", "inchi": null, "name": "Myomodulin", "names": [ "Myomodulin" ] }, { "compound_id": "C15949", "inchi": null, "name": "Neuropeptide Y", "names": [ "Neuropeptide Y" ] }, { "compound_id": "C15952", "inchi": "InChI=1S/C57H86O7/c1-40(2)23-16-14-13-15-17-31-51(58)62-39-50-52(59)53(60)54(61)55(64-50)63-47-37-46(8)49(57(11,12)38-47)35-33-44(6)29-21-27-42(4)25-19-18-24-41(3)26-20-28-43(5)32-34-48-45(7)30-22-36-56(48,9)10/h18-21,24-29,32-35,40,47,50,52-55,59-61H,13-17,22-23,30-31,36-39H2,1-12H3/b19-18+,26-20+,27-21+,34-32+,35-33+,41-24+,42-25+,43-28+,44-29+/t47-,50-,52-,53+,54-,55-/m1/s1", "name": "Thermocryptoxanthin-11", "names": [ "Thermocryptoxanthin-11" ] }, { "compound_id": "C15954", "inchi": "InChI=1S/C59H90O7/c1-42(2)25-18-16-14-13-15-17-19-33-53(60)64-41-52-54(61)55(62)56(63)57(66-52)65-49-39-48(8)51(59(11,12)40-49)37-35-46(6)31-23-29-44(4)27-21-20-26-43(3)28-22-30-45(5)34-36-50-47(7)32-24-38-58(50,9)10/h20-23,26-31,34-37,42,49,52,54-57,61-63H,13-19,24-25,32-33,38-41H2,1-12H3/b21-20+,28-22+,29-23+,36-34+,37-35+,43-26+,44-27+,45-30+,46-31+/t49-,52-,54-,55+,56-,57-/m1/s1", "name": "Thermocryptoxanthin-13", "names": [ "Thermocryptoxanthin-13" ] }, { "compound_id": "C15955", "inchi": "InChI=1S/C61H94O7/c1-44(2)27-20-18-16-14-13-15-17-19-21-35-55(62)66-43-54-56(63)57(64)58(65)59(68-54)67-51-41-50(8)53(61(11,12)42-51)39-37-48(6)33-25-31-46(4)29-23-22-28-45(3)30-24-32-47(5)36-38-52-49(7)34-26-40-60(52,9)10/h22-25,28-33,36-39,44,51,54,56-59,63-65H,13-21,26-27,34-35,40-43H2,1-12H3/b23-22+,30-24+,31-25+,38-36+,39-37+,45-28+,46-29+,47-32+,48-33+/t51-,54-,56-,57+,58-,59-/m1/s1", "name": "Thermocryptoxanthin-15", "names": [ "Thermocryptoxanthin-15" ] }, { "compound_id": "C15956", "inchi": "InChI=1S/C59H90O8/c1-41(2)24-18-16-14-13-15-17-19-31-53(61)65-40-52-54(62)55(63)56(64)57(67-52)66-49-37-47(8)51(59(11,12)39-49)35-33-45(6)30-23-28-43(4)26-21-20-25-42(3)27-22-29-44(5)32-34-50-46(7)36-48(60)38-58(50,9)10/h20-23,25-30,32-35,41,48-49,52,54-57,60,62-64H,13-19,24,31,36-40H2,1-12H3/b21-20+,27-22+,28-23+,34-32+,35-33+,42-25+,43-26+,44-29+,45-30+/t48-,49-,52-,54-,55+,56-,57-/m1/s1", "name": "Thermozeaxanthin-13", "names": [ "Thermozeaxanthin-13" ] }, { "compound_id": "C15957", "inchi": "InChI=1S/C61H94O8/c1-43(2)26-20-18-16-14-13-15-17-19-21-33-55(63)67-42-54-56(64)57(65)58(66)59(69-54)68-51-39-49(8)53(61(11,12)41-51)37-35-47(6)32-25-30-45(4)28-23-22-27-44(3)29-24-31-46(5)34-36-52-48(7)38-50(62)40-60(52,9)10/h22-25,27-32,34-37,43,50-51,54,56-59,62,64-66H,13-21,26,33,38-42H2,1-12H3/b23-22+,29-24+,30-25+,36-34+,37-35+,44-27+,45-28+,46-31+,47-32+/t50-,51-,54-,56-,57+,58-,59-/m1/s1", "name": "Thermozeaxanthin-15", "names": [ "Thermozeaxanthin-15" ] }, { "compound_id": "C15958", "inchi": "InChI=1S/C63H98O8/c1-45(2)28-22-20-18-16-14-13-15-17-19-21-23-35-57(65)69-44-56-58(66)59(67)60(68)61(71-56)70-53-41-51(8)55(63(11,12)43-53)39-37-49(6)34-27-32-47(4)30-25-24-29-46(3)31-26-33-48(5)36-38-54-50(7)40-52(64)42-62(54,9)10/h24-27,29-34,36-39,45,52-53,56,58-61,64,66-68H,13-23,28,35,40-44H2,1-12H3/b25-24+,31-26+,32-27+,38-36+,39-37+,46-29+,47-30+,48-33+,49-34+/t52-,53-,56-,58-,59+,60-,61-/m1/s1", "name": "Thermozeaxanthin-17", "names": [ "Thermozeaxanthin-17" ] }, { "compound_id": "C15959", "inchi": "InChI=1S/C78H124O14/c1-53(2)33-25-21-17-15-19-23-27-41-67(79)87-51-65-69(81)71(83)73(85)75(91-65)89-61-47-59(9)63(77(11,12)49-61)45-43-57(7)39-31-37-55(5)35-29-30-36-56(6)38-32-40-58(8)44-46-64-60(10)48-62(50-78(64,13)14)90-76-74(86)72(84)70(82)66(92-76)52-88-68(80)42-28-24-20-16-18-22-26-34-54(3)4/h29-32,35-40,43-46,53-54,61-62,65-66,69-76,81-86H,15-28,33-34,41-42,47-52H2,1-14H3/b30-29+,37-31+,38-32+,45-43+,46-44+,55-35+,56-36+,57-39+,58-40+/t61-,62-,65-,66-,69-,70-,71+,72+,73-,74-,75-,76-/m1/s1", "name": "Thermobiszeaxanthin-13-13", "names": [ "Thermobiszeaxanthin-13-13" ] }, { "compound_id": "C15960", "inchi": null, "name": "Octaneuropeptide", "names": [ "Octaneuropeptide" ] }, { "compound_id": "C15961", "inchi": null, "name": "P55-TNFR", "names": [ "P55-TNFR" ] }, { "compound_id": "C15962", "inchi": null, "name": "P75-TNFR", "names": [ "P75-TNFR" ] }, { "compound_id": "C15963", "inchi": "InChI=1S/C80H128O14/c1-55(2)35-27-23-19-16-15-17-21-25-29-43-69(81)89-53-67-71(83)73(85)75(87)77(93-67)91-63-49-61(9)65(79(11,12)51-63)47-45-59(7)41-33-39-57(5)37-31-32-38-58(6)40-34-42-60(8)46-48-66-62(10)50-64(52-80(66,13)14)92-78-76(88)74(86)72(84)68(94-78)54-90-70(82)44-30-26-22-18-20-24-28-36-56(3)4/h31-34,37-42,45-48,55-56,63-64,67-68,71-78,83-88H,15-30,35-36,43-44,49-54H2,1-14H3/b32-31+,39-33+,40-34+,47-45+,48-46+,57-37+,58-38+,59-41+,60-42+/t63-,64-,67-,68-,71-,72-,73+,74+,75-,76-,77-,78-/m1/s1", "name": "Thermobiszeaxanthin-13-15", "names": [ "Thermobiszeaxanthin-13-15" ] }, { "compound_id": "C15964", "inchi": "InChI=1S/C82H132O14/c1-57(2)37-29-25-21-17-15-19-23-27-31-45-71(83)91-55-69-73(85)75(87)77(89)79(95-69)93-65-51-63(9)67(81(11,12)53-65)49-47-61(7)43-35-41-59(5)39-33-34-40-60(6)42-36-44-62(8)48-50-68-64(10)52-66(54-82(68,13)14)94-80-78(90)76(88)74(86)70(96-80)56-92-72(84)46-32-28-24-20-16-18-22-26-30-38-58(3)4/h33-36,39-44,47-50,57-58,65-66,69-70,73-80,85-90H,15-32,37-38,45-46,51-56H2,1-14H3/b34-33+,41-35+,42-36+,49-47+,50-48+,59-39+,60-40+,61-43+,62-44+/t65-,66-,69-,70-,73-,74-,75+,76+,77-,78-,79-,80-/m1/s1", "name": "Thermobiszeaxanthin-15-15", "names": [ "Thermobiszeaxanthin-15-15" ] }, { "compound_id": "C15965", "inchi": "InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-/m1/s1", "name": "3'-Hydroxyechinenone", "names": [ "3'-Hydroxyechinenone" ] }, { "compound_id": "C15966", "inchi": "InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,37,41H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-/m0/s1", "name": "3-Hydroxyechinenone", "names": [ "3-Hydroxyechinenone" ] }, { "compound_id": "C15967", "inchi": "InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1", "name": "Phoenicoxanthin", "names": [ "Adonirubin", "Phoenicoxanthin" ] }, { "compound_id": "C15968", "inchi": "InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1", "name": "Adonixanthin", "names": [ "4-Ketozeaxanthin", "Adonixanthin" ] }, { "compound_id": "C15969", "inchi": "InChI=1S/C52H76O12/c1-31(17-13-19-33(3)21-23-39-35(5)25-37(27-51(39,7)8)61-49-47(59)45(57)43(55)41(29-53)63-49)15-11-12-16-32(2)18-14-20-34(4)22-24-40-36(6)26-38(28-52(40,9)10)62-50-48(60)46(58)44(56)42(30-54)64-50/h11-24,37-38,41-50,53-60H,25-30H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,31-15+,32-16+,33-19+,34-20+/t37-,38-,41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m1/s1", "name": "Zeaxanthin diglucoside", "names": [ "Zeaxanthin diglucoside", "Zeaxanthin-beta-D-diglucoside" ] }, { "compound_id": "C15970", "inchi": "InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1", "name": "Abscisic acid glucose ester", "names": [ "Abscisic acid glucose ester", "Abscisic acid-beta-D-glucopyranosyl ester", "beta-D-Glucopyranosyl abscisate" ] }, { "compound_id": "C15971", "inchi": "InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t11-,13+,14+,15-/m0/s1", "name": "Dihydrophaseic acid", "names": [ "(-)-Dihydrophaseic acid", "Dihydrophaseic acid" ] }, { "compound_id": "C15972", "inchi": null, "name": "Enzyme N6-(lipoyl)lysine", "names": [ "Enzyme N6-(lipoyl)lysine", "Lipoamide-E" ] }, { "compound_id": "C15973", "inchi": null, "name": "Enzyme N6-(dihydrolipoyl)lysine", "names": [ "Dihydrolipoamide-E", "Enzyme N6-(dihydrolipoyl)lysine" ] }, { "compound_id": "C15974", "inchi": "InChI=1S/C17H28N4O8P2S/c1-10(2)7-14(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)15(32-17)5-6-28-31(26,27)29-30(23,24)25/h8,10,14,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1", "name": "3-Methyl-1-hydroxybutyl-ThPP", "names": [ "3-Methyl-1-hydroxybutyl-TPP", "3-Methyl-1-hydroxybutyl-ThPP" ] }, { "compound_id": "C15975", "inchi": null, "name": "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(3-methylbutanoyl)dihydrolipoyllysine", "names": [ "S-(3-Methylbutanoyl)-dihydrolipoamide-E", "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(3-methylbutanoyl)dihydrolipoyllysine" ] }, { "compound_id": "C15976", "inchi": "InChI=1S/C16H26N4O8P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(31-16)5-6-27-30(25,26)28-29(22,23)24/h7,9,14,21H,5-6,8H2,1-4H3,(H4-,17,18,19,22,23,24,25,26)/p+1", "name": "2-Methyl-1-hydroxypropyl-ThPP", "names": [ "2-Methyl-1-hydroxypropyl-TPP", "2-Methyl-1-hydroxypropyl-ThPP" ] }, { "compound_id": "C15977", "inchi": null, "name": "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylpropanoyl)dihydrolipoyllysine", "names": [ "Enzyme N6-(S-[2-methylpropanoyl]dihydrolipoyl)lysine", "S-(2-Methylpropanoyl)-dihydrolipoamide-E", "S-(2-Methylpropionyl)-dihydrolipoamide-E", "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylpropanoyl)dihydrolipoyllysine" ] }, { "compound_id": "C15978", "inchi": "InChI=1S/C17H28N4O8P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(32-17)6-7-28-31(26,27)29-30(23,24)25/h8,10,15,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t10-,15?/m0/s1", "name": "2-Methyl-1-hydroxybutyl-ThPP", "names": [ "2-Methyl-1-hydroxybutyl-TPP", "2-Methyl-1-hydroxybutyl-ThPP" ] }, { "compound_id": "C15979", "inchi": null, "name": "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylbutanoyl)dihydrolipoyllysine", "names": [ "S-(2-Methylbutanoyl)-dihydrolipoamide-E", "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylbutanoyl)dihydrolipoyllysine" ] }, { "compound_id": "C15980", "inchi": "InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,15+,18+,19+,20?,24+/m0/s1", "name": "(S)-2-Methylbutanoyl-CoA", "names": [ "(S)-2-Methylbutanoyl-CoA" ] }, { "compound_id": "C15981", "inchi": "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38?/m0/s1", "name": "alpha-Cryptoxanthin", "names": [ "(3'R,6'R)-beta,epsilon-Caroten-3'-ol", "alpha-Cryptoxanthin" ] }, { "compound_id": "C15982", "inchi": "InChI=1S/C54H80O7/c1-37(2)20-13-16-28-48(55)59-36-47-49(56)50(57)51(58)52(61-47)60-44-34-43(8)46(54(11,12)35-44)32-30-41(6)26-18-24-39(4)22-15-14-21-38(3)23-17-25-40(5)29-31-45-42(7)27-19-33-53(45,9)10/h14-15,17-18,21-26,29-32,37,44,47,49-52,56-58H,13,16,19-20,27-28,33-36H2,1-12H3/b15-14+,23-17+,24-18+,31-29+,32-30+,38-21+,39-22+,40-25+,41-26+/t44-,47-,49-,50+,51-,52-/m1/s1", "name": "Thermocryptoxanthin", "names": [ "Thermocryptoxanthin" ] }, { "compound_id": "C15983", "inchi": "InChI=1S/C54H80O8/c1-36(2)19-13-16-26-48(56)60-35-47-49(57)50(58)51(59)52(62-47)61-44-32-42(8)46(54(11,12)34-44)30-28-40(6)25-18-23-38(4)21-15-14-20-37(3)22-17-24-39(5)27-29-45-41(7)31-43(55)33-53(45,9)10/h14-15,17-18,20-25,27-30,36,43-44,47,49-52,55,57-59H,13,16,19,26,31-35H2,1-12H3/b15-14+,22-17+,23-18+,29-27+,30-28+,37-20+,38-21+,39-24+,40-25+/t43-,44-,47-,49-,50+,51-,52-/m1/s1", "name": "Thermozeaxanthin", "names": [ "Thermozeaxanthin", "Zeaxanthin glucoside ester" ] }, { "compound_id": "C15984", "inchi": "InChI=1S/C68H104O14/c1-43(2)23-15-19-31-57(69)77-41-55-59(71)61(73)63(75)65(81-55)79-51-37-49(9)53(67(11,12)39-51)35-33-47(7)29-21-27-45(5)25-17-18-26-46(6)28-22-30-48(8)34-36-54-50(10)38-52(40-68(54,13)14)80-66-64(76)62(74)60(72)56(82-66)42-78-58(70)32-20-16-24-44(3)4/h17-18,21-22,25-30,33-36,43-44,51-52,55-56,59-66,71-76H,15-16,19-20,23-24,31-32,37-42H2,1-14H3/b18-17+,27-21+,28-22+,35-33+,36-34+,45-25+,46-26+,47-29+,48-30+/t51-,52-,55-,56-,59-,60-,61+,62+,63-,64-,65-,66-/m1/s1", "name": "Thermobiszeaxanthin", "names": [ "Thermobiszeaxanthin", "Zeaxanthin diglucoside diester" ] }, { "compound_id": "C15985", "inchi": "InChI=1S/C22H28N2O3/c1-4-12-13-9-16-19-22(14-7-5-6-8-15(14)23(19)3)10-17(24(16)21(12)26)18(13)20(22)27-11(2)25/h5-8,12-13,16-21,26H,4,9-10H2,1-3H3/t12?,13-,16+,17+,18?,19+,20-,21-,22?/m1/s1", "name": "17-O-Acetylajmaline", "names": [ "17-O-Acetylajmaline" ] }, { "compound_id": "C15986", "inchi": "InChI=1S/C10H14N2O3/c1-11-6-2-3-8(13)7-4-5-9(14)12-10(7)15/h4-5,11H,2-3,6H2,1H3,(H2,12,14,15)", "name": "2,6-Dihydroxypseudooxynicotine", "names": [ "2,6-Dihydroxypseudooxynicotine" ] }, { "compound_id": "C15987", "inchi": "InChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)", "name": "4-Methylaminobutyrate", "names": [ "4-Methylaminobutyrate", "gamma-N-Methylaminobutyrate" ] }, { "compound_id": "C15988", "inchi": "InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m0/s1", "name": "(9S,10S)-9,10-Dihydroxyoctadecanoate", "names": [ "(9S,10S)-9,10-Dihydroxyoctadecanoate" ] }, { "compound_id": "C15989", "inchi": "InChI=1S/C18H37O7P/c1-2-3-4-5-7-10-13-16(19)17(25-26(22,23)24)14-11-8-6-9-12-15-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)(H2,22,23,24)/t16-,17-/m0/s1", "name": "(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate", "names": [ "(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate" ] }, { "compound_id": "C15990", "inchi": "InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4+,5-,6+", "name": "1L-myo-Inositol 1,2,3,4,6-pentakisphosphate", "names": [ "1L-myo-Inositol 1,2,3,4,6-pentakisphosphate", "myo-Inositol 1,2,3,4,6-pentakisphosphate" ] }, { "compound_id": "C15991", "inchi": "InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)", "name": "myo-Inositol pentakisphosphate", "names": [ "myo-Inositol pentakisphosphate" ] }, { "compound_id": "C15992", "inchi": "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1", "name": "Cholesterol-5alpha,6alpha-epoxide", "names": [ "5,6alpha-Epoxy-5alpha-cholestan-3beta-ol", "Cholesterol-5alpha,6alpha-epoxide" ] }, { "compound_id": "C15995", "inchi": null, "name": "Bombesin", "names": [ "Bombesin" ] }, { "compound_id": "C15996", "inchi": "InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)", "name": "7-Cyano-7-deazaguanine", "names": [ "7-Cyano-7-carbaguanine", "7-Cyano-7-deazaguanine" ] }, { "compound_id": "C15997", "inchi": "InChI=1S/C4H3N3O4.K/c8-2(9)1-5-3(10)7-4(11)6-1;/h(H,8,9)(H2,5,6,7,10,11);/q;+1/p-1", "name": "Potassium 2,6-dihydroxytriazinecarboxylate", "names": [ "Oteracil potassium", "Potassium 2,6-dihydroxytriazinecarboxylate", "Potassium oxonate" ] }, { "compound_id": "C15998", "inchi": "InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1", "name": "L-Methionine (R)-S-oxide", "names": [ "L-Methionine (R)-S-oxide" ] }, { "compound_id": "C15999", "inchi": "InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1", "name": "L-Methionine (S)-S-oxide", "names": [ "L-Methionine (S)-S-oxide" ] }, { "compound_id": "C16000", "inchi": null, "name": "Urodilatin", "names": [ "Urodilatin" ] }, { "compound_id": "C16001", "inchi": "InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b30-28+,31-29+;;;;", "name": "Reactive black 5", "names": [ "Reactive black 5" ] }, { "compound_id": "C16002", "inchi": null, "name": "Oxidized reactive black 5", "names": [ "Oxidized reactive black 5" ] }, { "compound_id": "C16003", "inchi": null, "name": "Atrial natriuretic peptide", "names": [ "ANP", "Atrial natriuretic peptide", "Atrial natruiretic factor" ] }, { "compound_id": "C16004", "inchi": null, "name": "Brain natriuretic peptide", "names": [ "BNP", "Brain natriuretic peptide" ] }, { "compound_id": "C16005", "inchi": null, "name": "C-Type natriuretic peptide", "names": [ "C-Type natriuretic peptide", "CNP" ] }, { "compound_id": "C16006", "inchi": null, "name": "Uroguanylin", "names": [ "Uroguanylin" ] }, { "compound_id": "C16007", "inchi": null, "name": "Guanylin", "names": [ "Guanylin" ] }, { "compound_id": "C16008", "inchi": "InChI=1S/C59H89N17O14/c1-3-34(2)47(60)53(85)72-41(32-77)50(82)69-37(19-10-24-65-58(61)62)54(86)76-28-14-23-45(76)56(88)75-27-12-21-43(75)51(83)67-31-46(79)68-39(29-35-15-6-4-7-16-35)48(80)73-42(33-78)55(87)74-26-13-22-44(74)52(84)71-40(30-36-17-8-5-9-18-36)49(81)70-38(57(89)90)20-11-25-66-59(63)64/h4-9,15-18,34,37-45,47,77-78H,3,10-14,19-33,60H2,1-2H3,(H,67,83)(H,68,79)(H,69,82)(H,70,81)(H,71,84)(H,72,85)(H,73,80)(H,89,90)(H4,61,62,65)(H4,63,64,66)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1", "name": "T-kinin", "names": [ "Ile-Ser-bradykinin", "T-kinin" ] }, { "compound_id": "C16009", "inchi": null, "name": "Big endothelin", "names": [ "Big endothelin" ] }, { "compound_id": "C16010", "inchi": null, "name": "Endothelin-1", "names": [ "Endothelin-1" ] }, { "compound_id": "C16011", "inchi": null, "name": "Protein-omega-N-(ADP-D-ribosyl)-L-arginine", "names": [ "Nomega-(ADP-D-ribosyl)-protein-L-arginine", "Protein-Nomega-(ADP-D-ribosyl)-L-arginine", "Protein-omega-N-(ADP-D-ribosyl)-L-arginine" ] }, { "compound_id": "C16012", "inchi": null, "name": "Endothelin-2", "names": [ "Endothelin-2" ] }, { "compound_id": "C16013", "inchi": null, "name": "Endothelin-3", "names": [ "Endothelin-3" ] }, { "compound_id": "C16014", "inchi": "InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+", "name": "cis-Stilbene oxide", "names": [ "cis-Stilbene oxide" ] }, { "compound_id": "C16015", "inchi": "InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1", "name": "(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol", "names": [ "(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol" ] }, { "compound_id": "C16016", "inchi": null, "name": "Urotensin II", "names": [ "Urotensin II" ] }, { "compound_id": "C16017", "inchi": null, "name": "alpha-Endorphin", "names": [ "alpha-Endorphin" ] }, { "compound_id": "C16018", "inchi": null, "name": "gamma-Endorphin", "names": [ "gamma-Endorphin" ] }, { "compound_id": "C16019", "inchi": null, "name": "beta-Lipotropin", "names": [ "beta-LPH", "beta-Lipotropin" ] }, { "compound_id": "C16020", "inchi": null, "name": "gamma-Lipotropin", "names": [ "gamma-LPH", "gamma-Lipotropin" ] }, { "compound_id": "C16021", "inchi": null, "name": "Somatostatin-28", "names": [ "Somatostatin-2", "Somatostatin-28" ] }, { "compound_id": "C16022", "inchi": null, "name": "Somatostatin-14", "names": [ "Somatostatin-1", "Somatostatin-14" ] }, { "compound_id": "C16023", "inchi": null, "name": "Cortistatin-29", "names": [ "Cortistatin-29" ] }, { "compound_id": "C16024", "inchi": null, "name": "Cortistatin-17", "names": [ "Cortistatin-17" ] }, { "compound_id": "C16025", "inchi": null, "name": "Ghrelin", "names": [ "Ghrelin" ] }, { "compound_id": "C16027", "inchi": null, "name": "Cocaine- and Amphetamine- regulated transcript (1-39)", "names": [ "CART(1-39)", "Cocaine and Amphetamine regulated transcript (1-39)", "Cocaine- and Amphetamine- regulated transcript (1-39)" ] }, { "compound_id": "C16028", "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1", "name": "Amorpha-4,11-diene", "names": [ "Amorpha-4,11-diene" ] }, { "compound_id": "C16029", "inchi": null, "name": "Cocaine- and Amphetamine- regulated transcript (42-89)", "names": [ "CART(42-89)", "Cocaine and Amphetamine regulated transcript (42-89)", "Cocaine- and Amphetamine- regulated transcript (42-89)" ] }, { "compound_id": "C16030", "inchi": null, "name": "Melanin-concentrating hormone", "names": [ "MCH", "Melanin-concentrating hormone" ] }, { "compound_id": "C16031", "inchi": null, "name": "Neuropeptide GE", "names": [ "Neuropeptide GE" ] }, { "compound_id": "C16032", "inchi": null, "name": "Neuropeptide W-30", "names": [ "Neuropeptide W-30" ] }, { "compound_id": "C16033", "inchi": null, "name": "Neuropeptide W-23", "names": [ "Neuropeptide W-23" ] }, { "compound_id": "C16034", "inchi": null, "name": "Neuropeptide B-29", "names": [ "Neuropeptide B-29" ] }, { "compound_id": "C16035", "inchi": null, "name": "Neuropeptide B-23", "names": [ "Neuropeptide B-23" ] }, { "compound_id": "C16036", "inchi": null, "name": "Neuropeptide S", "names": [ "Neuropeptide S" ] }, { "compound_id": "C16037", "inchi": null, "name": "Leumorphin", "names": [ "Leumorphin" ] }, { "compound_id": "C16038", "inchi": "InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)", "name": "2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine", "names": [ "2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine", "PhIP" ] }, { "compound_id": "C16039", "inchi": null, "name": "alpha-Neoendorphin", "names": [ "alpha-Neoendorphin" ] }, { "compound_id": "C16040", "inchi": null, "name": "beta-Neoendorphin", "names": [ "beta-Neoendorphin" ] }, { "compound_id": "C16041", "inchi": null, "name": "Leu-enkephalin", "names": [ "Leu-enkephalin" ] }, { "compound_id": "C16042", "inchi": null, "name": "Met-enkephalin-Arg-Gly-Leu", "names": [ "Met-enkephalin-Arg-Gly-Leu" ] }, { "compound_id": "C16043", "inchi": null, "name": "Met-enkephalin-Arg-Phe", "names": [ "Met-enkephalin-Arg-Phe" ] }, { "compound_id": "C16044", "inchi": null, "name": "Nociceptin", "names": [ "Nociceptin", "Orphanin FQ" ] }, { "compound_id": "C16045", "inchi": null, "name": "RFamide-related peptide 2", "names": [ "RFRP-2", "RFamide-related peptide 2" ] }, { "compound_id": "C16046", "inchi": null, "name": "Galanin-like peptide", "names": [ "Galanin-like peptide" ] }, { "compound_id": "C16047", "inchi": null, "name": "Motilin", "names": [ "Motilin" ] }, { "compound_id": "C16048", "inchi": null, "name": "Glucagon-like peptide 1", "names": [ "GLP-1", "Glucagon-like peptide 1" ] }, { "compound_id": "C16049", "inchi": null, "name": "Glucagon-like peptide 2", "names": [ "GLP-2", "Glucagon-like peptide 2" ] }, { "compound_id": "C16050", "inchi": null, "name": "Glicentin", "names": [ "Glicentin" ] }, { "compound_id": "C16051", "inchi": null, "name": "Parathyroid hormone", "names": [ "PTH", "Parathormone", "Parathyroid hormone" ] }, { "compound_id": "C16052", "inchi": null, "name": "Parathyroid hormone-related peptide (1-36)", "names": [ "PTHrP (1-36)", "Parathyroid hormone-related peptide (1-36)" ] }, { "compound_id": "C16053", "inchi": null, "name": "Tuberoinfundibular peptide of 39 residues", "names": [ "TIP39", "Tuberoinfundibular peptide of 39 residues" ] }, { "compound_id": "C16054", "inchi": null, "name": "Defensin alpha-1", "names": [ "Defensin alpha-1" ] }, { "compound_id": "C16055", "inchi": null, "name": "Defensin alpha-2", "names": [ "Defensin alpha-2" ] }, { "compound_id": "C16056", "inchi": null, "name": "Defensin alpha-3", "names": [ "Defensin alpha-3" ] }, { "compound_id": "C16057", "inchi": null, "name": "Defensin alpha-4", "names": [ "Defensin alpha-4" ] }, { "compound_id": "C16058", "inchi": null, "name": "Defensin alpha-5", "names": [ "Defensin alpha-5" ] }, { "compound_id": "C16059", "inchi": null, "name": "Defensin beta-1", "names": [ "Defensin beta-1" ] }, { "compound_id": "C16060", "inchi": null, "name": "Defensin beta-2", "names": [ "Defensin beta-2" ] }, { "compound_id": "C16061", "inchi": null, "name": "Defensin beta-3", "names": [ "Defensin beta-3" ] }, { "compound_id": "C16062", "inchi": null, "name": "Defensin beta-4", "names": [ "Defensin beta-4" ] }, { "compound_id": "C16063", "inchi": null, "name": "Liver-expressed antimicrobial peptide 1", "names": [ "LEAP-1", "Liver-expressed antimicrobial peptide 1" ] }, { "compound_id": "C16064", "inchi": null, "name": "Liver-expressed antimicrobial peptide 2", "names": [ "LEAP-2", "Liver-expressed antimicrobial peptide 2" ] }, { "compound_id": "C16065", "inchi": null, "name": "Thymosin alpha-1", "names": [ "Thymosin alpha-1" ] }, { "compound_id": "C16066", "inchi": null, "name": "Thymosin beta-4", "names": [ "Thymosin beta-4" ] }, { "compound_id": "C16067", "inchi": null, "name": "Thymosin beta-10", "names": [ "Thymosin beta-10" ] }, { "compound_id": "C16068", "inchi": null, "name": "Humanin", "names": [ "Humanin" ] }, { "compound_id": "C16069", "inchi": "InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)", "name": "3-Sulfolactate", "names": [ "3-Sulfolactate" ] }, { "compound_id": "C16070", "inchi": "InChI=1S/C12H22NO12P/c13-3-5(16)4(15)2(1-14)22-12(3)23-9-7(18)6(17)8(19)10-11(9)25-26(20,21)24-10/h2-12,14-19H,1,13H2,(H,20,21)/t2-,3-,4-,5-,6+,7+,8-,9-,10-,11+,12-/m1/s1", "name": "6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate", "names": [ "6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate" ] }, { "compound_id": "C16071", "inchi": "InChI=1S/C17H19N4O8P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(24)20-17(25)19-15)5-11(22)14(23)12-6-28-30(26,27)29-12/h3-4,11-12,14,22-23H,5-6H2,1-2H3,(H,26,27)(H,20,24,25)/t11-,12+,14-/m0/s1", "name": "Riboflavin cyclic-4',5'-phosphate", "names": [ "Riboflavin cyclic-4',5'-phosphate" ] }, { "compound_id": "C16072", "inchi": null, "name": "Aliphatic nitrile", "names": [ "Aliphatic nitrile" ] }, { "compound_id": "C16074", "inchi": "InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2", "name": "Phenylacetonitrile", "names": [ "Benzyl cyanide", "Phenylacetonitrile" ] }, { "compound_id": "C16075", "inchi": "InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7-", "name": "(Z)-Phenylacetaldehyde oxime", "names": [ "(Z)-Phenylacetaldehyde oxime" ] }, { "compound_id": "C16076", "inchi": null, "name": "Urotensin I", "names": [ "Urotensin I" ] }, { "compound_id": "C16077", "inchi": null, "name": "Neurophysin I", "names": [ "Neurophysin I" ] }, { "compound_id": "C16078", "inchi": null, "name": "Neurophysin II", "names": [ "Neurophysin II" ] }, { "compound_id": "C16079", "inchi": null, "name": "Corticotropin releasing hormone", "names": [ "CRH", "Corticoliberin", "Corticotropin releasing hormone" ] }, { "compound_id": "C16080", "inchi": null, "name": "Urocortin I", "names": [ "Urocortin I" ] }, { "compound_id": "C16081", "inchi": null, "name": "Urocortin II", "names": [ "Urocortin II" ] }, { "compound_id": "C16082", "inchi": null, "name": "Urocortin III", "names": [ "Urocortin III" ] }, { "compound_id": "C16084", "inchi": null, "name": "Gonadotropin-releasing hormone II", "names": [ "GnRH-II", "Gonadoliberin-II", "Gonadotropin-releasing hormone II" ] }, { "compound_id": "C16085", "inchi": null, "name": "Growth hormone-releasing hormone (1-29)", "names": [ "GHRH(1-29)", "Growth hormone-releasing factor (1-29)", "Growth hormone-releasing hormone (1-29)" ] }, { "compound_id": "C16086", "inchi": null, "name": "Prolactin-releasing peptide-31", "names": [ "Prolactin-releasing peptide-31" ] }, { "compound_id": "C16087", "inchi": null, "name": "Prolactin-releasing peptide-20", "names": [ "Prolactin-releasing peptide-20" ] }, { "compound_id": "C16088", "inchi": null, "name": "Pituitary adenylate cyclase-activating peptide-38", "names": [ "PACAP-38", "Pituitary adenylate cyclase-activating peptide-38" ] }, { "compound_id": "C16089", "inchi": null, "name": "Pituitary adenylate cyclase-activating peptide-27", "names": [ "PACAP-27", "Pituitary adenylate cyclase-activating peptide-27" ] }, { "compound_id": "C16090", "inchi": null, "name": "Metastin", "names": [ "Metastin" ] }, { "compound_id": "C16091", "inchi": null, "name": "Kisspeptin-14", "names": [ "Kisspeptin-14" ] }, { "compound_id": "C16092", "inchi": null, "name": "Kisspeptin-13", "names": [ "Kisspeptin-13" ] }, { "compound_id": "C16093", "inchi": null, "name": "Kisspeptin-10", "names": [ "Kisspeptin-10" ] }, { "compound_id": "C16094", "inchi": null, "name": "Substance P", "names": [ "Substance P" ] }, { "compound_id": "C16095", "inchi": null, "name": "Neuropeptide K", "names": [ "Neuropeptide K" ] }, { "compound_id": "C16096", "inchi": null, "name": "Neuropeptide gamma", "names": [ "Neuropeptide gamma" ] }, { "compound_id": "C16097", "inchi": "InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31-,32-,33-,34-,35-,36-,37-,40-,41-/m0/s1", "name": "Neurokinin A", "names": [ "Neurokinin A", "Neuromedin L", "Substance K" ] }, { "compound_id": "C16098", "inchi": "InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1", "name": "Neurokinin B", "names": [ "Neurokinin B", "Neuromedin K", "Tachykinin-3" ] }, { "compound_id": "C16099", "inchi": null, "name": "Endokinin A/B", "names": [ "Endokinin A/B" ] }, { "compound_id": "C16100", "inchi": null, "name": "Endokinin C", "names": [ "Endokinin C" ] }, { "compound_id": "C16101", "inchi": null, "name": "Endokinin D", "names": [ "Endokinin D" ] }, { "compound_id": "C16102", "inchi": null, "name": "Obestatin", "names": [ "Obestatin" ] }, { "compound_id": "C16103", "inchi": null, "name": "Agouti related protein (87-132)", "names": [ "Agouti", "Agouti related protein (87-132)" ] }, { "compound_id": "C16104", "inchi": null, "name": "Neuropeptide EI", "names": [ "Neuropeptide EI" ] }, { "compound_id": "C16105", "inchi": null, "name": "Orexin A", "names": [ "Orexin A" ] }, { "compound_id": "C16106", "inchi": null, "name": "Orexin B", "names": [ "Orexin B" ] }, { "compound_id": "C16107", "inchi": null, "name": "Neuromedin S", "names": [ "Neuromedin S" ] }, { "compound_id": "C16108", "inchi": "InChI=1/C44H69N15O9S/c1-25(2)36(37(46)63)59-41(67)31(12-8-19-52-44(49)50)57-39(65)30(11-7-18-51-43(47)48)56-40(66)32(17-20-69-3)58-42(68)33(22-26-9-5-4-6-10-26)55-35(62)24-53-34(61)23-54-38(64)29(45)21-27-13-15-28(60)16-14-27/h4-6,9-10,13-16,25,29-33,36,60H,7-8,11-12,17-24,45H2,1-3H3,(H2,46,63)(H,53,61)(H,54,64)(H,55,62)(H,56,66)(H,57,65)(H,58,68)(H,59,67)(H4,47,48,51)(H4,49,50,52)/t29-,30-,31+,32-,33-,36-/m0/s1/f/h47,49,51-59H,46,48,50H2", "name": "Adrenorphin", "names": [ "Adrenorphin" ] }, { "compound_id": "C16109", "inchi": null, "name": "RFamide-related peptide 1", "names": [ "RFRP-1", "RFamide-related peptide 1" ] }, { "compound_id": "C16110", "inchi": null, "name": "RFamide-related peptide 3", "names": [ "RFRP-3", "RFamide-related peptide 3" ] }, { "compound_id": "C16111", "inchi": null, "name": "Neuropeptide AF", "names": [ "Neuropeptide AF" ] }, { "compound_id": "C16112", "inchi": null, "name": "Neuropeptide FF", "names": [ "Neuropeptide FF" ] }, { "compound_id": "C16113", "inchi": null, "name": "Gastrin-17", "names": [ "Gastrin-17", "Heptadecapeptide gastrin", "Little gastrin" ] }, { "compound_id": "C16114", "inchi": null, "name": "Cholecystokinin-8", "names": [ "CCK-8", "Cholecystokinin-8" ] }, { "compound_id": "C16115", "inchi": null, "name": "Gastrin-releasing peptide", "names": [ "GRP", "Gastrin-releasing peptide" ] }, { "compound_id": "C16116", "inchi": null, "name": "L-Aminoacyl-L-amino acid", "names": [ "L-Aminoacyl-L-amino acid" ] }, { "compound_id": "C16117", "inchi": null, "name": "Pancreatic polypeptide", "names": [ "Pancreatic polypeptide" ] }, { "compound_id": "C16118", "inchi": null, "name": "Peptide YY", "names": [ "Peptide YY" ] }, { "compound_id": "C16119", "inchi": null, "name": "Vasoactive intestinal peptide", "names": [ "VIP", "Vasoactive intestinal peptide" ] }, { "compound_id": "C16120", "inchi": null, "name": "C-peptide", "names": [ "C-peptide" ] }, { "compound_id": "C16121", "inchi": null, "name": "Relaxin-1", "names": [ "Relaxin-1" ] }, { "compound_id": "C16122", "inchi": null, "name": "Relaxin-2", "names": [ "Relaxin-2" ] }, { "compound_id": "C16123", "inchi": null, "name": "Relaxin-3", "names": [ "Relaxin-3" ] }, { "compound_id": "C16124", "inchi": null, "name": "Insulin-like 3", "names": [ "INSL 3", "Insulin-like 3", "Relaxin-like factor" ] }, { "compound_id": "C16125", "inchi": null, "name": "Calcitonin gene-related peptide 1", "names": [ "Calcitonin gene-related peptide 1", "Calcitonin-related polypeptide alpha", "alpha-CGRP" ] }, { "compound_id": "C16126", "inchi": null, "name": "Calcitonin gene-related peptide 2", "names": [ "Calcitonin gene-related peptide 2", "Calcitonin-related polypeptide beta", "beta-CGRP" ] }, { "compound_id": "C16127", "inchi": null, "name": "Adrenomedullin", "names": [ "Adrenomedullin" ] }, { "compound_id": "C16128", "inchi": null, "name": "Adrenomedullin 2", "names": [ "Adrenomedullin 2" ] }, { "compound_id": "C16129", "inchi": null, "name": "Calcitonin receptor-stimulating peptide 1", "names": [ "CRSP-1", "Calcitonin receptor-stimulating peptide 1" ] }, { "compound_id": "C16130", "inchi": null, "name": "Amylin", "names": [ "Amylin", "Islet amyloid polypeptide" ] }, { "compound_id": "C16131", "inchi": null, "name": "Insulin-like growth factor I", "names": [ "Insulin-like growth factor I", "Somatomedin C" ] }, { "compound_id": "C16132", "inchi": null, "name": "Insulin-like growth factor II", "names": [ "Insulin-like growth factor II", "Somatomedin A" ] }, { "compound_id": "C16133", "inchi": null, "name": "Cholecystokinin-33", "names": [ "CCK-33", "Cholecystokinin-33" ] }, { "compound_id": "C16134", "inchi": null, "name": "Corticotropin-like intermediary peptide", "names": [ "Corticotropin-like intermediary peptide" ] }, { "compound_id": "C16135", "inchi": null, "name": "Dynorphin B", "names": [ "Dynorphin B", "Rimorphin" ] }, { "compound_id": "C16136", "inchi": null, "name": "beta-Melanotropin", "names": [ "beta-MSH", "beta-Melanocyte-stimulating hormone", "beta-Melanotropin" ] }, { "compound_id": "C16137", "inchi": null, "name": "gamma-Melanotropin", "names": [ "gamma-MSH", "gamma-Melanocyte-stimulating hormone", "gamma-Melanotropin" ] }, { "compound_id": "C16138", "inchi": "InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1", "name": "L-Pyrrolysine", "names": [ "L-Pyrrolysine", "Pyrrolysine" ] }, { "compound_id": "C16139", "inchi": null, "name": "tRNA(Pyl)", "names": [ "tRNA(Pyl)" ] }, { "compound_id": "C16140", "inchi": null, "name": "L-Lysyl-tRNA(Pyl)", "names": [ "L-Lysyl-tRNA(Pyl)" ] }, { "compound_id": "C16141", "inchi": "InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6-,14-9+/t15-/m1/s1", "name": "(+)-Germacrene A", "names": [ "(+)-(R)-germacrene A", "(+)-Germacrene A" ] }, { "compound_id": "C16142", "inchi": "InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7-/t15-/m0/s1", "name": "(-)-Germacrene D", "names": [ "(-)-Germacrene D" ] }, { "compound_id": "C16143", "inchi": "InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6-/t13-,14+/m0/s1", "name": "(1E,4S,5E,7R)-Germacra-1(10),5-dien-11-ol", "names": [ "(1E,4S,5E,7R)-Germacra-1(10),5-dien-11-ol", "Germacradienol" ] }, { "compound_id": "C16144", "inchi": "InChI=1S/C30H48/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9-,27-17+,28-18+,29-23+,30-24+", "name": "4,4'-Diapophytoene", "names": [ "4,4'-Diapophytoene", "Dehydrosqualene" ] }, { "compound_id": "C16145", "inchi": "InChI=1S/C30H42/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-11,13-19,21-24H,12,20H2,1-8H3/b10-9+,19-11+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+", "name": "4,4'-Diaponeurosporene", "names": [ "4,4'-Diaponeurosporene" ] }, { "compound_id": "C16146", "inchi": "InChI=1S/C30H40O2/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30(31)32/h8-9,11-16,18-23H,10,17H2,1-7H3,(H,31,32)/b9-8+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+", "name": "4,4'-Diaponeurosporenic acid", "names": [ "4,4'-Diaponeurosporenic acid" ] }, { "compound_id": "C16147", "inchi": "InChI=1S/C36H50O7/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)35(41)43-36-34(40)33(39)32(38)31(24-37)42-36/h8-9,11-16,18-23,31-34,36-40H,10,17,24H2,1-7H3/b9-8+,18-11+,19-12+,22-13+,26-15+,27-16+,28-20+,29-21+,30-23+/t31-,32-,33+,34-,36+/m1/s1", "name": "Glycosyl-4,4'-diaponeurosporenoate", "names": [ "Glycosyl-4,4'-diaponeurosporenoate" ] }, { "compound_id": "C16148", "inchi": "InChI=1S/C51H78O8/c1-10-39(4)26-17-15-13-11-12-14-16-18-36-46(52)57-37-45-47(53)48(54)49(55)51(58-45)59-50(56)44(9)35-24-34-43(8)33-23-31-41(6)28-20-19-27-40(5)30-22-32-42(7)29-21-25-38(2)3/h19-20,22-25,27-28,30-35,39,45,47-49,51,53-55H,10-18,21,26,29,36-37H2,1-9H3/b20-19+,30-22+,31-23+,34-24+,40-27+,41-28+,42-32+,43-33+,44-35+/t39?,45-,47-,48+,49-,51+/m1/s1", "name": "Staphyloxanthin", "names": [ "Staphyloxanthin" ] }, { "compound_id": "C16149", "inchi": "InChI=1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/b6-5-", "name": "(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate", "names": [ "(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate", "cis-2'-Carboxybenzalpyruvate" ] }, { "compound_id": "C16150", "inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3", "name": "(R,S)-Nicotine", "names": [ "(+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine", "(R,S)-Nicotine" ] }, { "compound_id": "C16151", "inchi": "InChI=1S/C10H12N2O2/c1-12-6-2-3-8(12)7-4-5-9(13)11-10(7)14/h3-5H,2,6H2,1H3,(H2,11,13,14)", "name": "2,6-Dihydroxy-N-methylmyosmine", "names": [ "2,6-Dihydroxy-N-methylmyosmine" ] }, { "compound_id": "C16152", "inchi": "InChI=1S/C10H6N2O6/c13-5-1-3(7(15)11-9(5)17)4-2-6(14)10(18)12-8(4)16/h1-2,13-14H,(H,11,15,17)(H,12,16,18)/b4-3+", "name": "Blue pigment", "names": [ "Blue pigment" ] }, { "compound_id": "C16153", "inchi": "InChI=1S/C14H23N3O15P2/c15-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)17-2-1-7(18)16-14(17)23/h1-2,5-6,8-13,19-22H,3-4,15H2,(H,24,25)(H,26,27)(H,16,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1", "name": "UDP-L-Ara4N", "names": [ "UDP-4-amino-4-deoxy-L-arabinose", "UDP-4-amino-4-deoxy-beta-L-arabinopyranose", "UDP-L-Ara4N" ] }, { "compound_id": "C16154", "inchi": "InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1", "name": "UDP-L-Ara4FN", "names": [ "UDP-4-deoxy-4-formamido-beta-L-arabinopyranose", "UDP-L-Ara4FN", "Uridine 5'-diphospho-beta-(4-deoxy-4-formamido-L-arabinose)" ] }, { "compound_id": "C16155", "inchi": "InChI=1S/C14H20N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,6,8-13,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t6-,8+,9-,10-,11-,12-,13-/m1/s1", "name": "UDP-L-Ara4O", "names": [ "UDP-4''-ketopentose", "UDP-L-Ara4O", "UDP-beta-L-threo-pentapyranos-4-ulose", "Uridine 5'-diphospho-beta-(L-threo-pentapyranosyl-4''-ulose)" ] }, { "compound_id": "C16156", "inchi": "InChI=1S/C61H100NO8P/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-69-71(66,67)70-61-60(65)59(64)58(45-68-61)62-46-63/h23,25,27,29,31,33,35,37,39,41,43,46,58-61,64-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,62,63)(H,66,67)/b48-25+,49-27+,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-/t58-,59-,60+,61-/m0/s1", "name": "Undecaprenyl phosphate alpha-L-Ara4FN", "names": [ "Undecaprenyl phosphate alpha-L-Ara4FN" ] }, { "compound_id": "C16157", "inchi": "InChI=1S/C60H100NO7P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-67-69(64,65)68-60-59(63)58(62)57(61)45-66-60/h23,25,27,29,31,33,35,37,39,41,43,57-60,62-63H,13-22,24,26,28,30,32,34,36,38,40,42,44-45,61H2,1-12H3,(H,64,65)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58-,59+,60-/m0/s1", "name": "Undecaprenyl phosphate alpha-L-Ara4N", "names": [ "Undecaprenyl phosphate alpha-L-Ara4N" ] }, { "compound_id": "C16158", "inchi": null, "name": "Exendin-2", "names": [ "Exendin-2" ] }, { "compound_id": "C16159", "inchi": "InChI=1S/C6H8O5/c7-3-4(6(10)11)1-2-5(8)9/h3-4H,1-2H2,(H,8,9)(H,10,11)", "name": "2-Formylglutarate", "names": [ "2-Formylglutarate" ] }, { "compound_id": "C16160", "inchi": null, "name": "Linoleoyl-[acyl-carrier protein]", "names": [ "(9Z,12Z)-Octadecadienoyl-ACP", "(9Z,12Z)-Octadecadienoyl-[acyl-carrier protein]", "Linoleoyl-ACP", "Linoleoyl-[acyl-carrier protein]" ] }, { "compound_id": "C16161", "inchi": null, "name": "alpha-Linolenoyl-ACP", "names": [ "(9Z,12Z,15Z)-Octadecatrienoyl-ACP", "(9Z,12Z,15Z)-Octadecatrienoyl-[acyl-carrier protein]", "alpha-Linolenoyl-ACP", "alpha-Linolenoyl-[acyl-carrier protein]" ] }, { "compound_id": "C16162", "inchi": "InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,26-28,32-34,38,49-50H,4,7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-/t28-,32-,33-,34?,38-/m1/s1", "name": "(9Z,12Z,15Z)-Octadecatrienoyl-CoA", "names": [ "(9Z,12Z,15Z)-Octadecatrienoyl-CoA", "alpha-Linolenoyl-CoA" ] }, { "compound_id": "C16163", "inchi": "InChI=1S/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,14-15,26-28,32-34,38,49-50H,4,7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-,15-14-/t28-,32-,33-,34?,38-/m1/s1", "name": "(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA", "names": [ "(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA", "Stearidonoyl-CoA" ] }, { "compound_id": "C16164", "inchi": "InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,28-30,34-36,40,51-52H,4,7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-/t30-,34-,35-,36?,40-/m1/s1", "name": "(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA", "names": [ "(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA" ] }, { "compound_id": "C16165", "inchi": "InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36?,40-/m1/s1", "name": "(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA", "names": [ "(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA" ] }, { "compound_id": "C16166", "inchi": "InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4,7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38?,42-/m1/s1", "name": "(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA", "names": [ "(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA" ] }, { "compound_id": "C16167", "inchi": "InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40?,44-/m1/s1", "name": "(9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA", "names": [ "(9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA" ] }, { "compound_id": "C16168", "inchi": "InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40?,44-/m1/s1", "name": "(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA", "names": [ "(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA" ] }, { "compound_id": "C16169", "inchi": "InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38?,42-/m1/s1", "name": "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA", "names": [ "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA" ] }, { "compound_id": "C16170", "inchi": "InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4-7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38?,42-/m1/s1", "name": "(7Z,10Z,13Z,16Z)-Docosatetraenoyl-CoA", "names": [ "(7Z,10Z,13Z,16Z)-Docosatetraenoyl-CoA" ] }, { "compound_id": "C16171", "inchi": "InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40?,44-/m1/s1", "name": "(9Z,12Z,15Z,18Z)-Tetracosatetraenoyl-CoA", "names": [ "(9Z,12Z,15Z,18Z)-Tetracosatetraenoyl-CoA" ] }, { "compound_id": "C16172", "inchi": "InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40?,44-/m1/s1", "name": "(6Z,9Z,12Z,15Z,18Z)-Tetracosapentaenoyl-CoA", "names": [ "(6Z,9Z,12Z,15Z,18Z)-Tetracosapentaenoyl-CoA" ] }, { "compound_id": "C16173", "inchi": "InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4-7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38?,42-/m1/s1", "name": "(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA", "names": [ "(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA" ] }, { "compound_id": "C16174", "inchi": null, "name": "Litorin", "names": [ "Litorin" ] }, { "compound_id": "C16175", "inchi": null, "name": "Ranatensin", "names": [ "Ranatensin" ] }, { "compound_id": "C16176", "inchi": null, "name": "Sarafotoxin S6b", "names": [ "Sarafotoxin S6b" ] }, { "compound_id": "C16178", "inchi": null, "name": "Insulin-like peptide 5", "names": [ "Insulin-like peptide 5" ] }, { "compound_id": "C16179", "inchi": "InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,28-30,34-36,40,51-52H,4,7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-/t30-,34-,35-,36?,40-/m1/s1", "name": "(11Z,14Z,17Z)-Icosatrienoyl-CoA", "names": [ "(11Z,14Z,17Z)-Icosatrienoyl-CoA" ] }, { "compound_id": "C16180", "inchi": "InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,28-30,34-36,40,51-52H,4-7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-/t30-,34-,35-,36?,40-/m1/s1", "name": "(11Z,14Z)-Icosadienoyl-CoA", "names": [ "(11Z,14Z)-Icosadienoyl-CoA" ] }, { "compound_id": "C16181", "inchi": "InChI=1S/C6H7Cl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,12H/t1-,2-,3+,4+,5-,6-", "name": "beta-2,3,4,5,6-Pentachlorocyclohexanol", "names": [ "beta-2,3,4,5,6-Pentachlorocyclohexanol" ] }, { "compound_id": "C16182", "inchi": "InChI=1S/C6H8Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h1-6,11-12H/t1-,2-,3+,4+,5+,6+", "name": "beta-2,3,5,6-Tetrachloro-1,4-cyclohexanediol", "names": [ "beta-2,3,5,6-Tetrachloro-1,4-cyclohexanediol" ] }, { "compound_id": "C16184", "inchi": "InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-", "name": "(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid ethyl ester", "names": [ "(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid ethyl ester", "EPA ethyl ester" ] }, { "compound_id": "C16185", "inchi": "InChI=1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-", "name": "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester", "names": [ "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester", "DHA ethyl ester" ] }, { "compound_id": "C16186", "inchi": "InChI=1S/C6H9O9P/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5/h2,5,7-9H,1H2,(H2,11,12,13)/t2-,5+/m0/s1", "name": "L-Ascorbate 6-phosphate", "names": [ "L-Ascorbate 6-phosphate" ] }, { "compound_id": "C16187", "inchi": "InChI=1S/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3/t13-,16?/m0/s1", "name": "7,2'-Dihydroxy-4'-methoxy-isoflavanol", "names": [ "7,2'-Dihydroxy-4'-methoxy-isoflavanol", "DMI" ] }, { "compound_id": "C16188", "inchi": "InChI=1S/C18H16O6/c1-21-14-8-17(23-3)16(22-2)7-12(14)13-9-24-15-6-10(19)4-5-11(15)18(13)20/h4-9,19H,1-3H3", "name": "7-Hydroxy-2',4',5'-trimethoxyisoflavone", "names": [ "7-Hydroxy-2',4',5'-trimethoxyisoflavone" ] }, { "compound_id": "C16189", "inchi": "InChI=1S/C18H16O6/c1-21-14-6-11-12(7-15(14)22-2)23-8-16-17(11)18(20)10-4-3-9(19)5-13(10)24-16/h3-7,16-17,19H,8H2,1-2H3", "name": "9-Demethylmunduserone", "names": [ "9-Demethylmunduserone" ] }, { "compound_id": "C16190", "inchi": "InChI=1S/C16H14O5/c1-20-11-5-2-9(3-6-11)14-15(18)12-7-4-10(17)8-13(12)21-16(14)19/h2-8,14,16-17,19H,1H3", "name": "2,7-Dihydroxy-4'-methoxyisoflavanone", "names": [ "2,7-Dihydroxy-4'-methoxyisoflavanone" ] }, { "compound_id": "C16191", "inchi": "InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/t17-,21-,22+,23-,24-/m1/s1", "name": "Malonyldaidzin", "names": [ "Malonyldaidzin" ] }, { "compound_id": "C16192", "inchi": "InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21-,22+,23-,24-/m1/s1", "name": "Malonylgenistin", "names": [ "Malonylgenistin" ] }, { "compound_id": "C16193", "inchi": "InChI=1S/C10H8O6S2/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)", "name": "1,6-Naphthalenedisulfonic acid", "names": [ "1,6-Naphthalenedisulfonic acid" ] }, { "compound_id": "C16194", "inchi": "InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)", "name": "2,6-Naphthalenedisulfonic acid", "names": [ "2,6-Naphthalenedisulfonic acid" ] }, { "compound_id": "C16195", "inchi": "InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1", "name": "Glycitin", "names": [ "Glycitein 7-O-glucoside", "Glycitin" ] }, { "compound_id": "C16196", "inchi": "InChI=1S/C10H8O5S/c11-9-4-1-6-5-7(16(13,14)15)2-3-8(6)10(9)12/h1-5,11-12H,(H,13,14,15)", "name": "1,2-Dihydroxynaphthalene-6-sulfonate", "names": [ "1,2-Dihydroxynaphthalene-6-sulfonate" ] }, { "compound_id": "C16197", "inchi": "InChI=1S/C25H24O13/c1-34-16-6-13-15(35-9-14(21(13)30)11-2-4-12(26)5-3-11)7-17(16)37-25-24(33)23(32)22(31)18(38-25)10-36-20(29)8-19(27)28/h2-7,9,18,22-26,31-33H,8,10H2,1H3,(H,27,28)/t18-,22-,23+,24-,25-/m1/s1", "name": "Malonylglycitin", "names": [ "Malonylglycitin" ] }, { "compound_id": "C16198", "inchi": "InChI=1S/C10H8O7S/c11-8-4-2-7(18(15,16)17)5-6(8)1-3-9(12)10(13)14/h1-5,11H,(H,13,14)(H,15,16,17)/b3-1-", "name": "(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate", "names": [ "(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate" ] }, { "compound_id": "C16199", "inchi": "InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)", "name": "5-Sulfosalicylate", "names": [ "5-Sulfosalicylate", "Sulfosalicylic acid" ] }, { "compound_id": "C16200", "inchi": "InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H", "name": "Phenylboronic acid", "names": [ "Benzeneboronic acid", "Phenylboronic acid" ] }, { "compound_id": "C16201", "inchi": "InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)", "name": "1-Naphthalenesulfonic acid", "names": [ "1-Naphthalenesulfonic acid", "Naphthalene-1-sulfonate" ] }, { "compound_id": "C16202", "inchi": "InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)", "name": "2-Naphthalenesulfonic acid", "names": [ "2-Naphthalenesulfonic acid", "Naphthalene-2-sulfonate" ] }, { "compound_id": "C16203", "inchi": "InChI=1S/C14H12O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-8,13-16H/t13-,14+/m0/s1", "name": "Anthracene cis-1,2-dihydrodiol", "names": [ "Anthracene cis-1,2-dihydrodiol", "cis-1,2-Anthracenediol" ] }, { "compound_id": "C16204", "inchi": "InChI=1S/C14H10O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-8,15-16H", "name": "1,2-Anthracenediol", "names": [ "1,2-Anthracenediol" ] }, { "compound_id": "C16205", "inchi": "InChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,13-16H", "name": "Anthracene-9,10-dihydrodiol", "names": [ "Anthracene-9,10-dihydrodiol" ] }, { "compound_id": "C16206", "inchi": "InChI=1S/C14H10O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H", "name": "9,10-Dihydroxyanthracene", "names": [ "9,10-Anthracenediol", "9,10-Dihydroxyanthracene" ] }, { "compound_id": "C16207", "inchi": "InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H", "name": "Anthraquinone", "names": [ "9,10-Anthraquinone", "Anthraquinone" ] }, { "compound_id": "C16208", "inchi": "InChI=1S/C15H12O2/c1-17-15-13-9-11-5-3-2-4-10(11)8-12(13)6-7-14(15)16/h2-9,16H,1H3", "name": "1-Methoxy-2-hydroxyanthracene", "names": [ "1-Methoxy-2-hydroxyanthracene" ] }, { "compound_id": "C16209", "inchi": "InChI=1S/C14H10O4/c15-13(16)6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(17)18/h1-8H,(H,15,16)(H,17,18)/b6-5+", "name": "3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid", "names": [ "3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid" ] }, { "compound_id": "C16210", "inchi": "InChI=1S/C14H10O4/c15-12(14(17)18)6-5-11-7-9-3-1-2-4-10(9)8-13(11)16/h1-8,16H,(H,17,18)/b6-5+", "name": "4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid", "names": [ "4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid" ] }, { "compound_id": "C16211", "inchi": "InChI=1S/C13H8O2/c14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)15-13/h1-8H", "name": "6,7-Benzocoumarin", "names": [ "6,7-Benzocoumarin" ] }, { "compound_id": "C16212", "inchi": "InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)", "name": "3-Hydroxy-2-naphthoate", "names": [ "3-Hydroxy-2-naphthoate" ] }, { "compound_id": "C16213", "inchi": "InChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H", "name": "2,3-Dihydroxynaphthalene", "names": [ "2,3-Dihydroxynaphthalene" ] }, { "compound_id": "C16214", "inchi": "InChI=1S/C11H8O5/c12-9(11(15)16)5-7-3-1-2-4-8(7)6-10(13)14/h1-6H,(H,13,14)(H,15,16)/b7-5+,8-6-", "name": "3-[6-(Carboxymethylene)cyclohexa-2,4-dien-1-ylidene]-2-oxopropanate", "names": [ "3-[6-(Carboxymethylene)cyclohexa-2,4-dien-1-ylidene]-2-oxopropanate" ] }, { "compound_id": "C16215", "inchi": "InChI=1S/C8H8O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-6H,(H,9,10)(H,11,12)", "name": "1,2-Dihydrophthalic acid", "names": [ "1,2-Dihydrophthalic acid", "Cyclohexa-3,5-diene-1,2-dicarboxylate" ] }, { "compound_id": "C16216", "inchi": "InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-26,28,32-34,38,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t28-,32-,33-,34?,38-/m1/s1", "name": "3-Oxostearoyl-CoA", "names": [ "3-Ketostearoyl-CoA", "3-Oxooctadecanoyl-CoA", "3-Oxostearoyl-CoA", "beta-Ketostearoyl-CoA" ] }, { "compound_id": "C16217", "inchi": "InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t27?,28-,32-,33-,34?,38-/m1/s1", "name": "3-Hydroxyoctadecanoyl-CoA", "names": [ "3-Hydroxyoctadecanoyl-CoA", "3-Hydroxystearoyl-CoA", "beta-Hydroxystearoyl-CoA" ] }, { "compound_id": "C16218", "inchi": "InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b19-18+/t28-,32-,33-,34?,38-/m1/s1", "name": "(2E)-Octadecenoyl-CoA", "names": [ "(2E)-Octadecenoyl-CoA", "trans-Octadec-2-enoyl-CoA" ] }, { "compound_id": "C16219", "inchi": null, "name": "3-Oxostearoyl-[acp]", "names": [ "3-Ketostearoyl-[acp]", "3-Oxooctadecanoyl-[acp]", "3-Oxostearoyl-[acp]", "beta-Ketostearoyl-[acp]" ] }, { "compound_id": "C16220", "inchi": null, "name": "3-Hydroxyoctadecanoyl-[acp]", "names": [ "3-Hydroxyoctadecanoyl-[acp]", "3-Hydroxystearoyl-[acp]" ] }, { "compound_id": "C16221", "inchi": null, "name": "(2E)-Octadecenoyl-[acp]", "names": [ "(2E)-Octadecenoyl-[acp]", "trans-Octadec-2-enoyl-[acp]" ] }, { "compound_id": "C16222", "inchi": "InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18-,22-,23+,24-,25-/m1/s1", "name": "Formononetin 7-O-glucoside-6''-O-malonate", "names": [ "Formononetin 7-O-glucoside-6''-O-malonate" ] }, { "compound_id": "C16223", "inchi": "InChI=1S/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3/t14-,17+,18+,19-,20+,21-,22+/m0/s1", "name": "(-)-Medicocarpin", "names": [ "(-)-Medicocarpin", "Medicarpin 3-O-glucoside" ] }, { "compound_id": "C16224", "inchi": "InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)/t15-,18+,21+,22-,23+,24-,25+/m0/s1", "name": "Medicarpin 3-O-glucoside-6'-malonate", "names": [ "Medicarpin 3-O-glucoside-6'-malonate" ] }, { "compound_id": "C16225", "inchi": "InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m0/s1", "name": "(-)-Vestitol", "names": [ "(-)-Vestitol" ] }, { "compound_id": "C16226", "inchi": "InChI=1S/C16H10O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-6,17-18H,7H2", "name": "2',7-Dihydroxy-4',5'-methylenedioxyisoflavone", "names": [ "2',7-Dihydroxy-4',5'-methylenedioxyisoflavone", "DMI" ] }, { "compound_id": "C16227", "inchi": "InChI=1S/C16H12O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-5,11,17-18H,6-7H2/t11-/m1/s1", "name": "(+)-Sophorol", "names": [ "(+)-Sophorol" ] }, { "compound_id": "C16228", "inchi": "InChI=1S/C16H12O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-5,11,17-18H,6-7H2/t11-/m0/s1", "name": "(-)-Sophorol", "names": [ "(-)-Sophorol" ] }, { "compound_id": "C16229", "inchi": "InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m1/s1", "name": "(+)-Maackiain", "names": [ "(+)-Maackiain" ] }, { "compound_id": "C16230", "inchi": "InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m1/s1", "name": "(+)-6a-Hydroxymaackiain", "names": [ "(+)-6a-Hydroxymaackiain" ] }, { "compound_id": "C16231", "inchi": "InChI=1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)/t13-,18+,21+,22-,23+,24-,25+/m0/s1", "name": "(-)-Maackiain-3-O-glucosyl-6''-O-malonate", "names": [ "(-)-Maackiain-3-O-glucosyl-6''-O-malonate" ] }, { "compound_id": "C16232", "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)14-6-11(17)10-5-12(18)13(19)7-15(10)20-14/h1-5,7,14,16,18-19H,6H2", "name": "6,7,4'-Trihydroxyflavanone", "names": [ "6,7,4'-Trihydroxyflavanone" ] }, { "compound_id": "C16233", "inchi": "InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)13-14(19)9-5-10(17)11(18)6-12(9)21-15(13)20/h1-6,13,15-18,20H", "name": "2,6,7,4'-Tetrahydroxyisoflavanone", "names": [ "2,6,7,4'-Tetrahydroxyisoflavanone" ] }, { "compound_id": "C16234", "inchi": "InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)", "name": "o-Nitrobenzoate", "names": [ "2-Nitrobenzoic acid", "o-Nitrobenzoate" ] }, { "compound_id": "C16235", "inchi": "InChI=1S/C7H7NO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4,8,11H,(H,9,10)", "name": "o-Hydroxylaminobenzoate", "names": [ "2-Hydroxylaminobenzoic acid", "o-Hydroxylaminobenzoate" ] }, { "compound_id": "C16236", "inchi": null, "name": "Protein N6-(octanoyl)lysine", "names": [ "Protein N6-(octanoyl)lysine" ] }, { "compound_id": "C16237", "inchi": null, "name": "Protein N6-(lipoyl)lysine", "names": [ "Protein N6-(lipoyl)lysine" ] }, { "compound_id": "C16238", "inchi": "InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10?,11-,14-,15-,18-/m1/s1", "name": "Lipoyl-AMP", "names": [ "Lipoyl-AMP" ] }, { "compound_id": "C16239", "inchi": null, "name": "Lipoyl-[acp]", "names": [ "Lipoyl-ACP", "Lipoyl-[acp]", "Lipoyl-[acyl carrier protein]" ] }, { "compound_id": "C16240", "inchi": null, "name": "Apoprotein", "names": [ "Apoprotein" ] }, { "compound_id": "C16241", "inchi": "InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1", "name": "(R)-Lipoic acid", "names": [ "(R)-(+)-Lipoate", "(R)-Lipoic acid", "1,2-Dithiolane-3R-pentanoic acid", "R-(+)-Lipoic acid" ] }, { "compound_id": "C16242", "inchi": "InChI=1S/C45H54N4O16.Co/c1-21-45-40-26(15-37(60)61)41(2,13-12-35(56)57)30(47-40)16-27-22(6-9-32(50)51)25(14-36(58)59)44(5,48-27)18-29-23(7-10-33(52)53)42(3,19-38(62)63)31(46-29)17-28(49-45)24(8-11-34(54)55)43(45,4)20-39(64)65-21;/h16-17,21,24H,6-15,18-20H2,1-5H3,(H9,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/t21?,24-,41-,42+,43+,44+,45?;/m1./s1", "name": "Cobalt-precorrin 5A", "names": [ "Cobalt-precorrin 5A" ] }, { "compound_id": "C16243", "inchi": "InChI=1S/C43H52N4O16.Co/c1-40(12-11-33(54)55)24(14-35(58)59)38-39-42(3,19-37(62)63)21(6-9-31(50)51)26(45-39)16-29-41(2,18-36(60)61)22(7-10-32(52)53)27(44-29)17-43(4)23(13-34(56)57)20(5-8-30(48)49)25(47-43)15-28(40)46-38;/h15-16,21,24H,5-14,17-19H2,1-4H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/b39-38-;/t21-,24+,40-,41+,42+,43+;/m1./s1", "name": "Cobalt-precorrin 5B", "names": [ "Cobalt-precorrin 5B" ] }, { "compound_id": "C16244", "inchi": "InChI=1/C44H58N4O14.Co/c1-21-37-23(8-11-30(49)50)22(2)43(6,48-37)18-28-24(9-12-31(51)52)41(4,19-35(59)60)29(45-28)17-27-25(10-13-32(53)54)42(5,20-36(61)62)44(7,47-27)39-26(16-34(57)58)40(3,38(21)46-39)15-14-33(55)56;/h17,21,25-26,39H,8-16,18-20H2,1-7H3,(H8,45,47,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-1/t21?,25-,26+,39-,40-,41+,42+,43+,44+;/m1./s1/fC44H57N4O14.Co/h49,51,53,55,57,59,61H;/q-1;m/b27-17-;", "name": "Cobalt-precorrin 7", "names": [ "Cobalt-precorrin 7" ] }, { "compound_id": "C16245", "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1", "name": "D-Glucuronic acid", "names": [ "D-Glucuronic acid" ] }, { "compound_id": "C16246", "inchi": "InChI=1S/C7H5Br2NO2/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2,11H,(H2,10,12)", "name": "3,5-Dibromo-4-hydroxybenzamide", "names": [ "3,5-Dibromo-4-hydroxybenzamide" ] }, { "compound_id": "C16247", "inchi": "InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H", "name": "2,6-Dibromophenol", "names": [ "2,6-Dibromophenol" ] }, { "compound_id": "C16248", "inchi": "InChI=1S/C6H4Br2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H", "name": "2,6-Dibromohydroquinone", "names": [ "2,6-Dibromohydroquinone" ] }, { "compound_id": "C16249", "inchi": "InChI=1S/C6H5BrO5/c7-4(6(11)12)1-3(8)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)/b4-1+", "name": "2-Bromomaleylacetate", "names": [ "2-Bromomaleylacetate" ] }, { "compound_id": "C16250", "inchi": "InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)", "name": "MTIC", "names": [ "MTIC" ] }, { "compound_id": "C16251", "inchi": "InChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24?,25+,26+,27+,28-/m1/s1", "name": "3-epi-6-Deoxocathasterone", "names": [ "3-epi-6-Deoxocathasterone" ] }, { "compound_id": "C16252", "inchi": "InChI=1S/C28H48O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7,16-18,20-26,29-31H,8-15H2,1-6H3/t17-,18-,20-,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1", "name": "(22R,23R)-22,23-Dihydroxycampesterol", "names": [ "(22R,23R)-22,23-Dihydroxycampesterol" ] }, { "compound_id": "C16253", "inchi": "InChI=1S/C28H46O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h15-18,21-26,30-31H,7-14H2,1-6H3/t17-,18-,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1", "name": "(22R,23R)-22,23-Dihydroxy-campest-4-en-3-one", "names": [ "(22R,23R)-22,23-Dihydroxy-campest-4-en-3-one" ] }, { "compound_id": "C16254", "inchi": null, "name": "[Dihydrolipoyllysine-residue succinyltransferase] S-succinyldihydrolipoyllysine", "names": [ "S-Succinyldihydrolipoamide-E", "[Dihydrolipoyllysine-residue succinyltransferase] S-succinyldihydrolipoyllysine" ] }, { "compound_id": "C16255", "inchi": null, "name": "[Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine", "names": [ "S-Acetyldihydrolipoamide-E", "[Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine" ] }, { "compound_id": "C16256", "inchi": "InChI=1S/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-8+/t19-,23-,24-,25?,29-/m1/s1", "name": "(E)-Cinnamoyl-CoA", "names": [ "(E)-Cinnamoyl-CoA" ] }, { "compound_id": "C16257", "inchi": "InChI=1S/C30H44N7O18P3S/c1-30(2,24(41)27(42)33-9-8-20(39)32-10-11-59-29(43)18(38)12-17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-23(54-56(44,45)46)22(40)28(53-19)37-16-36-21-25(31)34-15-35-26(21)37/h3-7,15-16,18-19,22-24,28,38,40-41H,8-14H2,1-2H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t18-,19-,22-,23-,24?,28-/m1/s1", "name": "(R)-Phenyllactyl-CoA", "names": [ "(R)-Phenyllactyl-CoA" ] }, { "compound_id": "C16258", "inchi": "InChI=1S/C24H42O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-22,25-28H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1", "name": "Petromyzonol", "names": [ "5alpha-Cholan-3alpha,7alpha,12alpha,24-tetrol", "Petromyzonol" ] }, { "compound_id": "C16259", "inchi": "InChI=1S/C24H42O7S/c1-14(5-4-10-31-32(28,29)30)17-6-7-18-22-19(13-21(27)24(17,18)3)23(2)9-8-16(25)11-15(23)12-20(22)26/h14-22,25-27H,4-13H2,1-3H3,(H,28,29,30)/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1", "name": "Petromyzonol 24-sulfate", "names": [ "5alpha-Cholan-3alpha,7alpha,12alpha-triol 24-sulfate", "Petromyzonol 24-sulfate" ] }, { "compound_id": "C16260", "inchi": "InChI=1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1", "name": "Scymnol", "names": [ "5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol", "5beta-Scymnol", "Scymnol" ] }, { "compound_id": "C16261", "inchi": "InChI=1S/C27H48O9S/c1-15(4-7-22(30)16(13-28)14-36-37(33,34)35)19-5-6-20-25-21(12-24(32)27(19,20)3)26(2)9-8-18(29)10-17(26)11-23(25)31/h15-25,28-32H,4-14H2,1-3H3,(H,33,34,35)/t15-,16?,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1", "name": "5beta-Scymnol sulfate", "names": [ "5beta-Scymnol sulfate" ] }, { "compound_id": "C16262", "inchi": "InChI=1S/C13H10O3/c14-11-7-3-6-10-8-4-1-2-5-9(8)12(15)13(10,11)16/h1-7,11,14,16H/t11-,13+/m1/s1", "name": "1-Hydro-1,1a-dihydroxy-9-fluorenone", "names": [ "1-Hydro-1,1a-dihydroxy-9-fluorenone" ] }, { "compound_id": "C16263", "inchi": "InChI=1S/C13H10O4/c14-11-7-3-6-9(12(11)15)8-4-1-2-5-10(8)13(16)17/h1-7,14-15H,(H,16,17)", "name": "2,3-Dihydroxy-2'-carboxybiphenyl", "names": [ "2,3-Dihydroxy-2'-carboxybiphenyl" ] }, { "compound_id": "C16264", "inchi": "InChI=1S/C13H10O6/c14-10(6-3-7-11(15)13(18)19)8-4-1-2-5-9(8)12(16)17/h1-7,15H,(H,16,17)(H,18,19)/b6-3-,11-7+", "name": "2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate", "names": [ "2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate" ] }, { "compound_id": "C16265", "inchi": "InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8?/m1/s1", "name": "N-Acetylgalactosamine 4-sulfate", "names": [ "N-Acetylgalactosamine 4-sulfate" ] }, { "compound_id": "C16266", "inchi": "InChI=1S/C6H5ClO4/c7-4(2-1-3-8)5(9)6(10)11/h1-3,9H,(H,10,11)/b2-1-,5-4-", "name": "3-Chloro-2-hydroxymuconic semialdehyde", "names": [ "3-Chloro-2-hydroxymuconic semialdehyde" ] }, { "compound_id": "C16267", "inchi": "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)", "name": "Cyclopropanecarboxylate", "names": [ "Cyclopropanecarboxylate" ] }, { "compound_id": "C16268", "inchi": "InChI=1S/C25H40N7O17P3S/c1-25(2,19(35)22(36)28-6-5-15(33)27-7-8-53-24(37)13-3-4-13)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,3-10H2,1-2H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1", "name": "Cyclopropanecarboxyl-CoA", "names": [ "Cyclopropanecarboxyl-CoA" ] }, { "compound_id": "C16269", "inchi": "InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1", "name": "(+)-epi-Isozizaene", "names": [ "(+)-epi-Isozizaene" ] }, { "compound_id": "C16270", "inchi": "InChI=1S/C40H56O2/c1-33(2)18-12-20-35(4)22-14-24-36(5)23-13-21-34(3)19-10-11-29-39(32-41)30-16-27-37(6)25-15-26-38(7)28-17-31-40(8,9)42/h10-11,13-16,18-19,21-27,29-30,32,42H,12,17,20,28,31H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,34-19+,35-22+,36-23+,37-27+,38-26+,39-29+", "name": "Rhodopinal", "names": [ "Rhodopinal" ] }, { "compound_id": "C16271", "inchi": "InChI=1S/C46H66O7/c1-34(2)18-12-20-36(4)22-14-24-37(5)23-13-21-35(3)19-10-11-29-40(32-47)30-16-27-38(6)25-15-26-39(7)28-17-31-46(8,9)53-45-44(51)43(50)42(49)41(33-48)52-45/h10-11,13-16,18-19,21-27,29-30,32,41-45,48-51H,12,17,20,28,31,33H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,35-19+,36-22+,37-23+,38-27+,39-26+,40-29+/t41-,42-,43+,44-,45+/m1/s1", "name": "Rhodopinal glucoside", "names": [ "Rhodopinal glucoside" ] }, { "compound_id": "C16272", "inchi": "InChI=1S/C6H10O4/c1-4(7)2-5(8)3-6(9)10/h5,8H,2-3H2,1H3,(H,9,10)", "name": "3-Hydroxy-5-oxohexanoate", "names": [ "3-Hydroxy-5-oxohexanoate" ] }, { "compound_id": "C16273", "inchi": "InChI=1S/C27H44N7O19P3S/c1-14(35)8-15(36)9-18(38)57-7-6-29-17(37)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-16-21(52-54(42,43)44)20(39)26(51-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15-16,20-22,26,36,39-40H,4-11H2,1-3H3,(H,29,37)(H,30,41)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15?,16-,20-,21-,22?,26-/m1/s1", "name": "3-Hydroxy-5-oxohexanoyl-CoA", "names": [ "3-Hydroxy-5-oxohexanoyl-CoA" ] }, { "compound_id": "C16274", "inchi": "InChI=1S/C40H56O4/c1-31(19-13-21-33(3)23-15-25-35(5)27-29-37(41)39(7,8)43)17-11-12-18-32(2)20-14-22-34(4)24-16-26-36(6)28-30-38(42)40(9,10)44/h11-30,37-38,41-44H,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,29-27+,30-28+,31-17+,32-18+,33-21+,34-22+,35-25+,36-26+/t37-,38-/m0/s1", "name": "(2S,2'S)-Oscillol", "names": [ "(2S,2'S)-Oscillol" ] }, { "compound_id": "C16275", "inchi": "InChI=1S/C52H76O12/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-41(51(9,10)59)63-49-47(57)45(55)43(53)39(7)61-49)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-42(52(11,12)60)64-50-48(58)46(56)44(54)40(8)62-50/h13-32,39-50,53-60H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+/t39-,40-,41?,42?,43+,44+,45+,46+,47-,48-,49?,50?/m0/s1", "name": "(2S,2'S)-Oscillol 2,2'-di(alpha-L-fucoside)", "names": [ "(2S,2'S)-Oscillol 2,2'-di(alpha-L-fucoside)" ] }, { "compound_id": "C16276", "inchi": "InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28,37-38H,15-16,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+", "name": "epsilon-Carotene", "names": [ "epsilon-Carotene" ] }, { "compound_id": "C16277", "inchi": "InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-27-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-28-38(7)29-18-30-39(8)40(42)31-32-41(9,10)43-11/h12-13,15-21,23-30H,14,22,31-32H2,1-11H3/b13-12+,23-15+,24-16+,27-17+,29-18+,34-20+,35-21+,36-25+,37-26+,38-28+,39-30+", "name": "R.g.-Keto I", "names": [ "R.g.-Keto I" ] }, { "compound_id": "C16278", "inchi": "InChI=1S/C42H60O4/c1-33(21-15-23-35(3)25-17-27-37(5)39(43)29-31-41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)40(44)30-32-42(9,10)46-12/h13-28H,29-32H2,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+", "name": "R.g.-Keto III", "names": [ "R.g.-Keto III" ] }, { "compound_id": "C16279", "inchi": "InChI=1S/C41H58O2/c1-32(20-14-22-34(3)24-16-25-37(6)39(42)29-31-41(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)27-28-38-36(5)26-17-30-40(38,7)8/h12-16,18-25,27-28H,17,26,29-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,28-27+,32-18+,33-19+,34-22+,35-23+,37-25+", "name": "Thiothece-474", "names": [ "Thiothece-474" ] }, { "compound_id": "C16280", "inchi": "InChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22+,36-24+", "name": "Okenone", "names": [ "Okenone" ] }, { "compound_id": "C16281", "inchi": "InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)", "name": "Thiobenzamide", "names": [ "Thiobenzamide" ] }, { "compound_id": "C16282", "inchi": "InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)27-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)26-37(42)38(43)40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-,38+/m1/s1", "name": "Caloxanthin", "names": [ "Caloxanthin" ] }, { "compound_id": "C16283", "inchi": "InChI=1S/C7H7NOS/c8-7(10-9)6-4-2-1-3-5-6/h1-5H,8H2", "name": "Thiobenzamide S-oxide", "names": [ "Thiobenzamide S-oxide" ] }, { "compound_id": "C16284", "inchi": "InChI=1S/C40H56O4/c1-27(17-13-19-29(3)21-23-33-31(5)25-35(41)37(43)39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)26-36(42)38(44)40(34,9)10/h11-24,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+,38+/m1/s1", "name": "Nostoxanthin", "names": [ "Nostoxanthin" ] }, { "compound_id": "C16285", "inchi": "InChI=1S/C7H7NO2S/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,8H,(H,9,10)", "name": "Thiobenzamide S,S-dioxide", "names": [ "Thiobenzamide S,S-dioxide" ] }, { "compound_id": "C16286", "inchi": "InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1", "name": "Geosmin", "names": [ "(-)-Geosmin", "Geosmin", "trans-1,10-Dimethyl-trans-9-decalol" ] }, { "compound_id": "C16287", "inchi": "InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5-,6+,7?/m1/s1", "name": "D-Thevetose", "names": [ "D-Thevetose" ] }, { "compound_id": "C16288", "inchi": "InChI=1S/C27H24O16/c28-12-3-1-11(2-4-12)25-17(7-14-15(30)5-13(29)6-16(14)40-25)41-27-24(38)26(43-22(36)9-20(33)34)23(37)18(42-27)10-39-21(35)8-19(31)32/h1-7,18,23-24,26-27,37-38H,8-10H2,(H4-,28,29,30,31,32,33,34)/p+1/t18-,23-,24-,26+,27-/m1/s1", "name": "Pelargonidin 3-O-3'',6''-O-dimalonylglucoside", "names": [ "Pelargonidin 3-O-3'',6''-O-dimalonylglucoside" ] }, { "compound_id": "C16289", "inchi": "InChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1", "name": "Cyanidin 3-O-3'',6''-O-dimalonylglucoside", "names": [ "Cyanidin 3-O-3'',6''-O-dimalonylglucoside" ] }, { "compound_id": "C16290", "inchi": "InChI=1S/C27H24O18/c28-10-3-12(29)11-5-16(25(42-15(11)4-10)9-1-13(30)22(38)14(31)2-9)43-27-24(40)26(45-21(37)7-19(34)35)23(39)17(44-27)8-41-20(36)6-18(32)33/h1-5,17,23-24,26-27,39-40H,6-8H2,(H6-,28,29,30,31,32,33,34,35,38)/p+1/t17-,23-,24-,26+,27-/m1/s1", "name": "Delphinidin 3-O-3'',6''-O-dimalonylglucoside", "names": [ "Delphinidin 3-O-3'',6''-O-dimalonylglucoside" ] }, { "compound_id": "C16291", "inchi": "InChI=1S/C40H58/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25,27H,15-16,23-24,26,28-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,31-17+,32-18+,33-21+,34-22+", "name": "7,8-Dihydro-beta-carotene", "names": [ "7,8-Dihydro-beta-carotene" ] }, { "compound_id": "C16292", "inchi": "InChI=1S/C42H46O22/c1-16-38(64-29(48)9-4-17-2-6-19(44)7-3-17)34(53)37(56)40(58-16)57-15-28-31(50)33(52)36(55)42(63-28)61-26-13-21-24(59-39(26)18-5-8-22(46)23(47)10-18)11-20(45)12-25(21)60-41-35(54)32(51)30(49)27(14-43)62-41/h2-13,16,27-28,30-38,40-43,49-56H,14-15H2,1H3,(H3-,44,45,46,47,48)/p+1/t16-,27+,28+,30+,31+,32-,33-,34-,35+,36+,37+,38-,40+,41+,42+/m0/s1", "name": "Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside", "names": [ "Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside" ] }, { "compound_id": "C16293", "inchi": "InChI=1S/C43H48O22/c1-17-39(65-30(48)10-5-18-3-7-20(45)8-4-18)35(53)38(56)41(59-17)58-16-29-32(50)34(52)37(55)43(64-29)62-27-14-22-24(60-40(27)19-6-9-23(47)26(11-19)57-2)12-21(46)13-25(22)61-42-36(54)33(51)31(49)28(15-44)63-42/h3-14,17,28-29,31-39,41-44,49-56H,15-16H2,1-2H3,(H2-,45,46,47,48)/p+1/t17-,28+,29+,31+,32+,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+/m0/s1", "name": "Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside", "names": [ "Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside" ] }, { "compound_id": "C16294", "inchi": "InChI=1S/C42H46O23/c1-15-38(65-28(48)7-4-16-2-5-18(44)6-3-16)34(54)37(57)40(59-15)58-14-27-31(51)33(53)36(56)42(64-27)62-25-12-20-23(60-39(25)17-8-21(46)29(49)22(47)9-17)10-19(45)11-24(20)61-41-35(55)32(52)30(50)26(13-43)63-41/h2-12,15,26-27,30-38,40-43,50-57H,13-14H2,1H3,(H4-,44,45,46,47,48,49)/p+1/t15-,26+,27+,30+,31+,32-,33-,34-,35+,36+,37+,38-,40+,41+,42+/m0/s1", "name": "Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside", "names": [ "Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside" ] }, { "compound_id": "C16295", "inchi": "InChI=1S/C43H48O23/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49)/p+1/t16-,27+,28+,31+,32+,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+/m0/s1", "name": "Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside", "names": [ "Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside" ] }, { "compound_id": "C16296", "inchi": "InChI=1S/C44H50O23/c1-17-40(67-30(48)9-6-18-4-7-20(46)8-5-18)36(54)39(57)42(61-17)60-16-29-33(51)35(53)38(56)44(66-29)64-27-14-22-23(62-41(27)19-10-25(58-2)31(49)26(11-19)59-3)12-21(47)13-24(22)63-43-37(55)34(52)32(50)28(15-45)65-43/h4-14,17,28-29,32-40,42-45,50-57H,15-16H2,1-3H3,(H2-,46,47,48,49)/p+1/t17-,28+,29+,32+,33+,34-,35-,36-,37+,38+,39+,40-,42+,43+,44+/m0/s1", "name": "Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside", "names": [ "Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside" ] }, { "compound_id": "C16297", "inchi": "InChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)29-23(12-18-20(34)10-17(32)11-22(18)41-29)42-30-28(39)27(38)26(37)24(43-30)13-40-25(36)8-2-14-1-7-19(33)21(35)9-14/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1", "name": "Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)", "names": [ "Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)" ] }, { "compound_id": "C16298", "inchi": "InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1", "name": "Cyanidin 5-O-glucoside", "names": [ "Cyanidin 5-O-glucoside" ] }, { "compound_id": "C16299", "inchi": "InChI=1S/C39H38O21/c40-18-5-1-16(2-6-18)3-8-29(46)54-14-26-31(48)34(51)36(53)39(60-26)58-25-12-20-23(56-37(25)17-4-7-21(42)22(43)9-17)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1", "name": "Malonylshisonin", "names": [ "Malonylshisonin" ] }, { "compound_id": "C16300", "inchi": "InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-", "name": "Stearidonic acid", "names": [ "(6Z,9Z,12Z,15Z)-Octadecatetraenoic acid", "6,9,12,15-Octadecatetraenoic acid", "Stearidonic acid" ] }, { "compound_id": "C16301", "inchi": "InChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p+1/t16-,20-,21+,22-,24-/m1/s1", "name": "Delphinidin 3-O-(6''-O-malonyl-beta-D-glucoside)", "names": [ "Delphinidin 3-O-(6''-O-malonyl-beta-D-glucoside)" ] }, { "compound_id": "C16302", "inchi": "InChI=1S/C96H106O53/c97-31-54-68(109)75(116)82(123)90(143-54)135-44-13-1-38(2-14-44)9-21-62(103)130-33-56-70(111)77(118)84(125)92(145-56)137-46-17-5-40(6-18-46)11-23-64(105)132-35-58-72(113)79(120)86(127)94(147-58)140-51-25-42(89-53(29-48-49(100)27-43(99)28-50(48)139-89)142-96-88(129)81(122)74(115)60(149-96)37-134-66(107)30-61(101)102)26-52(67(51)108)141-95-87(128)80(121)73(114)59(148-95)36-133-65(106)24-12-41-7-19-47(20-8-41)138-93-85(126)78(119)71(112)57(146-93)34-131-63(104)22-10-39-3-15-45(16-4-39)136-91-83(124)76(117)69(110)55(32-98)144-91/h1-29,54-60,68-88,90-98,109-129H,30-37H2,(H3-,99,100,101,102,108)/p+1/b21-9+,22-10+,23-11+,24-12+/t54-,55-,56-,57-,58-,59-,60-,68-,69-,70-,71-,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,82-,83-,84-,85-,86-,87-,88-,90-,91-,92-,93-,94-,95-,96-/m1/s1", "name": "Ternatin A1", "names": [ "Ternatin A1" ] }, { "compound_id": "C16303", "inchi": "InChI=1S/C36H42O25/c37-7-18-24(45)27(48)30(51)34(59-18)56-15-1-10(2-16(23(15)44)57-35-31(52)28(49)25(46)19(8-38)60-35)33-17(5-12-13(40)3-11(39)4-14(12)55-33)58-36-32(53)29(50)26(47)20(61-36)9-54-22(43)6-21(41)42/h1-5,18-20,24-32,34-38,45-53H,6-9H2,(H3-,39,40,41,42,44)/p+1/t18-,19-,20-,24-,25-,26-,27+,28+,29+,30-,31-,32-,34-,35-,36-/m1/s1", "name": "Ternatin C5", "names": [ "Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3',5'-di-O-beta-D-glucoside", "Ternatin C5" ] }, { "compound_id": "C16304", "inchi": "InChI=1S/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-2-9(1-13(34)21(15)38)28-16(5-11-12(33)3-10(32)4-14(11)46-28)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p+1/t17-,18-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1", "name": "Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside", "names": [ "Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside", "Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside" ] }, { "compound_id": "C16305", "inchi": "InChI=1S/C27H30O15/c28-8-17-19(33)21(35)23(37)26(40-17)42-25-22(36)20(34)18(9-29)41-27(25)39-16-7-13-14(32)5-12(31)6-15(13)38-24(16)10-1-3-11(30)4-2-10/h1-7,17-23,25-29,33-37H,8-9H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,25?,26?,27-/m1/s1", "name": "Pelargonidin 3-O-sophoroside", "names": [ "Pelargonidin 3-O-sophoroside" ] }, { "compound_id": "C16306", "inchi": "InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22+,23-,25?,26?,27-/m1/s1", "name": "Cyanidin 3-O-sophoroside", "names": [ "Cyanidin 3-O-sophoroside" ] }, { "compound_id": "C16307", "inchi": "InChI=1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/p+1/t16-,17-,19-,20-,21+,22+,23-,25?,26?,27-/m1/s1", "name": "Delphinidin 3-O-sophoroside", "names": [ "Delphinidin 3-O-sophoroside" ] }, { "compound_id": "C16308", "inchi": "InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+", "name": "Traumatic acid", "names": [ "(2E)-Dodecenedioic acid", "Dodec-2-enedioic acid", "Traumatic acid" ] }, { "compound_id": "C16309", "inchi": "InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,11H,1-6,8,10H2,(H,14,15)/b9-7+", "name": "Traumatin", "names": [ "(10E)-12-Oxododecenoic acid", "Traumatin" ] }, { "compound_id": "C16310", "inchi": "InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-", "name": "3-Hexenal", "names": [ "(3Z)-Hexenal", "3-Hexenal", "cis-3-hexenal" ] }, { "compound_id": "C16311", "inchi": "InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,11H,1-4,6,8-10H2,(H,14,15)/b7-5-", "name": "12-Oxo-9(Z)-dodecenoic acid", "names": [ "12-Oxo-9(Z)-dodecenoic acid" ] }, { "compound_id": "C16312", "inchi": "InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1", "name": "Delphin", "names": [ "Delphin", "Delphinidin 3,5-diglucoside" ] }, { "compound_id": "C16313", "inchi": "InChI=1S/C36H36O20/c37-11-24-28(45)30(47)32(49)36(55-24)54-23-10-16-21(52-34(23)14-6-19(41)27(44)20(42)7-14)8-15(38)9-22(16)53-35-33(50)31(48)29(46)25(56-35)12-51-26(43)4-2-13-1-3-17(39)18(40)5-13/h1-10,24-25,28-33,35-37,45-50H,11-12H2,(H5-,38,39,40,41,42,43,44)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", "name": "Delphinidin 3-glucoside 5-caffoyl-glucoside", "names": [ "Delphinidin 3-glucoside 5-caffoyl-glucoside" ] }, { "compound_id": "C16314", "inchi": "InChI=1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-4-10(37)3-13-11(14)5-16(52-33-29(48)26(45)23(42)19(8-36)55-33)30(49-13)9-1-12(38)20(39)15(2-9)51-32-28(47)25(44)22(41)18(7-35)54-32/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/p+1/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1", "name": "Delphinidin 3,5,3'-triglucoside", "names": [ "Delphinidin 3,5,3'-triglucoside" ] }, { "compound_id": "C16315", "inchi": "InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1", "name": "Tulipanin", "names": [ "Delphinidin 3-O-rutinoside", "Tulipanin" ] }, { "compound_id": "C16316", "inchi": "InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1", "name": "13(S)-HOT", "names": [ "(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid", "(9Z,11E,15Z)-(13S)-13-Hydroxyoctadeca-9,11,15-trienoic acid", "(9Z,11E,15Z)-(13S)-Hydroxyoctadeca-9,11,15-trienoate", "13(S)-HOT", "13(S)-HOTrE" ] }, { "compound_id": "C16317", "inchi": "InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m1/s1", "name": "(+)-7-Isojasmonic acid", "names": [ "(+)-7-Isojasmonic acid" ] }, { "compound_id": "C16318", "inchi": "InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11+/m1/s1", "name": "(+)-7-Isomethyljasmonate", "names": [ "(+)-7-Isomethyljasmonate" ] }, { "compound_id": "C16319", "inchi": "InChI=1S/C18H28O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h3-4,9,11,13-14,16-17H,2,5-8,10,12,15H2,1H3,(H,19,20)/b4-3-,11-9-,16-13+,17-14+", "name": "Etherolenic acid", "names": [ "(9Z,11E,1'E,3'Z)-12-(1',3'-Hexadienyloxy)-9,11-dodecadienoic acid", "Etherolenic acid" ] }, { "compound_id": "C16320", "inchi": "InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+", "name": "Colnelenic acid", "names": [ "Colnelenic acid" ] }, { "compound_id": "C16321", "inchi": "InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+/t17-/m1/s1", "name": "9(S)-HPOT", "names": [ "(10E,12Z,15Z)-(9S)-9-Hydroperoxyoctadeca-10,12,15-trienoic acid", "9(S)-HPOT", "9(S)-HpOTrE" ] }, { "compound_id": "C16322", "inchi": "InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)", "name": "9-Oxononanoic acid", "names": [ "9-Oxononanoic acid" ] }, { "compound_id": "C16323", "inchi": "InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3-,7-6-", "name": "3,6-Nonadienal", "names": [ "3,6-Nonadienal" ] }, { "compound_id": "C16324", "inchi": "InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13,17H,2,5-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13-", "name": "9,10-EOT", "names": [ "(9S)-(10E,12Z,15Z)-9,10-Epoxyoctadecatri-10,12,15-enoic acid", "9,10-EOT", "9,10-EOTrE", "9,10-Epoxyoctadecatrienoic acid" ] }, { "compound_id": "C16325", "inchi": "InChI=1S/C18H28O3/c1-2-3-7-10-15-13-14-17(19)16(15)11-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1", "name": "10-OPDA", "names": [ "(11Z,15Z)-10-Oxo-11,15-phytodienoic acid", "10-OPDA", "10-Oxo-11,15-phytodienoic acid" ] }, { "compound_id": "C16326", "inchi": "InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1", "name": "9(S)-HOT", "names": [ "(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid", "9(S)-HOT", "9(S)-HOTrE" ] }, { "compound_id": "C16327", "inchi": "InChI=1S/C39H64N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,23-26,28,32-34,38,50-51H,4,6-8,10-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b9-5-/t25-,26-,28+,32+,33+,34?,38+/m0/s1", "name": "OPC8-CoA", "names": [ "OPC8-CoA" ] }, { "compound_id": "C16328", "inchi": "InChI=1S/C39H62N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,11,14,23-26,28,32-34,38,50-51H,4,6-8,10,12-13,15-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b9-5-,14-11+/t25-,26-,28+,32+,33+,34?,38+/m0/s1", "name": "trans-2-Enoyl-OPC8-CoA", "names": [ "trans-2-Enoyl-OPC8-CoA" ] }, { "compound_id": "C16329", "inchi": "InChI=1S/C39H64N7O19P3S/c1-4-5-7-12-26-24(13-14-27(26)48)10-8-6-9-11-25(47)19-30(50)69-18-17-41-29(49)15-16-42-37(53)34(52)39(2,3)21-62-68(59,60)65-67(57,58)61-20-28-33(64-66(54,55)56)32(51)38(63-28)46-23-45-31-35(40)43-22-44-36(31)46/h5,7,22-26,28,32-34,38,47,51-52H,4,6,8-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b7-5-/t24-,25?,26-,28+,32+,33+,34?,38+/m0/s1", "name": "3-Hydroxy-OPC8-CoA", "names": [ "3-Hydroxy-OPC8-CoA" ] }, { "compound_id": "C16330", "inchi": "InChI=1S/C39H62N7O19P3S/c1-4-5-7-12-26-24(13-14-27(26)48)10-8-6-9-11-25(47)19-30(50)69-18-17-41-29(49)15-16-42-37(53)34(52)39(2,3)21-62-68(59,60)65-67(57,58)61-20-28-33(64-66(54,55)56)32(51)38(63-28)46-23-45-31-35(40)43-22-44-36(31)46/h5,7,22-24,26,28,32-34,38,51-52H,4,6,8-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b7-5-/t24-,26-,28+,32+,33+,34?,38+/m0/s1", "name": "3-Oxo-OPC8-CoA", "names": [ "3-Oxo-OPC8-CoA" ] }, { "compound_id": "C16331", "inchi": "InChI=1S/C37H60N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,21-24,26,30-32,36,48-49H,4,6,8-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-/t23-,24-,26+,30+,31+,32?,36+/m0/s1", "name": "OPC6-CoA", "names": [ "OPC6-CoA" ] }, { "compound_id": "C16332", "inchi": "InChI=1S/C37H58N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,9,12,21-24,26,30-32,36,48-49H,4,6,8,10-11,13-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-,12-9+/t23-,24-,26+,30+,31+,32?,36+/m0/s1", "name": "trans-2-Enoyl-OPC6-CoA", "names": [ "trans-2-Enoyl-OPC6-CoA" ] }, { "compound_id": "C16333", "inchi": "InChI=1S/C37H60N7O19P3S/c1-4-5-6-10-24-22(11-12-25(24)46)8-7-9-23(45)17-28(48)67-16-15-39-27(47)13-14-40-35(51)32(50)37(2,3)19-60-66(57,58)63-65(55,56)59-18-26-31(62-64(52,53)54)30(49)36(61-26)44-21-43-29-33(38)41-20-42-34(29)44/h5-6,20-24,26,30-32,36,45,49-50H,4,7-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b6-5-/t22-,23?,24-,26+,30+,31+,32?,36+/m0/s1", "name": "3-Hydroxy-OPC6-CoA", "names": [ "3-Hydroxy-OPC6-CoA" ] }, { "compound_id": "C16334", "inchi": "InChI=1S/C37H58N7O19P3S/c1-4-5-6-10-24-22(11-12-25(24)46)8-7-9-23(45)17-28(48)67-16-15-39-27(47)13-14-40-35(51)32(50)37(2,3)19-60-66(57,58)63-65(55,56)59-18-26-31(62-64(52,53)54)30(49)36(61-26)44-21-43-29-33(38)41-20-42-34(29)44/h5-6,20-22,24,26,30-32,36,49-50H,4,7-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b6-5-/t22-,24-,26+,30+,31+,32?,36+/m0/s1", "name": "3-Oxo-OPC6-CoA", "names": [ "3-Oxo-OPC6-CoA" ] }, { "compound_id": "C16335", "inchi": "InChI=1S/C35H56N7O18P3S/c1-4-5-6-9-22-21(11-12-23(22)43)8-7-10-26(45)64-16-15-37-25(44)13-14-38-33(48)30(47)35(2,3)18-57-63(54,55)60-62(52,53)56-17-24-29(59-61(49,50)51)28(46)34(58-24)42-20-41-27-31(36)39-19-40-32(27)42/h5-6,19-22,24,28-30,34,46-47H,4,7-18H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b6-5-/t21-,22-,24+,28+,29+,30?,34+/m0/s1", "name": "OPC4-CoA", "names": [ "OPC4-CoA" ] }, { "compound_id": "C16336", "inchi": "InChI=1S/C35H54N7O18P3S/c1-4-5-6-9-22-21(11-12-23(22)43)8-7-10-26(45)64-16-15-37-25(44)13-14-38-33(48)30(47)35(2,3)18-57-63(54,55)60-62(52,53)56-17-24-29(59-61(49,50)51)28(46)34(58-24)42-20-41-27-31(36)39-19-40-32(27)42/h5-7,10,19-22,24,28-30,34,46-47H,4,8-9,11-18H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b6-5-,10-7+/t21-,22-,24+,28+,29+,30?,34+/m0/s1", "name": "trans-2-Enoyl-OPC4-CoA", "names": [ "trans-2-Enoyl-OPC4-CoA" ] }, { "compound_id": "C16337", "inchi": "InChI=1S/C35H56N7O19P3S/c1-4-5-6-7-22-20(8-9-23(22)44)14-21(43)15-26(46)65-13-12-37-25(45)10-11-38-33(49)30(48)35(2,3)17-58-64(55,56)61-63(53,54)57-16-24-29(60-62(50,51)52)28(47)34(59-24)42-19-41-27-31(36)39-18-40-32(27)42/h5-6,18-22,24,28-30,34,43,47-48H,4,7-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/b6-5-/t20-,21-,22+,24-,28-,29-,30?,34-/m1/s1", "name": "3-Hydroxy-OPC4-CoA", "names": [ "3-Hydroxy-OPC4-CoA" ] }, { "compound_id": "C16338", "inchi": "InChI=1S/C35H54N7O19P3S/c1-4-5-6-7-22-20(8-9-23(22)44)14-21(43)15-26(46)65-13-12-37-25(45)10-11-38-33(49)30(48)35(2,3)17-58-64(55,56)61-63(53,54)57-16-24-29(60-62(50,51)52)28(47)34(59-24)42-19-41-27-31(36)39-18-40-32(27)42/h5-6,18-20,22,24,28-30,34,47-48H,4,7-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/b6-5-/t20-,22+,24-,28-,29-,30?,34-/m1/s1", "name": "3-Oxo-OPC4-CoA", "names": [ "3-Oxo-OPC4-CoA" ] }, { "compound_id": "C16339", "inchi": "InChI=1S/C33H52N7O18P3S/c1-4-5-6-7-20-19(8-9-21(20)41)14-24(43)62-13-12-35-23(42)10-11-36-31(46)28(45)33(2,3)16-55-61(52,53)58-60(50,51)54-15-22-27(57-59(47,48)49)26(44)32(56-22)40-18-39-25-29(34)37-17-38-30(25)40/h5-6,17-20,22,26-28,32,44-45H,4,7-16H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/b6-5-/t19-,20+,22-,26-,27-,28?,32-/m1/s1", "name": "(+)-7-Isojasmonic acid CoA", "names": [ "(+)-7-Isojasmonic acid CoA" ] }, { "compound_id": "C16340", "inchi": "InChI=1S/C40H52/c1-30(18-13-20-32(3)23-27-38-35(6)26-25-34(5)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-36(7)22-15-29-40(39,9)10/h11-14,16-21,23-28H,15,22,29H2,1-10H3/b12-11+,18-13+,19-14+,27-23+,28-24+,30-16+,31-17+,32-20+,33-21+", "name": "beta-Isorenieratene", "names": [ "beta-Isorenieratene" ] }, { "compound_id": "C16341", "inchi": "InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22-21)18(19)20/h3-4,6-7,9-10,17,21H,2,5,8,11-16H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-/t17-/m1/s1", "name": "2(R)-HPOT", "names": [ "(2R)-(9Z,12Z,15Z)-2-Hydroperoxyoctadecatri-9,12,15-enoic acid", "2(R)-HPOT", "2(R)-HpOTrE" ] }, { "compound_id": "C16342", "inchi": "InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-/t17-/m1/s1", "name": "2(R)-HOT", "names": [ "(2R)-(9Z,12Z,15Z)-2-Hydroxyoctadecatri-9,12,15-enoic acid", "2(R)-HOT", "2(R)-HOTrE" ] }, { "compound_id": "C16343", "inchi": "InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3-,7-6-,10-9-", "name": "Heptadecatrienal", "names": [ "(8Z,11Z,14Z)-8,11,14-Heptadecatrienal", "Heptadecatrienal" ] }, { "compound_id": "C16344", "inchi": "InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h3-4,6-7,9-10H,2,5,8,11-16H2,1H3,(H,18,19)/b4-3-,7-6-,10-9-", "name": "Heptadecatrienoic acid", "names": [ "(8Z,11Z,14Z)-8,11,14-Heptadecatrienoic acid", "Heptadecatrienoic acid" ] }, { "compound_id": "C16345", "inchi": "InChI=1S/C23H38N2O5/c1-19(26)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(28)25-20(23(29)30)17-18-21(24)27/h2-3,7,9,13,15,19-20,26H,4-6,8,10-12,14,16-18H2,1H3,(H2,24,27)(H,25,28)(H,29,30)/b3-2-,9-7-,15-13-/t19?,20-/m1/s1", "name": "Volicitin", "names": [ "N-(17-Hydroxylinolenoyl)-L-glutamine", "Volicitin" ] }, { "compound_id": "C16346", "inchi": "InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13-", "name": "17-Hydroxylinolenic acid", "names": [ "(9Z,12Z,15Z)-17-Hydroxyoctadecatri-9,12,15-enoic acid", "17-Hydroxylinolenic acid" ] }, { "compound_id": "C16347", "inchi": "InChI=1S/C40H54O3/c1-30(19-13-21-32(3)22-14-23-33(4)25-16-28-39(7,8)43)17-11-12-18-31(2)20-15-24-34(5)26-27-36-35(6)37(41)29-38(42)40(36,9)10/h11-27,38,42-43H,28-29H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,30-17+,31-18+,32-21+,33-23+,34-24+/t38-/m1/s1", "name": "Deinoxanthin", "names": [ "Deinoxanthin" ] }, { "compound_id": "C16348", "inchi": "InChI=1S/C3H3ClO/c4-2-1-3-5/h1-3H/b2-1-", "name": "cis-3-Chloroallyl aldehyde", "names": [ "cis-3-Chloro-2-propenal", "cis-3-Chloroallyl aldehyde" ] }, { "compound_id": "C16349", "inchi": "InChI=1S/C36H36O17/c37-14-25-28(42)30(44)32(46)36(52-25)51-24-13-21-22(49-34(24)17-4-8-19(39)9-5-17)11-20(40)12-23(21)50-35-33(47)31(45)29(43)26(53-35)15-48-27(41)10-3-16-1-6-18(38)7-2-16/h1-13,25-26,28-33,35-37,42-47H,14-15H2,(H2-,38,39,40,41)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", "name": "Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)", "names": [ "Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)" ] }, { "compound_id": "C16350", "inchi": "InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-4-7-20(40)21(41)9-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", "name": "Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)", "names": [ "Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)" ] }, { "compound_id": "C16351", "inchi": "InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)36(54-24)53-23-11-18-21(51-34(23)15-7-19(40)27(43)20(41)8-15)9-17(39)10-22(18)52-35-33(49)31(47)29(45)25(55-35)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", "name": "Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)", "names": [ "Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)" ] }, { "compound_id": "C16352", "inchi": "InChI=1S/C11H14N4O6/c1-14-3-15(8-5(14)9(19)13-11(20)12-8)10-7(18)6(17)4(2-16)21-10/h3-4,6-7,10,16-18H,2H2,1H3,(H-,12,13,19,20)/p+1/t4-,6-,7-,10-/m1/s1", "name": "7-Methylxanthosine", "names": [ "7-Methylxanthosine" ] }, { "compound_id": "C16353", "inchi": "InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)", "name": "7-Methylxanthine", "names": [ "7-Methylxanthine" ] }, { "compound_id": "C16354", "inchi": "InChI=1S/C42H46O25/c43-11-25-30(51)33(54)36(57)41(65-25)63-23-7-15(6-20(48)29(23)50)39-24(64-42-37(58)34(55)31(52)26(12-44)66-42)10-17-21(61-39)8-16(45)9-22(17)62-40-38(59)35(56)32(53)27(67-40)13-60-28(49)4-2-14-1-3-18(46)19(47)5-14/h1-10,25-27,30-38,40-44,51-59H,11-13H2,(H4-,45,46,47,48,49,50)/p+1/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m1/s1", "name": "Albireodelphin", "names": [ "Albireodelphin" ] }, { "compound_id": "C16355", "inchi": "InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)", "name": "7-Methyluric acid", "names": [ "7-Methyluric acid" ] }, { "compound_id": "C16356", "inchi": "InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)", "name": "1,7-Dimethyluric acid", "names": [ "1,7-Dimethyluric acid" ] }, { "compound_id": "C16357", "inchi": "InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)", "name": "3-Methylxanthine", "names": [ "3-Methylxanthine" ] }, { "compound_id": "C16358", "inchi": "InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)", "name": "1-Methylxanthine", "names": [ "1-Methylxanthine" ] }, { "compound_id": "C16359", "inchi": "InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)", "name": "1-Methyluric acid", "names": [ "1-Methyluric acid" ] }, { "compound_id": "C16360", "inchi": "InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)", "name": "3,7-Dimethyluric acid", "names": [ "3,7-Dimethyluric acid" ] }, { "compound_id": "C16361", "inchi": "InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)", "name": "1,3,7-Trimethyluric acid", "names": [ "1,3,7-Trimethylurate", "1,3,7-Trimethyluric acid" ] }, { "compound_id": "C16362", "inchi": "InChI=1S/C7H12N4O3/c1-8-6(13)10(2)4-5(12)11(3)7(14)9-4/h4H,1-3H3,(H,8,13)(H,9,14)", "name": "3,6,8-Trimethylallantoin", "names": [ "3,6,8-Trimethylallantoin" ] }, { "compound_id": "C16363", "inchi": "InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)", "name": "N-Methylurea", "names": [ "Methylurea", "N-Methylurea" ] }, { "compound_id": "C16364", "inchi": "InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)", "name": "N,N'-Dimethylurea", "names": [ "1,3-Dimethylurea", "N,N'-Dimethylurea" ] }, { "compound_id": "C16365", "inchi": "InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)", "name": "5-Acetylamino-6-formylamino-3-methyluracil", "names": [ "5-Acetylamino-6-formylamino-3-methyluracil", "AFMU" ] }, { "compound_id": "C16366", "inchi": "InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)", "name": "5-Acetylamino-6-amino-3-methyluracil", "names": [ "5-Acetylamino-6-amino-3-methyluracil", "AAMU" ] }, { "compound_id": "C16367", "inchi": "InChI=1S/C30H26O15/c31-14-8-17(33)15-10-22(29(43-21(15)9-14)13-6-19(35)25(38)20(36)7-13)44-30-28(41)27(40)26(39)23(45-30)11-42-24(37)4-2-12-1-3-16(32)18(34)5-12/h1-10,23,26-28,30,39-41H,11H2,(H6-,31,32,33,34,35,36,37,38)/p+1/t23-,26-,27+,28-,30-/m1/s1", "name": "Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)", "names": [ "Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)" ] }, { "compound_id": "C16368", "inchi": "InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30,36-38H,14H2,(H3-,31,32,33,34,35)/p+1/t24-,26-,27+,28-,30-/m1/s1", "name": "Pelargonidin 3-(6-p-coumaroyl)glucoside", "names": [ "Pelargonidin 3-(6-p-coumaroyl)glucoside" ] }, { "compound_id": "C16369", "inchi": "InChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t24-,26-,27+,28-,30-/m1/s1", "name": "Cyanidin 3-(6-p-caffeoyl)glucoside", "names": [ "Cyanidin 3-(6-p-caffeoyl)glucoside" ] }, { "compound_id": "C16370", "inchi": "InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30-/m1/s1", "name": "Delphinidin 3-(6-p-coumaroyl)glucoside", "names": [ "Delphinidin 3-(6-p-coumaroyl)glucoside" ] }, { "compound_id": "C16371", "inchi": "InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-3-5-17(38)6-4-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", "name": "Pelargonidin 3-glucoside 5-caffeoylglucoside", "names": [ "Pelargonidin 3-glucoside 5-caffeoylglucoside" ] }, { "compound_id": "C16372", "inchi": "InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-22(51-34(24)15-3-5-19(40)21(42)8-15)9-16(38)10-23(17)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", "name": "Cyanidin 3-glucoside 5-caffeoylglucoside", "names": [ "Cyanidin 3-glucoside 5-caffeoylglucoside" ] }, { "compound_id": "C16373", "inchi": "InChI=1S/C30H30O20/c31-10-4-13(33)11-6-16(25(46-15(11)5-10)9-1-2-12(32)14(34)3-9)47-30-27(50-29-24(42)21(39)23(41)26(49-29)28(43)44)22(40)20(38)17(48-30)8-45-19(37)7-18(35)36/h1-6,17,20-24,26-27,29-30,38-42H,7-8H2,(H5-,31,32,33,34,35,36,43,44)/p+1/t17-,20-,21+,22+,23+,24-,26+,27?,29?,30-/m1/s1", "name": "Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside", "names": [ "Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside" ] }, { "compound_id": "C16374", "inchi": "InChI=1S/C45H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38-,39-,40?,44-/m1/s1", "name": "(2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl-CoA", "names": [ "(2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl-CoA" ] }, { "compound_id": "C16375", "inchi": "InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t33?,34-,38-,39-,40?,44-/m1/s1", "name": "(6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21-enoyl-CoA", "names": [ "(6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21-enoyl-CoA" ] }, { "compound_id": "C16376", "inchi": "InChI=1S/C45H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40?,44-/m1/s1", "name": "(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexa-6,9,12,15,18,21-enoyl-CoA", "names": [ "(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexa-6,9,12,15,18,21-enoyl-CoA" ] }, { "compound_id": "C16386", "inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1", "name": "(R)-Nicotine", "names": [ "(R)-Nicotine" ] }, { "compound_id": "C16387", "inchi": "InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38-,39-,40?,44-/m1/s1", "name": "(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA", "names": [ "(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA" ] }, { "compound_id": "C16388", "inchi": "InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-,21-20-/t33?,34-,38-,39-,40?,44-/m1/s1", "name": "(6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapenta-6,9,12,15,18-enoyl-CoA", "names": [ "(6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapenta-6,9,12,15,18-enoyl-CoA" ] }, { "compound_id": "C16389", "inchi": "InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40?,44-/m1/s1", "name": "(6Z,9Z,12Z,15Z,18Z)-3-Oxotetracosapenta-6,9,12,15,18-enoyl-CoA", "names": [ "(6Z,9Z,12Z,15Z,18Z)-3-Oxotetracosapenta-6,9,12,15,18-enoyl-CoA" ] }, { "compound_id": "C16390", "inchi": "InChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)", "name": "(S)-2-(Hydroxymethyl)glutarate", "names": [ "(S)-2-(Hydroxymethyl)glutarate" ] }, { "compound_id": "C16391", "inchi": "InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3", "name": "Trinitrotoluene", "names": [ "2,4,6-Trinitrotoluene", "Trinitrotoluene" ] }, { "compound_id": "C16392", "inchi": "InChI=1S/C7H7N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3,8,11H,1H3", "name": "4-Hydroxylamino-2,6-dinitrotoluene", "names": [ "4-Hydroxylamino-2,6-dinitrotoluene" ] }, { "compound_id": "C16393", "inchi": "InChI=1S/C7H7N3O5/c1-4-6(8-11)2-5(9(12)13)3-7(4)10(14)15/h2-3,8,11H,1H3", "name": "2-Hydroxylamino-4,6-dinitrotoluene", "names": [ "2-Hydroxylamino-4,6-dinitrotoluene" ] }, { "compound_id": "C16394", "inchi": "InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3", "name": "4-Amino-2,6-dinitrotoluene", "names": [ "4-Amino-2,6-dinitrotoluene" ] }, { "compound_id": "C16395", "inchi": "InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3", "name": "2-Amino-4,6-dinitrotoluene", "names": [ "2-Amino-4,6-dinitrotoluene" ] }, { "compound_id": "C16396", "inchi": "InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3", "name": "2,4-Diamino-6-nitrotoluene", "names": [ "2,4-Diamino-6-nitrotoluene" ] }, { "compound_id": "C16397", "inchi": "InChI=1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3", "name": "2,6-Diamino-4-nitrotoluene", "names": [ "2,6-Diamino-4-nitrotoluene" ] }, { "compound_id": "C16398", "inchi": "InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3", "name": "2-Amino-4-nitrotoluene", "names": [ "2-Amino-4-nitrotoluene", "5-Nitro-o-toluidine" ] }, { "compound_id": "C16399", "inchi": "InChI=1S/C7H11N3O/c1-4-6(9)2-5(8)3-7(4)10-11/h2-3,10-11H,8-9H2,1H3", "name": "2,4-Diamino-6-hydroxylaminotoluene", "names": [ "2,4-Diamino-6-hydroxylaminotoluene" ] }, { "compound_id": "C16400", "inchi": "InChI=1S/C7H11N3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,8-10H2,1H3", "name": "2,4,6-Triaminotoluene", "names": [ "2,4,6-Triaminotoluene" ] }, { "compound_id": "C16401", "inchi": "InChI=1S/C7H8O3/c1-4-6(9)2-5(8)3-7(4)10/h2-3,8-10H,1H3", "name": "2,4,6-Trihydroxytoluene", "names": [ "2,4,6-Trihydroxytoluene", "2-Methylphloroglucinol" ] }, { "compound_id": "C16402", "inchi": "InChI=1S/C7H9N3O4/c1-4-6(9-12)2-5(8-11)3-7(4)10(13)14/h2-3,8-9,11-12H,1H3", "name": "2,4-Dihydroxylamino-6-nitrotoluene", "names": [ "2,4-Dihydroxylamino-6-nitrotoluene" ] }, { "compound_id": "C16403", "inchi": "InChI=1S/C7H9N3O3/c1-4-6(9-11)2-5(8)3-7(4)10(12)13/h2-3,9,11H,8H2,1H3", "name": "4-Amino-2-hydroxylamino-6-nitrotoluene", "names": [ "4-Amino-2-hydroxylamino-6-nitrotoluene" ] }, { "compound_id": "C16404", "inchi": "InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+", "name": "Pinocembrin chalcone", "names": [ "Pinocembrin chalcone" ] }, { "compound_id": "C16405", "inchi": "InChI=1S/C16H14O6/c1-22-15-6-9(2-4-11(15)18)3-5-12(19)16-13(20)7-10(17)8-14(16)21/h2-8,17-18,20-21H,1H3/b5-3+", "name": "Homoeriodictyol chalcone", "names": [ "Homoeriodictyol chalcone" ] }, { "compound_id": "C16406", "inchi": "InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1", "name": "Phlorizin chalcone", "names": [ "Chalcone 2'-O-glucoside", "Phlorizin chalcone" ] }, { "compound_id": "C16407", "inchi": "InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-23,25-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1", "name": "2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside", "names": [ "2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside", "THC 4'-glucoside" ] }, { "compound_id": "C16408", "inchi": "InChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/b4-2+/t16-,18-,19+,20-,21-/m1/s1", "name": "2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside", "names": [ "2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside", "PHC 4'-O-glucoside" ] }, { "compound_id": "C16409", "inchi": "InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)30-9-5-12(25)16-13(6-9)31-14(17(16)26)4-8-1-2-10(23)11(24)3-8/h1-6,15,18-25,27-29H,7H2/b14-4-/t15-,18-,19+,20-,21-/m1/s1", "name": "Aureusidin 6-O-glucoside", "names": [ "Aureusidin 6-O-glucoside" ] }, { "compound_id": "C16410", "inchi": "InChI=1S/C21H20O12/c22-6-14-18(28)19(29)20(30)21(33-14)31-8-4-9(23)15-12(5-8)32-13(17(15)27)3-7-1-10(24)16(26)11(25)2-7/h1-5,14,18-26,28-30H,6H2/b13-3-/t14-,18-,19+,20-,21-/m1/s1", "name": "Bracteatin 6-O-glucoside", "names": [ "Bracteatin 6-O-glucoside" ] }, { "compound_id": "C16411", "inchi": "InChI=1S/C14H10N6O9/c1-7-11(3-9(17(22)23)5-13(7)19(26)27)15-16(21)12-4-10(18(24)25)6-14(8(12)2)20(28)29/h3-6H,1-2H3/b16-15-", "name": "4,4',6,6'-Tetranitro-2,2'-azoxytoluene", "names": [ "4,4',6,6'-Tetranitro-2,2'-azoxytoluene" ] }, { "compound_id": "C16412", "inchi": "InChI=1S/C14H10N6O9/c1-7-11(3-10(17(22)23)6-12(7)18(24)25)15-16(21)9-4-13(19(26)27)8(2)14(5-9)20(28)29/h3-6H,1-2H3/b16-15-", "name": "2,4',6,6'-Tetranitro-2',4-azoxytoluene", "names": [ "2,4',6,6'-Tetranitro-2',4-azoxytoluene" ] }, { "compound_id": "C16413", "inchi": "InChI=1S/C14H10N6O9/c1-7-11(17(22)23)3-9(4-12(7)18(24)25)15-16(21)10-5-13(19(26)27)8(2)14(6-10)20(28)29/h3-6H,1-2H3/b16-15-", "name": "2,2',6,6'-Tetranitro-4,4'-azoxytoluene", "names": [ "2,2',6,6'-Tetranitro-4,4'-azoxytoluene" ] }, { "compound_id": "C16414", "inchi": "InChI=1S/C7H9N3O4/c1-3-4(8)2-5(9-12)7(11)6(3)10(13)14/h2,9,11-12H,8H2,1H3", "name": "2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene", "names": [ "2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene", "4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol" ] }, { "compound_id": "C16415", "inchi": "InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,13-19H/t13-,14-,15+/m0/s1", "name": "5-Deoxyleucopelargonidin", "names": [ "5-Deoxyleucopelargonidin" ] }, { "compound_id": "C16416", "inchi": "InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+", "name": "Desmethylxanthohumol", "names": [ "Desmethylxanthohumol" ] }, { "compound_id": "C16417", "inchi": "InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+", "name": "Xanthohumol", "names": [ "Xanthohumol" ] }, { "compound_id": "C16418", "inchi": "InChI=1S/C17H14O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,16-17,19-20H,1H3/t16-,17+/m1/s1", "name": "Pinobanksin 3-O-acetate", "names": [ "Pinobanksin 3-O-acetate" ] }, { "compound_id": "C16419", "inchi": "InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1", "name": "Pinostrobin", "names": [ "Pinostrobin" ] }, { "compound_id": "C16420", "inchi": "InChI=1S/C9H11N3O3/c1-5-8(10)3-7(11-6(2)13)4-9(5)12(14)15/h3-4H,10H2,1-2H3,(H,11,13)", "name": "4-Acetamido-2-amino-6-nitrotoluene", "names": [ "4-Acetamido-2-amino-6-nitrotoluene" ] }, { "compound_id": "C16421", "inchi": "InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1", "name": "AI-2", "names": [ "AI-2", "Autoinducer 2" ] }, { "compound_id": "C16422", "inchi": "InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1", "name": "Hesperetin 7-O-glucoside", "names": [ "Hesperetin 7-O-glucoside" ] }, { "compound_id": "C16423", "inchi": "InChI=1S/C27H32O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-9,11,18,20-29,31-37H,10H2,1H3/b7-4+/t11-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", "name": "Naringin chalcone", "names": [ "Naringin chalcone" ] }, { "compound_id": "C16424", "inchi": "InChI=1S/C15H24N5O13P3/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(31-15)5-30-35(26,27)33-36(28,29)32-34(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,26,27)(H,28,29)(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1", "name": "Isopentenyladenosine-5'-triphosphate", "names": [ "Isopentenyl-ATP", "Isopentenyladenosine-5'-triphosphate" ] }, { "compound_id": "C16426", "inchi": "InChI=1S/C15H23N5O10P2/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(29-15)5-28-32(26,27)30-31(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,26,27)(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1", "name": "Isopentenyladenosine-5'-diphosphate", "names": [ "Isopentenyl-ADP", "Isopentenyladenosine-5'-diphosphate" ] }, { "compound_id": "C16427", "inchi": "InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1", "name": "Isopentenyl adenosine", "names": [ "Isopentenyl adenosine" ] }, { "compound_id": "C16428", "inchi": "InChI=1S/C15H24N5O14P3/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(32-15)5-31-36(27,28)34-37(29,30)33-35(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,29,30)(H,16,17,18)(H2,24,25,26)/b8-2+/t9-,11-,12-,15-/m1/s1", "name": "trans-Zeatin riboside triphosphate", "names": [ "trans-Zeatin riboside triphosphate" ] }, { "compound_id": "C16429", "inchi": "InChI=1S/C15H23N5O11P2/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(30-15)5-29-33(27,28)31-32(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,16,17,18)(H2,24,25,26)/b8-2+/t9-,11-,12-,15-/m1/s1", "name": "trans-Zeatin riboside diphosphate", "names": [ "trans-Zeatin riboside diphosphate" ] }, { "compound_id": "C16430", "inchi": "InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)/b8-2+/t9-,11-,12-,15-/m1/s1", "name": "trans-Zeatin riboside monophosphate", "names": [ "trans-Zeatin riboside monophosphate" ] }, { "compound_id": "C16431", "inchi": "InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1", "name": "trans-Zeatin riboside", "names": [ "trans-Zeatin riboside" ] }, { "compound_id": "C16432", "inchi": "InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1", "name": "5-Hydroxyectoine", "names": [ "5-Hydroxyectoine" ] }, { "compound_id": "C16433", "inchi": "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)", "name": "Aspartate", "names": [ "Aspartate", "Aspartic acid" ] }, { "compound_id": "C16434", "inchi": "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)", "name": "Isoleucine", "names": [ "Isoleucine" ] }, { "compound_id": "C16435", "inchi": "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)", "name": "Proline", "names": [ "DL-Proline", "Proline" ] }, { "compound_id": "C16436", "inchi": "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)", "name": "Valine", "names": [ "Valine" ] }, { "compound_id": "C16438", "inchi": "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)", "name": "Asparagine", "names": [ "Asparagine", "DL-Asparagine" ] }, { "compound_id": "C16439", "inchi": "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)", "name": "Leucine", "names": [ "Leucine" ] }, { "compound_id": "C16440", "inchi": "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)", "name": "Lysine", "names": [ "Lysine" ] }, { "compound_id": "C16441", "inchi": "InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)/b8-2-/t9-,11-,12-,15-/m1/s1", "name": "cis-Zeatin riboside monophosphate", "names": [ "cis-Zeatin riboside monophosphate" ] }, { "compound_id": "C16442", "inchi": null, "name": "Asbestos", "names": [ "Asbestos" ] }, { "compound_id": "C16443", "inchi": "InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16-/m1/s1", "name": "trans-Zeatin-7-beta-D-glucoside", "names": [ "trans-Zeatin-7-beta-D-glucoside" ] }, { "compound_id": "C16444", "inchi": "InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2", "name": "Benzidine", "names": [ "Benzidine" ] }, { "compound_id": "C16445", "inchi": "InChI=1S/C15H24N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h6-9,11-12,15,21-23H,2-5H2,1H3,(H,16,17,18)(H2,24,25,26)/t8?,9-,11-,12-,15-/m1/s1", "name": "Dihydrozeatin riboside monophosphate", "names": [ "Dihydrozeatin riboside monophosphate" ] }, { "compound_id": "C16446", "inchi": "InChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2", "name": "Chlornaphazine", "names": [ "Chlornaphazine", "N,N-Bis(2-chloroethyl)-2-naphthylamine" ] }, { "compound_id": "C16447", "inchi": "InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)/t8?,9-,11-,12-,15-/m1/s1", "name": "Dihydrozeatin riboside", "names": [ "Dihydrozeatin riboside" ] }, { "compound_id": "C16448", "inchi": "InChI=1S/C16H25N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h6-9,11-13,16,22-25H,2-5H2,1H3,(H2,17,18,19,20,21)/t8?,9-,11-,12+,13-,16-/m1/s1", "name": "Dihydrozeatin-O-glucoside", "names": [ "Dihydrozeatin-O-glucoside" ] }, { "compound_id": "C16449", "inchi": "InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11-,12-,15-/m1/s1", "name": "cis-Zeatin riboside", "names": [ "cis-Zeatin riboside" ] }, { "compound_id": "C16450", "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2", "name": "1,3-Butadiene", "names": [ "1,3-Butadiene" ] }, { "compound_id": "C16451", "inchi": null, "name": "Coal-tar pitch", "names": [ "Coal-tar pitch" ] }, { "compound_id": "C16452", "inchi": "InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2", "name": "N'-Nitrosonornicotine", "names": [ "N'-Nitrosonornicotine", "NNN" ] }, { "compound_id": "C16453", "inchi": "InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3", "name": "4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone", "names": [ "4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone", "NNK" ] }, { "compound_id": "C16454", "inchi": "InChI=1/Rn/i1+0", "name": "Radon-222", "names": [ "Radon-222" ] }, { "compound_id": "C16455", "inchi": "InChI=1/Ra/i1-2", "name": "Radium-224", "names": [ "Radium-224" ] }, { "compound_id": "C16456", "inchi": "InChI=1/Ra/i1+0", "name": "Radium-226", "names": [ "Radium-226" ] }, { "compound_id": "C16457", "inchi": "InChI=1/Ra/i1+2", "name": "Radium-228", "names": [ "Radium-228" ] }, { "compound_id": "C16458", "inchi": null, "name": "Shale oils", "names": [ "Shale oils", "oil shale" ] }, { "compound_id": "C16459", "inchi": null, "name": "Crystalline silica", "names": [ "Crystalline silica", "Quartz" ] }, { "compound_id": "C16460", "inchi": "InChI=1/Be", "name": "Beryllium", "names": [ "Beryllium" ] }, { "compound_id": "C16461", "inchi": "InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+", "name": "Geranic acid", "names": [ "3,7-Dimethylocta-2,6-dienoate", "Geranic acid" ] }, { "compound_id": "C16462", "inchi": "InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)", "name": "Citronellate", "names": [ "3,7-Dimethyl-6-octenoic acid", "Citronellate", "Citronellic acid" ] }, { "compound_id": "C16463", "inchi": "InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1", "name": "3',5'-Cyclic diGMP", "names": [ "3',5'-Cyclic diGMP", "3',5'-Cyclic diguanylic acid", "Bis-(3',5')-cyclic diGMP", "Cyclic di-3',5'-guanylate", "cdiGMP" ] }, { "compound_id": "C16464", "inchi": "InChI=1S/C31H52N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,16-17,19-20,24-26,30,41-42H,6,8-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t19?,20-,24-,25-,26?,30-/m1/s1", "name": "Citronellyl-CoA", "names": [ "Citronellyl-CoA" ] }, { "compound_id": "C16465", "inchi": "InChI=1S/C31H50N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,13,16-17,20,24-26,30,41-42H,6,8-12,14-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-13+/t20-,24-,25-,26?,30-/m1/s1", "name": "trans-Geranyl-CoA", "names": [ "trans-Geranyl-CoA" ] }, { "compound_id": "C16466", "inchi": "InChI=1S/C30H48N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h6,15-16,19,23-25,29,41-42H,5,7-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25?,29-/m1/s1", "name": "7-Methyl-3-oxo-6-octenoyl-CoA", "names": [ "7-Methyl-3-oxo-6-octenoyl-CoA" ] }, { "compound_id": "C16467", "inchi": null, "name": "cis-Prenyl-tRNA", "names": [ "cis-Prenyl-tRNA", "tRNA containing N6-(cis-hydroxy)isopentenyladenosine" ] }, { "compound_id": "C16468", "inchi": "InChI=1S/C28H44N7O17P3S/c1-16(2)6-5-7-19(37)56-11-10-30-18(36)8-9-31-26(40)23(39)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-15-34-20-24(29)32-14-33-25(20)35/h5-7,14-15,17,21-23,27,38-39H,8-13H2,1-4H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/b7-5+/t17-,21-,22-,23?,27-/m1/s1", "name": "(2E)-5-Methylhexa-2,4-dienoyl-CoA", "names": [ "(2E)-5-Methylhexa-2,4-dienoyl-CoA" ] }, { "compound_id": "C16469", "inchi": "InChI=1S/C28H46N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,16-17,21-23,27,36,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t16?,17-,21-,22-,23?,27-/m1/s1", "name": "3-Hydroxy-5-methylhex-4-enoyl-CoA", "names": [ "3-Hydroxy-5-methylhex-4-enoyl-CoA" ] }, { "compound_id": "C16470", "inchi": "InChI=1S/C28H46N7O17P3S/c1-16(2)6-5-7-19(37)56-11-10-30-18(36)8-9-31-26(40)23(39)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-15-34-20-24(29)32-14-33-25(20)35/h6,14-15,17,21-23,27,38-39H,5,7-13H2,1-4H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23?,27-/m1/s1", "name": "5-Methylhex-4-enoyl-CoA", "names": [ "5-Methylhex-4-enoyl-CoA" ] }, { "compound_id": "C16471", "inchi": "InChI=1S/C28H44N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,17,21-23,27,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,21-,22-,23?,27-/m1/s1", "name": "5-Methyl-3-oxo-4-hexenoyl-CoA", "names": [ "5-Methyl-3-oxo-4-hexenoyl-CoA" ] }, { "compound_id": "C16472", "inchi": "InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H", "name": "3-Fluorocatechol", "names": [ "3-Fluorocatechol" ] }, { "compound_id": "C16473", "inchi": "InChI=1S/C6H5FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H", "name": "4-Fluorocatechol", "names": [ "4-Fluorocatechol" ] }, { "compound_id": "C16474", "inchi": "InChI=1S/C6H5FO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1-,4-3+", "name": "3-Fluoro-cis,cis-muconate", "names": [ "3-Fluoro-cis,cis-muconate" ] }, { "compound_id": "C16475", "inchi": "InChI=1S/C6H5FO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)/b3-1-,4-2+", "name": "2-Fluoro-cis,cis-muconate", "names": [ "2-Fluoro-cis,cis-muconate" ] }, { "compound_id": "C16476", "inchi": "InChI=1S/C6H5FO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)", "name": "4-Fluoromuconolactone", "names": [ "4-Fluoromuconolactone" ] }, { "compound_id": "C16477", "inchi": "InChI=1S/C6H5FO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)", "name": "5-Fluoromuconolactone", "names": [ "5-Fluoromuconolactone" ] }, { "compound_id": "C16478", "inchi": "InChI=1S/C7H7FO4/c8-4-2-1-3-7(12,5(4)9)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m0/s1", "name": "3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate", "names": [ "3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate" ] }, { "compound_id": "C16479", "inchi": "InChI=1S/C7H7FO4/c8-4-1-2-5(9)7(12,3-4)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m1/s1", "name": "5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate", "names": [ "5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate" ] }, { "compound_id": "C16480", "inchi": "InChI=1S/C7H7FO4/c8-4-1-2-7(12,6(10)11)5(9)3-4/h1-3,5,9,12H,(H,10,11)/t5-,7+/m0/s1", "name": "4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate", "names": [ "4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate" ] }, { "compound_id": "C16481", "inchi": "InChI=1S/C7H7FO4/c8-4-2-1-3-5(9)7(4,12)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m0/s1", "name": "6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate", "names": [ "6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate" ] }, { "compound_id": "C16482", "inchi": "InChI=1S/C7H7FO4/c8-7(12)4-2-1-3-6(7,11)5(9)10/h1-4,11-12H,(H,9,10)/t6-,7-/m0/s1", "name": "2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate", "names": [ "2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate" ] }, { "compound_id": "C16483", "inchi": "InChI=1S/C6H7FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H/t5-,6+/m0/s1", "name": "4-Fluorocyclohexadiene-cis,cis-1,2-diol", "names": [ "4-Fluorocyclohexadiene-cis,cis-1,2-diol" ] }, { "compound_id": "C16484", "inchi": "InChI=1S/C6H7FO2/c7-6(9)4-2-1-3-5(6)8/h1-5,8-9H/t5-,6+/m0/s1", "name": "1-Fluorocyclohexadiene-cis,cis-1,2-diol", "names": [ "1-Fluorocyclohexadiene-cis,cis-1,2-diol" ] }, { "compound_id": "C16485", "inchi": "InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H", "name": "4-Fluorophenol", "names": [ "4-Fluorophenol" ] }, { "compound_id": "C16486", "inchi": null, "name": "Astaxanthin diester", "names": [ "Astaxanthin diester" ] }, { "compound_id": "C16487", "inchi": "InChI=1S/FH/h1H", "name": "Hydrofluoric acid", "names": [ "Fluoride", "Hydrofluoric acid", "Hydrogen fluoride" ] }, { "compound_id": "C16488", "inchi": "InChI=1S/C12H24N2O7/c13-7(12(20)21)3-1-2-4-14-5-8(16)10(18)11(19)9(17)6-15/h7,9-11,14-15,17-19H,1-6,13H2,(H,20,21)", "name": "Fructoselysine", "names": [ "Fructoselysine" ] }, { "compound_id": "C16489", "inchi": "InChI=1S/C12H25N2O10P/c13-7(12(19)20)3-1-2-4-14-5-8(15)10(17)11(18)9(16)6-24-25(21,22)23/h7,9-11,14,16-18H,1-6,13H2,(H,19,20)(H2,21,22,23)", "name": "Fructoselysine 6-phosphate", "names": [ "Fructoselysine 6-phosphate" ] }, { "compound_id": "C16490", "inchi": "InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18+,20+,21+,22-,25?,26?,27+/m1/s1", "name": "Kaempferol 3-O-beta-D-glucosylgalactoside", "names": [ "Kaempferol 3-O-beta-D-glucosylgalactoside" ] }, { "compound_id": "C16491", "inchi": "InChI=1S/C26H28O14/c27-7-16-20(33)22(35)25(40-26-23(36)19(32)13(31)8-37-26)24(39-16)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2/t13-,16+,19-,20+,22-,23+,24-,25+,26-/m0/s1", "name": "Isovitexin 2''-O-arabinoside", "names": [ "Isovitexin 2''-O-arabinoside" ] }, { "compound_id": "C16492", "inchi": "InChI=1S/C21H22O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-5,13-14,17-19,21-25,27-29H,6-7H2/t13?,14-,17-,18+,19-,21+/m1/s1", "name": "8-C-Glucosylnaringenin", "names": [ "8-C-Glucosylnaringenin" ] }, { "compound_id": "C16493", "inchi": "InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23+,25-,26-,27-/m1/s1", "name": "3beta,5beta-Ketodiol", "names": [ "2,22,25-Trideoxyecdysone", "3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one", "3beta,5beta-Ketodiol" ] }, { "compound_id": "C16494", "inchi": "InChI=1S/C27H44O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-20,22,28,30-31H,6-15H2,1-5H3/t17-,18+,19-,20+,22+,25-,26-,27-/m1/s1", "name": "3beta,5beta-Ketotriol", "names": [ "2,22-Dideoxyecdysone", "3beta,5beta-Ketotriol" ] }, { "compound_id": "C16495", "inchi": "InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22?,25+,26+,27+/m0/s1", "name": "2-Deoxyecdysone", "names": [ "2-Deoxyecdysone" ] }, { "compound_id": "C16496", "inchi": "InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20?,22-,23-,25+,26+,27+/m0/s1", "name": "3-Epiecdysone", "names": [ "3-Epiecdysone" ] }, { "compound_id": "C16497", "inchi": "InChI=1S/C27H42O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-16,18-19,21-22,29,31-32H,6-14H2,1-5H3/t16-,18+,19-,21-,22?,25+,26+,27+/m0/s1", "name": "3-Dehydro-2-deoxyecdysone", "names": [ "3-Dehydro-2-deoxyecdysone" ] }, { "compound_id": "C16498", "inchi": "InChI=1S/C27H42O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-17,19-20,22,30-31H,6-15H2,1-5H3/t17-,19-,20+,22+,25-,26-,27-/m1/s1", "name": "2,22-Dideoxy-3-dehydroecdysone", "names": [ "2,22-Dideoxy-3-dehydroecdysone" ] }, { "compound_id": "C16499", "inchi": "InChI=1S/C27H44O7/c1-15(20(29)7-8-24(2,33)14-28)16-6-10-27(34)18-11-21(30)19-12-22(31)23(32)13-25(19,3)17(18)5-9-26(16,27)4/h11,15-17,19-20,22-23,28-29,31-34H,5-10,12-14H2,1-4H3/t15-,16+,17-,19-,20?,22+,23-,24?,25+,26+,27+/m0/s1", "name": "26-Hydroxyecdysone", "names": [ "26-Hydroxyecdysone" ] }, { "compound_id": "C16500", "inchi": "InChI=1S/C27H44O8/c1-23(33,14-28)8-7-22(32)26(4,34)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,2)15(16)5-9-25(21,27)3/h11,15,17,19-22,28,30-35H,5-10,12-14H2,1-4H3/t15-,17-,19+,20-,21-,22-,23?,24+,25+,26?,27+/m0/s1", "name": "20,26-Dihydroxyecdysone", "names": [ "20,26-Dihydroxyecdysone" ] }, { "compound_id": "C16501", "inchi": null, "name": "Farnesal", "names": [ "Farnesal" ] }, { "compound_id": "C16502", "inchi": "InChI=1S/C15H24O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)/b13-9+,14-11+", "name": "Farnesoic acid", "names": [ "Farnesoic acid", "trans,trans-Farnesoic acid" ] }, { "compound_id": "C16503", "inchi": "InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10+,15-12+", "name": "Methyl farnesoate", "names": [ "Methyl farnesoate" ] }, { "compound_id": "C16504", "inchi": "InChI=1S/C15H24O3/c1-11(8-9-13-15(3,4)18-13)6-5-7-12(2)10-14(16)17/h6,10,13H,5,7-9H2,1-4H3,(H,16,17)/b11-6+,12-10+/t13-/m1/s1", "name": "Juvenile hormone III acid", "names": [ "Juvenile hormone III acid" ] }, { "compound_id": "C16505", "inchi": "InChI=1S/C16H28O4/c1-12(9-10-14(17)16(3,4)19)7-6-8-13(2)11-15(18)20-5/h7,11,14,17,19H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m0/s1", "name": "(10S)-Juvenile hormone III diol", "names": [ "(10S)-Juvenile hormone III diol" ] }, { "compound_id": "C16506", "inchi": "InChI=1S/C15H26O4/c1-11(8-9-13(16)15(3,4)19)6-5-7-12(2)10-14(17)18/h6,10,13,16,19H,5,7-9H2,1-4H3,(H,17,18)/b11-6+,12-10+/t13-/m0/s1", "name": "(10S)-Juvenile hormone III acid diol", "names": [ "(10S)-Juvenile hormone III acid diol" ] }, { "compound_id": "C16507", "inchi": "InChI=1S/C16H29O7P/c1-12(7-6-8-13(2)11-15(17)22-5)9-10-14(16(3,4)18)23-24(19,20)21/h7,11,14,18H,6,8-10H2,1-5H3,(H2,19,20,21)/b12-7+,13-11+/t14-/m0/s1", "name": "(10S)-Juvenile hormone III diol phosphate", "names": [ "(10S)-Juvenile hormone III diol phosphate" ] }, { "compound_id": "C16508", "inchi": "InChI=1S/C16H26O4/c1-12(8-9-14-16(3,11-17)20-14)6-5-7-13(2)10-15(18)19-4/h6,10,14,17H,5,7-9,11H2,1-4H3/b12-6+,13-10+/t14-,16-/m1/s1", "name": "12-trans-Hydroxy juvenile hormone III", "names": [ "12-trans-Hydroxy juvenile hormone III" ] }, { "compound_id": "C16509", "inchi": "InChI=1/C27H42O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-18,20-21,23,30H,6-15H2,1-5H3/t18-,20-,21+,23+,25-,26-,27-/m1/s1", "name": "14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione", "names": [ "14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione" ] }, { "compound_id": "C16510", "inchi": null, "name": "C5a anaphylatoxin", "names": [ "C5a anaphylatoxin" ] }, { "compound_id": "C16511", "inchi": "InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1", "name": "L-Homocysteic acid", "names": [ "(2S)-2-Amino-4-sulfobutanoic acid", "L-Homocysteic acid" ] }, { "compound_id": "C16512", "inchi": "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)", "name": "Palmitoylethanolamide", "names": [ "Palmidrol", "Palmitoylethanolamide" ] }, { "compound_id": "C16513", "inchi": "InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-", "name": "(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid", "names": [ "(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid", "Docosapentaenoic acid" ] }, { "compound_id": "C16514", "inchi": null, "name": "Beta-amyloid protein 40", "names": [ "Beta-amyloid protein 40" ] }, { "compound_id": "C16515", "inchi": null, "name": "Beta-amyloid protein 42", "names": [ "Beta-amyloid protein 42" ] }, { "compound_id": "C16516", "inchi": "InChI=1S/C10H10N2OS/c13-12-10(14)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11,13H,5H2,(H,12,14)", "name": "Indolylmethylthiohydroximate", "names": [ "Indolylmethylthiohydroximate" ] }, { "compound_id": "C16517", "inchi": "InChI=1S/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12-/t11-,13-,14+,15-,16+/m1/s1", "name": "Indolylmethyl-desulfoglucosinolate", "names": [ "Indolylmethyl-desulfoglucosinolate" ] }, { "compound_id": "C16518", "inchi": "InChI=1S/C13H15N3O3S/c14-10(13(17)18)7-20-12(16-19)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15,19H,5,7,14H2,(H,17,18)/b16-12-/t10-/m0/s1", "name": "S-(Indolylmethylthiohydroximoyl)-L-cysteine", "names": [ "S-(Indolylmethylthiohydroximoyl)-L-cysteine" ] }, { "compound_id": "C16519", "inchi": "InChI=1S/C14H16O9/c1-6(13(19)20)23-9-4-2-7(8(15)3-5-10(16)17)11(12(9)18)14(21)22/h2,4,7,9,11-12,18H,1,3,5H2,(H,16,17)(H,19,20)(H,21,22)/t7-,9+,11-,12-/m1/s1", "name": "2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate", "names": [ "2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate", "5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate" ] }, { "compound_id": "C16520", "inchi": null, "name": "Hexadecenoyl-[acyl-carrier protein]", "names": [ "Hexadecenoyl-[acyl-carrier protein]" ] }, { "compound_id": "C16521", "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3", "name": "Isoprene", "names": [ "2-Methyl-1,3-butadiene", "Isoprene" ] }, { "compound_id": "C16522", "inchi": "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-", "name": "Icosatrienoic acid", "names": [ "(11Z,14Z,17Z)-Eicosa-11,14,17-trienoic acid", "(11Z,14Z,17Z)-Icosa-11,14,17-trienoic acid", "11,14,17-Eicosatrienoic acid", "11,14,17-Icosatrienoic acid", "ETA", "Eicosatrienoic acid", "Icosatrienoic acid" ] }, { "compound_id": "C16523", "inchi": "InChI=1S/C40H47NO12/c1-21-27(51-30(45)17-26(41)24-13-9-7-10-14-24)19-40(48)35(52-36(47)25-15-11-8-12-16-25)33-38(6,28(44)18-29-39(33,20-49-29)53-23(3)43)34(46)32(50-22(2)42)31(21)37(40,4)5/h7-16,26-29,32-33,35,44,48H,17-20,41H2,1-6H3/t26-,27+,28+,29-,32-,33?,35+,38-,39+,40-/m1/s1", "name": "3'-N-Debenzoyl-2'-deoxytaxol", "names": [ "13-O-beta-Phenylalanoylbaccatin III", "3'-N-Debenzoyl-2'-deoxytaxol", "beta-Phenylalanoyl baccatin III" ] }, { "compound_id": "C16524", "inchi": "InChI=1S/C40H47NO13/c1-20-25(52-36(48)30(45)29(41)23-13-9-7-10-14-23)18-40(49)34(53-35(47)24-15-11-8-12-16-24)32-38(6,26(44)17-27-39(32,19-50-27)54-22(3)43)33(46)31(51-21(2)42)28(20)37(40,4)5/h7-16,25-27,29-32,34,44-45,49H,17-19,41H2,1-6H3/t25-,26-,27+,29-,30+,31+,32?,34-,38+,39-,40+/m0/s1", "name": "3'-N-Debenzoyltaxol", "names": [ "13-O-3-Phenylisoserinoyl baccatin III", "3'-N-Debenzoyltaxol" ] }, { "compound_id": "C16525", "inchi": "InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-", "name": "Icosadienoic acid", "names": [ "(11Z,14Z)-Eicosa-11,14-dienoic acid", "(11Z,14Z)-Icosa-11,14-dienoic acid", "11,14-Eicosadienoic acid", "11,14-Icosadienoic acid", "Eicosadienoic acid", "Icosadienoic acid" ] }, { "compound_id": "C16526", "inchi": "InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-", "name": "Icosenoic acid", "names": [ "(11Z)-Eicosenoic acid", "(11Z)-Icosenoic acid", "(Z)-Icosa-11-enoic acid", "11-Eicosenoic acid", "11-Icosenoic acid", "Eicosenoic acid", "Icosenoic acid" ] }, { "compound_id": "C16527", "inchi": "InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-", "name": "7,10,13,16-Docosatetraenoic acid", "names": [ "(7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoic acid", "7,10,13,16-Docosatetraenoic acid", "Adrenic acid" ] }, { "compound_id": "C16528", "inchi": "InChI=1S/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/t32-,36-,37-,38?,42-/m1/s1", "name": "Docosanoyl-CoA", "names": [ "Behenoyl-CoA", "Docosanoyl-CoA" ] }, { "compound_id": "C16529", "inchi": "InChI=1S/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/t34-,38-,39-,40?,44-/m1/s1", "name": "Tetracosanoyl-CoA", "names": [ "Lignoceroyl-CoA", "Tetracosanoyl-CoA" ] }, { "compound_id": "C16530", "inchi": "InChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,28-30,34-36,40,51-52H,4-10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-/t30-,34-,35-,36?,40-/m1/s1", "name": "Icosenoyl-CoA", "names": [ "(11Z)-Eicosenoyl-CoA", "(11Z)-Icosenoyl-CoA", "Eicosenoyl-CoA", "Icosenoyl-CoA" ] }, { "compound_id": "C16531", "inchi": "InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,30-32,36-38,42,53-54H,4-10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b12-11-/t32-,36-,37-,38?,42-/m1/s1", "name": "Docosenoyl-CoA", "names": [ "(13Z)-Docosenoyl-CoA", "Docosenoyl-CoA" ] }, { "compound_id": "C16532", "inchi": "InChI=1S/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,32-34,38-40,44,55-56H,4-10,13-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b12-11-/t34-,38-,39-,40?,44-/m1/s1", "name": "Tetracosenoyl-CoA", "names": [ "(15Z)-Tetracosenoyl-CoA", "Nervonoyl-CoA", "Tetracosenoyl-CoA" ] }, { "compound_id": "C16533", "inchi": "InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-", "name": "13,16-Docosadienoic acid", "names": [ "(13Z,16Z)-Docosa-13,16-dienoic acid", "13,16-Docosadienoic acid" ] }, { "compound_id": "C16534", "inchi": "InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/b4-3+,7-6+,10-9+", "name": "13,16,19-Docosatrienoic acid", "names": [ "(13E,16E,19E)-Docosa-13,16,19-trienoic acid", "13,16,19-Docosatrienoic acid" ] }, { "compound_id": "C16535", "inchi": "InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)", "name": "Nonadecanoic acid", "names": [ "Nonadecanoic acid", "Nonadecylic acid" ] }, { "compound_id": "C16536", "inchi": "InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8+", "name": "9E-Heptadecenoic acid", "names": [ "(E)-Heptadec-9-enoic acid", "9E-Heptadecenoic acid" ] }, { "compound_id": "C16537", "inchi": "InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)", "name": "Pentadecanoic acid", "names": [ "Pentadecanoic acid", "Pentadecylic acid", "n-Pentadecanoic acid" ] }, { "compound_id": "C16538", "inchi": "InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1", "name": "1,5-Anhydro-D-mannitol", "names": [ "1,5-Anhydro-D-mannitol" ] }, { "compound_id": "C16540", "inchi": "InChI=1S/C35H36N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-13,16,20,31,40H,1,8-10,14H2,2-6H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t16-,20-,31+;/m0./s1", "name": "7-Hydroxychlorophyllide a", "names": [ "7-Hydroxychlorophyllide a" ] }, { "compound_id": "C16541", "inchi": "InChI=1S/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/t16-,20-,31+;/m0./s1", "name": "Chlorophyllide b", "names": [ "Chlorophyllide b" ] }, { "compound_id": "C16542", "inchi": "InChI=1S/C33H38N4O8/c1-3-21-22-15-20(45-32(42)36-13-10-19(11-14-36)34-12-6-5-7-28(38)39)8-9-26(22)35-29-23(21)17-37-27(29)16-25-24(30(37)40)18-44-31(41)33(25,43)4-2/h8-9,15-16,19,34,43H,3-7,10-14,17-18H2,1-2H3,(H,38,39)/t33-/m0/s1", "name": "APC", "names": [ "APC" ] }, { "compound_id": "C16543", "inchi": "InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s1", "name": "NPC", "names": [ "NPC" ] }, { "compound_id": "C16544", "inchi": "InChI=1S/C26H29NO2/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)3/h4-17,20,28H,18-19H2,1-3H3/b26-25-", "name": "alpha-Hydroxytamoxifen", "names": [ "alpha-Hydroxytamoxifen" ] }, { "compound_id": "C16545", "inchi": "InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-", "name": "Tamoxifen N-oxide", "names": [ "Tamoxifen N-oxide" ] }, { "compound_id": "C16546", "inchi": "InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-", "name": "N-Desmethyltamoxifen", "names": [ "N-Desmethyltamoxifen" ] }, { "compound_id": "C16547", "inchi": "InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-", "name": "4-Hydroxy-N-desmethyltamoxifen", "names": [ "4-Hydroxy-N-desmethyltamoxifen", "Endoxifen" ] }, { "compound_id": "C16548", "inchi": "InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-", "name": "N,N-Didesmethyltamoxifen", "names": [ "N,N-Didesmethyltamoxifen" ] }, { "compound_id": "C16549", "inchi": "InChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-", "name": "alpha-Hydroxy-N-desmethyltamoxifen", "names": [ "alpha-Hydroxy-N-desmethyltamoxifen" ] }, { "compound_id": "C16550", "inchi": "InChI=1S/C5H12ClN2O2P/c6-2-4-8-11(9)7-3-1-5-10-11/h1-5H2,(H2,7,8,9)", "name": "Dechloroethylcyclophosphamide", "names": [ "3-Dechloroethylifosfamide", "Dechloroethylcyclophosphamide" ] }, { "compound_id": "C16551", "inchi": "InChI=1S/C7H17Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h12H,1-7H2,(H2,10,13)", "name": "Alcophosphamide", "names": [ "Alcophosphamide" ] }, { "compound_id": "C16552", "inchi": "InChI=1S/C4H9Cl2N/c5-1-3-7-4-2-6/h7H,1-4H2", "name": "Nornitrogen mustard", "names": [ "Nornitrogen mustard" ] }, { "compound_id": "C16553", "inchi": "InChI=1S/C7H15Cl2N2O3P/c8-2-4-10-15(13)11(5-3-9)7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)", "name": "4-Hydroxyifosfamide", "names": [ "4-Hydroxyifosfamide" ] }, { "compound_id": "C16554", "inchi": "InChI=1S/C7H13Cl2N2O3P/c8-2-4-10-15(13)11(5-3-9)7(12)1-6-14-15/h1-6H2,(H,10,13)", "name": "4-Ketoifosfamide", "names": [ "4-Ketoifosfamide" ] }, { "compound_id": "C16555", "inchi": "InChI=1S/C5H12ClN2O2P/c6-2-4-8-3-1-5-10-11(8,7)9/h1-5H2,(H2,7,9)", "name": "2-Dechloroethylifosfamide", "names": [ "2-Dechloroethylifosfamide" ] }, { "compound_id": "C16556", "inchi": "InChI=1S/C7H15Cl2N2O3P/c8-2-4-10-15(13,11-5-3-9)14-7-1-6-12/h6H,1-5,7H2,(H2,10,11,13)", "name": "Aldoifosfamide", "names": [ "Aldoifosfamide" ] }, { "compound_id": "C16557", "inchi": "InChI=1S/C7H15Cl2N2O4P/c8-2-4-10-16(14,11-5-3-9)15-6-1-7(12)13/h1-6H2,(H,12,13)(H2,10,11,14)", "name": "Carboxyifosfamide", "names": [ "Carboxyifosfamide" ] }, { "compound_id": "C16558", "inchi": "InChI=1S/C7H17Cl2N2O3P/c8-2-4-10-15(13,11-5-3-9)14-7-1-6-12/h12H,1-7H2,(H2,10,11,13)", "name": "Alcoifosfamide", "names": [ "Alcoifosfamide" ] }, { "compound_id": "C16559", "inchi": "InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)", "name": "Isophosphamide mustard", "names": [ "Isophosphamide mustard" ] }, { "compound_id": "C16560", "inchi": "InChI=1S/C14H22N2O2/c1-5-16(6-2)9-13(18)15-14-10(3)7-8-12(17)11(14)4/h7-8,17H,5-6,9H2,1-4H3,(H,15,18)", "name": "3-Hydroxylidocaine", "names": [ "3-Hydroxylidocaine" ] }, { "compound_id": "C16561", "inchi": "InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15)", "name": "Monoethylglycinexylidide", "names": [ "Monoethylglycinexylidide" ] }, { "compound_id": "C16562", "inchi": "InChI=1S/C20H41N7O5S/c21-7-3-10-23-8-1-2-9-24-11-4-12-25-18(29)13-26-19(30)16(14-33)27-17(28)6-5-15(22)20(31)32/h15-16,23-24,33H,1-14,21-22H2,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/t15-,16-/m0/s1", "name": "Glutathionylspermine", "names": [ "Glutathionylspermine" ] }, { "compound_id": "C16563", "inchi": "InChI=1S/C30H56N10O10S2/c31-19(29(47)48)5-7-23(41)39-21(17-51)27(45)37-15-25(43)35-13-3-11-33-9-1-2-10-34-12-4-14-36-26(44)16-38-28(46)22(18-52)40-24(42)8-6-20(32)30(49)50/h19-22,33-34,51-52H,1-18,31-32H2,(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,41)(H,40,42)(H,47,48)(H,49,50)/t19-,20-,21-,22-/m0/s1", "name": "Bis(glutathionyl)spermine", "names": [ "Bis(glutathionyl)spermine", "N1,N12-Bis(glutathionyl)spermine" ] }, { "compound_id": "C16564", "inchi": "InChI=1S/C30H54N10O10S2/c31-19(29(47)48)5-7-23(41)39-21-17-51-52-18-22(40-24(42)8-6-20(32)30(49)50)28(46)38-16-26(44)36-14-4-12-34-10-2-1-9-33-11-3-13-35-25(43)15-37-27(21)45/h19-22,33-34H,1-18,31-32H2,(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,41)(H,40,42)(H,47,48)(H,49,50)/t19-,20-,21-,22-/m0/s1", "name": "Bis(glutathionyl)spermine disulfide", "names": [ "Bis(glutathionyl)spermine disulfide" ] }, { "compound_id": "C16565", "inchi": "InChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2", "name": "Aminopropylcadaverine", "names": [ "Aminopropylcadaverine" ] }, { "compound_id": "C16566", "inchi": "InChI=1S/C18H36N6O5S/c19-7-2-1-3-8-21-9-4-10-22-16(26)11-23-17(27)14(12-30)24-15(25)6-5-13(20)18(28)29/h13-14,21,30H,1-12,19-20H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t13-,14-/m0/s1", "name": "Glutathionylaminopropylcadaverine", "names": [ "Glutathionylaminopropylcadaverine" ] }, { "compound_id": "C16567", "inchi": "InChI=1S/C28H51N9O10S2/c29-17(27(44)45)5-7-21(38)36-19(15-48)25(42)34-13-23(40)32-11-3-1-2-9-31-10-4-12-33-24(41)14-35-26(43)20(16-49)37-22(39)8-6-18(30)28(46)47/h17-20,31,48-49H,1-16,29-30H2,(H,32,40)(H,33,41)(H,34,42)(H,35,43)(H,36,38)(H,37,39)(H,44,45)(H,46,47)/t17-,18-,19-,20-/m0/s1", "name": "Homotrypanothione", "names": [ "Homotrypanothione", "N1,N9-Bis(glutathionyl)aminopropylcadaverine" ] }, { "compound_id": "C16568", "inchi": "InChI=1S/C28H49N9O10S2/c29-17(27(44)45)5-7-21(38)36-19-15-48-49-16-20(37-22(39)8-6-18(30)28(46)47)26(43)35-14-24(41)33-12-4-10-31-9-2-1-3-11-32-23(40)13-34-25(19)42/h17-20,31H,1-16,29-30H2,(H,32,40)(H,33,41)(H,34,42)(H,35,43)(H,36,38)(H,37,39)(H,44,45)(H,46,47)/t17-,18-,19-,20-/m0/s1", "name": "Homotrypanothione disulfide", "names": [ "Homotrypanothione disulfide" ] }, { "compound_id": "C16569", "inchi": "InChI=1S/C10H14N2O/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)", "name": "Glycinexylidide", "names": [ "GX", "Glycinexylidide" ] }, { "compound_id": "C16570", "inchi": "InChI=1S/C8H11NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,9H2,1-2H3", "name": "4-Hydroxy-2,6-dimethylaniline", "names": [ "3,5-Dimethyl-4-aminophenol", "4-Hydroxy-2,6-dimethylaniline" ] }, { "compound_id": "C16571", "inchi": "InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)", "name": "2-Amino-3-methylbenzoate", "names": [ "2-Amino-3-methylbenzoate" ] }, { "compound_id": "C16572", "inchi": "InChI=1S/C12H18N2O2/c1-4-13-7-11(16)14-12-8(2)5-6-10(15)9(12)3/h5-6,13,15H,4,7H2,1-3H3,(H,14,16)", "name": "3-Hydroxymonoethylglycinexylidide", "names": [ "3-Hydroxymonoethylglycinexylidide" ] }, { "compound_id": "C16573", "inchi": "InChI=1S/C17H26N2O2/c1-4-10-19-11-6-5-7-14(19)17(21)18-16-12(2)8-9-15(20)13(16)3/h8-9,14,20H,4-7,10-11H2,1-3H3,(H,18,21)/t14-/m0/s1", "name": "3'-Hydroxyropivacaine", "names": [ "3'-Hydroxyropivacaine" ] }, { "compound_id": "C16574", "inchi": "InChI=1S/C17H26N2O2/c1-4-8-19-9-6-5-7-15(19)17(21)18-16-12(2)10-14(20)11-13(16)3/h10-11,15,20H,4-9H2,1-3H3,(H,18,21)/t15-/m0/s1", "name": "4'-Hydroxyropivacaine", "names": [ "4'-Hydroxyropivacaine" ] }, { "compound_id": "C16575", "inchi": "InChI=1S/C14H20N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1", "name": "(S)-2',6'-Pipecoloxylidide", "names": [ "(S)-2',6'-Pipecoloxylidide" ] }, { "compound_id": "C16576", "inchi": "InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10-,11+,12-,16-,17-/m0/s1", "name": "Norcodeine", "names": [ "N-Desmethylcodeine", "Norcodeine" ] }, { "compound_id": "C16577", "inchi": "InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14?,16-,17-,18+,20-,21-,23?,24-/m0/s1", "name": "Codeine-6-glucuronide", "names": [ "Codeine-6-glucuronide" ] }, { "compound_id": "C16578", "inchi": "InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13?,15-,16-,17+,19-,20-,22?,23-/m0/s1", "name": "Morphine-6-glucuronide", "names": [ "Morphine-6-glucuronide" ] }, { "compound_id": "C16579", "inchi": "InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/b4-3+", "name": "trans-Homoaconitate", "names": [ "(E)-1,2,4-But-1-enetricarboxylic acid", "trans-Homoaconitate" ] }, { "compound_id": "C16581", "inchi": null, "name": "D-threo-Aldono-1,5-lactone", "names": [ "(2S,3R)-Aldono-1,5-lactone", "D-threo-Aldono-1,5-lactone" ] }, { "compound_id": "C16582", "inchi": "InChI=1S/C11H14N2O5/c12-9(14)17-6-11(16,7-18-10(13)15)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,14)(H2,13,15)", "name": "2-Hydroxyfelbamate", "names": [ "2-Hydroxyfelbamate" ] }, { "compound_id": "C16583", "inchi": "InChI=1S/C8H12O7/c9-5(10)2-1-3-8(15,7(13)14)4-6(11)12/h15H,1-4H2,(H,9,10)(H,11,12)(H,13,14)/t8-/m1/s1", "name": "(R)-(Homo)2-citrate", "names": [ "(R)-(Homo)2-citrate" ] }, { "compound_id": "C16584", "inchi": "InChI=1S/C11H14N2O5/c12-10(15)17-5-8(6-18-11(13)16)7-1-3-9(14)4-2-7/h1-4,8,14H,5-6H2,(H2,12,15)(H2,13,16)", "name": "p-Hydroxyfelbamate", "names": [ "p-Hydroxyfelbamate" ] }, { "compound_id": "C16586", "inchi": "InChI=1S/C10H13NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13)", "name": "2-Phenyl-1,3-propanediol monocarbamate", "names": [ "2-Phenyl-1,3-propanediol monocarbamate" ] }, { "compound_id": "C16587", "inchi": "InChI=1S/C10H11NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-6,9H,7H2,(H2,11,13)", "name": "3-Carbamoyl-2-phenylpropionaldehyde", "names": [ "3-Carbamoyl-2-phenylpropionaldehyde" ] }, { "compound_id": "C16588", "inchi": "InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)", "name": "2-Oxopimelate", "names": [ "2-Oxoheptanedionic acid", "2-Oxopimelate", "alpha-Ketopimelate" ] }, { "compound_id": "C16589", "inchi": "InChI=1S/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13)", "name": "2-Oxosuberate", "names": [ "2-Oxooctanedionic acid", "2-Oxosuberate", "alpha-Ketosuberate" ] }, { "compound_id": "C16590", "inchi": "InChI=1S/C7H12O3/c8-6-4-2-1-3-5-7(9)10/h6H,1-5H2,(H,9,10)", "name": "7-Oxoheptanoic acid", "names": [ "7-Ketoheptanoic acid", "7-Oxoheptanoic acid" ] }, { "compound_id": "C16591", "inchi": "InChI=1S/C10H11NO4/c11-10(14)15-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13)", "name": "3-Carbamoyl-2-phenylpropionic acid", "names": [ "3-Carbamoyl-2-phenylpropionic acid" ] }, { "compound_id": "C16592", "inchi": "InChI=1S/C9H8O/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H2", "name": "Atropaldehyde", "names": [ "2-Phenylpropenal", "Atropaldehyde" ] }, { "compound_id": "C16593", "inchi": "InChI=1S/C7H14O2S/c8-7(9)5-3-1-2-4-6-10/h10H,1-6H2,(H,8,9)", "name": "7-Mercaptoheptanoic acid", "names": [ "7-Mercaptoheptanoic acid" ] }, { "compound_id": "C16594", "inchi": "InChI=1S/C11H21NO4S/c1-8(13)10(11(15)16)12-9(14)6-4-2-3-5-7-17/h8,10,13,17H,2-7H2,1H3,(H,12,14)(H,15,16)/t8-,10+/m1/s1", "name": "7-Mercaptoheptanoylthreonine", "names": [ "7-Mercaptoheptanoylthreonine" ] }, { "compound_id": "C16595", "inchi": "InChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)", "name": "4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one", "names": [ "4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one" ] }, { "compound_id": "C16596", "inchi": "InChI=1S/C10H9NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)", "name": "5-Phenyl-1,3-oxazinane-2,4-dione", "names": [ "5-Phenyl-1,3-oxazinane-2,4-dione" ] }, { "compound_id": "C16597", "inchi": "InChI=1S/C8H12O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h4,6,11H,1-3H2,(H,9,10)(H,12,13)(H,14,15)/t4-,6+/m0/s1", "name": "1-Hydroxypentane-1,2,5-tricarboxylate", "names": [ "1-Hydroxypentane-1,2,5-tricarboxylate" ] }, { "compound_id": "C16598", "inchi": "InChI=1S/C9H14O7/c10-6(11)3-1-2-4-9(16,8(14)15)5-7(12)13/h16H,1-5H2,(H,10,11)(H,12,13)(H,14,15)/t9-/m1/s1", "name": "(R)-(Homo)3-citrate", "names": [ "(R)-(Homo)3-citrate" ] }, { "compound_id": "C16600", "inchi": "InChI=1S/C9H14O7/c10-6(11)4-2-1-3-5(8(13)14)7(12)9(15)16/h5,7,12H,1-4H2,(H,10,11)(H,13,14)(H,15,16)/t5-,7+/m0/s1", "name": "1-Hydroxyhexane-1,2,6-tricarboxylate", "names": [ "1-Hydroxyhexane-1,2,6-tricarboxylate" ] }, { "compound_id": "C16601", "inchi": "InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)", "name": "2-Hydroxycarbamazepine", "names": [ "2-Hydroxycarbamazepine" ] }, { "compound_id": "C16602", "inchi": "InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)", "name": "3-Hydroxycarbamazepine", "names": [ "3-Hydroxycarbamazepine" ] }, { "compound_id": "C16603", "inchi": "InChI=1S/C15H12N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8,18-19H,(H2,16,20)", "name": "2,3-Dihydroxycarbamazepine", "names": [ "2,3-Dihydroxycarbamazepine" ] }, { "compound_id": "C16604", "inchi": "InChI=1S/C14H11NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9,15-16H", "name": "2-Hydroxyiminostilbene", "names": [ "2-Hydroxyiminostilbene" ] }, { "compound_id": "C16605", "inchi": "InChI=1S/C14H9NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9H", "name": "2H-Dibenz[b,f]azepin-2-one", "names": [ "2H-Dibenz[b,f]azepin-2-one" ] }, { "compound_id": "C16606", "inchi": "InChI=1S/C15H10N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8H,(H2,16,20)", "name": "Carbamazepine-o-quinone", "names": [ "Carbamazepine-o-quinone" ] }, { "compound_id": "C16607", "inchi": "InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3", "name": "Citalopram N-oxide", "names": [ "Citalopram N-oxide" ] }, { "compound_id": "C16608", "inchi": "InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3", "name": "Demethylcitalopram", "names": [ "Demethylcitalopram" ] }, { "compound_id": "C16609", "inchi": "InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2", "name": "Didemethylcitalopram", "names": [ "Didemethylcitalopram" ] }, { "compound_id": "C16610", "inchi": "InChI=1S/C18H14FNO3/c19-15-4-2-14(3-5-15)18(8-7-17(21)22)16-6-1-12(10-20)9-13(16)11-23-18/h1-6,9H,7-8,11H2,(H,21,22)", "name": "Citalopram propionic acid", "names": [ "Citalopram propionic acid" ] }, { "compound_id": "C16611", "inchi": "InChI=1S/C19H18FNO2/c20-17-6-4-16(5-7-17)19(9-1-2-10-22)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,1-2,9-10,13H2", "name": "Citalopram alcohol", "names": [ "Citalopram alcohol" ] }, { "compound_id": "C16612", "inchi": "InChI=1S/C18H14FNO2/c19-16-5-3-15(4-6-16)18(8-1-9-21)17-7-2-13(11-20)10-14(17)12-22-18/h2-7,9-10H,1,8,12H2", "name": "Citalopram aldehyde", "names": [ "Citalopram aldehyde" ] }, { "compound_id": "C16613", "inchi": "InChI=1S/C5H4N4O2S/c10-4-6-1-2(7-4)8-5(11)9-3(1)12/h(H4,6,7,8,9,10,11,12)", "name": "6-Thiourate", "names": [ "6-Thiourate", "6-Thiouric acid" ] }, { "compound_id": "C16614", "inchi": "InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)", "name": "6-Methylmercaptopurine", "names": [ "6-Methylmercaptopurine", "Thiopurine S-methylether" ] }, { "compound_id": "C16615", "inchi": "InChI=1S/C11H15N4O7PS/c1-24-10-6-9(12-3-13-10)15(4-14-6)11-8(17)7(16)5(22-11)2-21-23(18,19)20/h3-5,7-8,11,16-17H,2H2,1H3,(H2,18,19,20)/t5-,7-,8-,11-/m1/s1", "name": "6-Methylthiopurine 5'-monophosphate ribonucleotide", "names": [ "6-Methylthioinosine-5'-monophosphate", "6-Methylthiopurine 5'-monophosphate ribonucleotide" ] }, { "compound_id": "C16616", "inchi": "InChI=1S/C10H14N4O10P2S/c15-6-4(1-22-26(20,21)24-25(17,18)19)23-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,11,12,27)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1", "name": "6-Mercaptopurine ribonucleoside 5'-diphosphate", "names": [ "6-Mercaptopurine ribonucleoside 5'-diphosphate", "6-Thioinosine-5'-diphosphate" ] }, { "compound_id": "C16617", "inchi": "InChI=1S/C10H15N4O13P3S/c15-6-4(1-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)31/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,22,23)(H,11,12,31)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1", "name": "6-Mercaptopurine ribonucleoside triphosphate", "names": [ "6-Mercaptopurine ribonucleoside triphosphate", "6-Thioinosine-5'-triphosphate" ] }, { "compound_id": "C16618", "inchi": "InChI=1S/C10H13N4O8PS/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-2-11-4-7(14)12-10(17)13-8(4)24/h2-3,5-6,9,15-16H,1H2,(H2,18,19,20)(H2,12,13,17,24)/t3-,5-,6-,9-/m1/s1", "name": "6-Thioxanthine 5'-monophosphate", "names": [ "6-Thioxanthine 5'-monophosphate" ] }, { "compound_id": "C16619", "inchi": "InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1", "name": "6-Thioguanosine monophosphate", "names": [ "6-Thioguanosine monophosphate" ] }, { "compound_id": "C16620", "inchi": "InChI=1S/C11H16N5O7PS/c1-25-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1", "name": "6-Methylthioguanosine monophosphate", "names": [ "6-Methylthioguanosine monophosphate" ] }, { "compound_id": "C16621", "inchi": "InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3", "name": "1-Methyl-4-nitroimidazole", "names": [ "1-Methyl-4-nitroimidazole" ] }, { "compound_id": "C16622", "inchi": "InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)", "name": "N,N'-Diacetylhydrazine", "names": [ "Diacetylhydrazine", "N,N'-Diacetylhydrazine" ] }, { "compound_id": "C16623", "inchi": "InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-1-3-9-4-2-6/h1-4H,5H2,(H,10,13)(H,11,12)", "name": "Isonicotinylglycine", "names": [ "Isonicotinuric acid", "Isonicotinylglycine" ] }, { "compound_id": "C16624", "inchi": "InChI=1S/C9H9N3O3/c1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7/h2-5H,1H3,(H,12,13)(H,14,15)/b11-6+", "name": "Isoniazid pyruvate", "names": [ "Isoniazid pyruvate" ] }, { "compound_id": "C16625", "inchi": "InChI=1S/C11H11N3O5/c15-9(16)2-1-8(11(18)19)13-14-10(17)7-3-5-12-6-4-7/h3-6H,1-2H2,(H,14,17)(H,15,16)(H,18,19)/b13-8+", "name": "Isoniazid alpha-ketoglutaric acid", "names": [ "Isoniazid alpha-ketoglutaric acid" ] }, { "compound_id": "C16626", "inchi": "InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)", "name": "Albendazole sulfone", "names": [ "Albendazole sulfone" ] }, { "compound_id": "C16627", "inchi": "InChI=1S/C10H13N3O2S/c1-2-5-16(14,15)7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)", "name": "Albendazole-2-aminosulfone", "names": [ "Albendazole-2-aminosulfone" ] }, { "compound_id": "C16628", "inchi": "InChI=1S/C12H15N3O5S/c1-7(16)6-21(18,19)8-3-4-9-10(5-8)14-11(13-9)15-12(17)20-2/h3-5,7,16H,6H2,1-2H3,(H2,13,14,15,17)", "name": "Albendazole-beta-hydroxysulphone", "names": [ "Albendazole-beta-hydroxysulphone" ] }, { "compound_id": "C16629", "inchi": "InChI=1S/C12H15N3O5S/c1-20-12(17)15-11-13-9-4-3-8(7-10(9)14-11)21(18,19)6-2-5-16/h3-4,7,16H,2,5-6H2,1H3,(H2,13,14,15,17)", "name": "Albendazole-gamma-hydroxysulphone", "names": [ "Albendazole-gamma-hydroxysulphone" ] }, { "compound_id": "C16630", "inchi": "InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)", "name": "5,6-Dihydro-5-fluorouracil", "names": [ "5,6-Dihydro-5-fluorouracil", "5-Fluorodihydrouracil" ] }, { "compound_id": "C16631", "inchi": "InChI=1S/C4H7FN2O3/c5-2(3(8)9)1-7-4(6)10/h2H,1H2,(H,8,9)(H3,6,7,10)", "name": "alpha-Fluoro-beta-ureidopropionic acid", "names": [ "2-Fluoro-3-ureidopropionic acid", "alpha-Fluoro-beta-ureidopropionic acid" ] }, { "compound_id": "C16632", "inchi": "InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)", "name": "alpha-Fluoro-beta-alanine", "names": [ "3-Amino-2-fluoropropionic acid", "alpha-Fluoro-beta-alanine" ] }, { "compound_id": "C16633", "inchi": "InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1", "name": "5-Fluorouridine", "names": [ "5-Fluorouridine" ] }, { "compound_id": "C16634", "inchi": "InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1", "name": "5-Fluorouridine monophosphate", "names": [ "5-Fluorouridine monophosphate" ] }, { "compound_id": "C16635", "inchi": "InChI=1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1", "name": "5'-Deoxy-5-fluorocytidine", "names": [ "5'-Deoxy-5-fluorocytidine" ] }, { "compound_id": "C16636", "inchi": null, "name": "tRNA(Sec)", "names": [ "tRNA(Sec)" ] }, { "compound_id": "C16637", "inchi": "InChI=1S/C5H11O7P/c1-2-3(6)4(7)5(11-2)12-13(8,9)10/h2-7H,1H3,(H2,8,9,10)/t2-,3-,4-,5-/m1/s1", "name": "5-Deoxyribose-1-phosphate", "names": [ "5-Deoxy-alpha-D-ribose-1-phosphate", "5-Deoxyribose-1-phosphate" ] }, { "compound_id": "C16638", "inchi": null, "name": "O-Phosphoseryl-tRNA(Sec)", "names": [ "O-Phosphoseryl-tRNA(Sec)" ] }, { "compound_id": "C16639", "inchi": "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1", "name": "beta-D-Ribofuranose", "names": [ "beta-D-Ribofuranose" ] }, { "compound_id": "C16640", "inchi": "InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h12,14H,3-11H2,1-2H3/t12-/m0/s1", "name": "CAI-1", "names": [ "CAI-1", "Cholerae autoinducer-1" ] }, { "compound_id": "C16641", "inchi": "InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1", "name": "Irinotecan", "names": [ "Irinotecan" ] }, { "compound_id": "C16643", "inchi": "InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1", "name": "Morphine-3-glucuronide", "names": [ "Morphine-3-glucuronide" ] }, { "compound_id": "C16644", "inchi": "InChI=1S/C10H14O4/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5,8,11-12H,6H2,1-2H3", "name": "1-(3,4-Dimethoxyphenyl)ethane-1,2-diol", "names": [ "1-(3,4-Dimethoxyphenyl)ethane-1,2-diol" ] }, { "compound_id": "C16645", "inchi": "InChI=1S/C43H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,30-32,36-38,42,53-54H,4-7,10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-/t32-,36-,37-,38?,42-/m1/s1", "name": "(13Z,16Z)-Docosadi-13,16-enoyl-CoA", "names": [ "(13Z,16Z)-Docosadi-13,16-enoyl-CoA" ] }, { "compound_id": "C16647", "inchi": "InChI=1S/C6H13NO2/c1-3-7(4-2)5-6(8)9/h3-5H2,1-2H3,(H,8,9)", "name": "N,N-Diethylglycine", "names": [ "N,N-Diethylglycine" ] }, { "compound_id": "C16648", "inchi": "InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)", "name": "2-n-Propyl-4-pentenoic acid", "names": [ "2-n-Propyl-4-pentenoic acid", "4-En-valproic acid", "4-Ene-VPA" ] }, { "compound_id": "C16649", "inchi": "InChI=1S/C8H16O3/c1-3-4-7(8(10)11)5-6(2)9/h6-7,9H,3-5H2,1-2H3,(H,10,11)", "name": "4-Hydroxyvalproic acid", "names": [ "2-n-Propyl-4-hydroxypentanoic acid", "4-Hydroxyvalproic acid", "4-OH-VPA" ] }, { "compound_id": "C16650", "inchi": "InChI=1S/C8H16O3/c1-2-4-7(8(10)11)5-3-6-9/h7,9H,2-6H2,1H3,(H,10,11)", "name": "5-Hydroxyvalproic acid", "names": [ "2-n-Propyl-5-hydroxypentanoic acid", "5-Hydroxyvalproic acid", "5-OH-VPA" ] }, { "compound_id": "C16651", "inchi": "InChI=1S/C8H16O3/c1-3-5-6(8(10)11)7(9)4-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)", "name": "3-Hydroxyvalproic acid", "names": [ "2-n-Propyl-3-hydroxypentanoic acid", "3-Hydroxyvalproic acid", "3-OH-VPA" ] }, { "compound_id": "C16652", "inchi": "InChI=1S/C8H14O3/c1-3-5-6(8(10)11)7(9)4-2/h6H,3-5H2,1-2H3,(H,10,11)", "name": "3-Oxovalproic acid", "names": [ "2-n-Propyl-3-oxopentanoic acid", "3-Keto-VPA", "3-Oxovalproic acid" ] }, { "compound_id": "C16653", "inchi": "InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+", "name": "2-n-Propyl-2-pentenoic acid", "names": [ "2-En-valproic acid", "2-Ene-VPA", "2-n-Propyl-2-pentenoic acid" ] }, { "compound_id": "C16654", "inchi": "InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3-", "name": "2-n-Propyl-3-pentenoic acid", "names": [ "2-n-Propyl-3-pentenoic acid", "3-En-valproic acid", "3-Ene-VPA" ] }, { "compound_id": "C16655", "inchi": "InChI=1S/C8H14O3/c1-3-4-7(8(10)11)5-6(2)9/h7H,3-5H2,1-2H3,(H,10,11)", "name": "2-n-Propyl-4-oxopentanoic acid", "names": [ "2-n-Propyl-4-oxopentanoic acid", "4-Keto-VPA", "4-Oxovalproic acid" ] }, { "compound_id": "C16656", "inchi": "InChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3,5H,1,4,6H2,2H3,(H,9,10)/b7-5+", "name": "2-Propyl-2,4-pentadienoic acid", "names": [ "2,4-Diene-VPA", "2-Propyl-2,4-pentadienoic acid" ] }, { "compound_id": "C16657", "inchi": "InChI=1S/C7H12O4/c1-2-3-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)", "name": "2-Propylsuccinic acid", "names": [ "2-PSA", "2-Propylsuccinic acid" ] }, { "compound_id": "C16658", "inchi": "InChI=1S/C8H14O4/c1-2-3-6(8(11)12)4-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)", "name": "2-Propylglutaric acid", "names": [ "2-PGA", "2-Propylglutaric acid" ] }, { "compound_id": "C16659", "inchi": "InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4+", "name": "2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine", "names": [ "2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine", "EDDP" ] }, { "compound_id": "C16660", "inchi": "InChI=1S/C19H21N/c1-3-18-19(14-15(2)20-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3", "name": "2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline", "names": [ "2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline", "EMDP" ] }, { "compound_id": "C16661", "inchi": "InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3/t17-,21-/m0/s1", "name": "L-alpha-Acetyl-N-normethadol", "names": [ "L-alpha-Acetyl-N-normethadol", "nor-LAAM" ] }, { "compound_id": "C16662", "inchi": "InChI=1S/C21H27NO2/c1-4-20(24-17(3)23)21(15-16(2)22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16,20H,4,15,22H2,1-3H3/t16-,20-/m0/s1", "name": "L-alpha-Acetyl-N,N-dinormethadol", "names": [ "L-alpha-Acetyl-N,N-dinormethadol", "dinor-LAAM" ] }, { "compound_id": "C16663", "inchi": null, "name": "Tryparedoxin", "names": [ "Tryparedoxin" ] }, { "compound_id": "C16664", "inchi": null, "name": "Tryparedoxin disulfide", "names": [ "Tryparedoxin disulfide" ] }, { "compound_id": "C16665", "inchi": "InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)", "name": "12-Methyltetradecanoic acid", "names": [ "12-Methyltetradecanoic acid" ] }, { "compound_id": "C16666", "inchi": "InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3", "name": "Vanillylamine", "names": [ "Vanillylamine" ] }, { "compound_id": "C16667", "inchi": "InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1", "name": "1,2-Dimyristyl-sn-glycerol", "names": [ "1,2-Dimyristyl-sn-glycerol", "1,2-Ditetradecanoyl-sn-glycerol" ] }, { "compound_id": "C16669", "inchi": null, "name": "Polynucleotide 5'-diphosphate", "names": [ "Polynucleotide 5'-diphosphate" ] }, { "compound_id": "C16671", "inchi": "InChI=1S/C6H7NO2/c8-6(9)5-2-1-3-7-4-5/h1-2,4-5H,3H2,(H,8,9)", "name": "3,6-Dihydronicotinic acid", "names": [ "3,6-Dihydronicotinic acid" ] }, { "compound_id": "C16672", "inchi": "InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13+/m0/s1", "name": "Benzylpenicilloic acid", "names": [ "Benzylpenicilloic acid" ] }, { "compound_id": "C16673", "inchi": "InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)", "name": "Isoglutamine", "names": [ "4,5-Diamino-5-oxopentanoic acid", "DL-Isoglutamine", "Isoglutamine" ] }, { "compound_id": "C16674", "inchi": "InChI=1S/C6H10N2O4/c7-6(12)4(8-3-9)1-2-5(10)11/h3-4H,1-2H2,(H2,7,12)(H,8,9)(H,10,11)", "name": "Formylisoglutamine", "names": [ "DL-Formylisoglutamine", "Formylisoglutamine" ] }, { "compound_id": "C16675", "inchi": "InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)", "name": "7-Aminomethyl-7-deazaguanine", "names": [ "7-Aminomethyl-7-carbaguanine", "7-Aminomethyl-7-deazaguanine" ] }, { "compound_id": "C16676", "inchi": null, "name": "N6-Alkylaminopurine-9-beta-D-glucoside", "names": [ "N6-Alkylaminopurine-9-beta-D-glucoside" ] }, { "compound_id": "C16677", "inchi": "InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+", "name": "all-trans-4-Hydroxyretinoic acid", "names": [ "all-trans-4-Hydroxyretinoic acid" ] }, { "compound_id": "C16678", "inchi": "InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+", "name": "all-trans-4-Oxoretinoic acid", "names": [ "all-trans-4-Oxoretinoic acid" ] }, { "compound_id": "C16679", "inchi": "InChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(14-21)9-6-12-20(18,3)4/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/b8-5+,11-10+,15-7+,16-13+", "name": "all-trans-18-Hydroxyretinoic acid", "names": [ "all-trans-18-Hydroxyretinoic acid" ] }, { "compound_id": "C16680", "inchi": "InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/b9-6+,13-10+,15-8+,16-14+", "name": "all-trans-5,6-Epoxyretinoic acid", "names": [ "all-trans-5,6-Epoxy-5,6-dihydroretinoic acid", "all-trans-5,6-Epoxyretinoic acid" ] }, { "compound_id": "C16681", "inchi": "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+", "name": "9-cis-Retinal", "names": [ "9-cis-Retinal" ] }, { "compound_id": "C16682", "inchi": "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+", "name": "9-cis-Retinol", "names": [ "9-cis-Retinol" ] }, { "compound_id": "C16683", "inchi": "InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+", "name": "4-Oxoretinol", "names": [ "4-Oxoretinol" ] }, { "compound_id": "C16684", "inchi": null, "name": "N-Acetoxyarylamine", "names": [ "N-Acetoxyarylamine" ] }, { "compound_id": "C16685", "inchi": null, "name": "N-Hydroxyarylamine", "names": [ "N-Hydroxyarylamine" ] }, { "compound_id": "C16687", "inchi": "InChI=1S/C48H84O47P2/c49-1-9-17(54)26(63)33(70)42(83-9)92-40-31(68)23(60)14(89-48(40)95-97(77,78)80-7-15-21(58)25(62)32(69)41(74)82-15)6-79-46-38(29(66)19(56)11(3-51)86-46)93-47-39(30(67)20(57)12(4-52)87-47)91-44-36(73)37(24(61)13(5-53)84-44)90-43-34(71)28(65)22(59)16(88-43)8-81-96(75,76)94-45-35(72)27(64)18(55)10(2-50)85-45/h9-74H,1-8H2,(H,75,76)(H,77,78)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37?,38?,39?,40?,41+,42?,43?,44?,45-,46+,47?,48-/m1/s1", "name": "Phosphomannan mannosephosphate", "names": [ "Phosphomannan mannosephosphate" ] }, { "compound_id": "C16688", "inchi": "InChI=1S/C12H23O14P/c13-1-4-7(16)10(19)12(3-14,25-4)26-11-9(18)8(17)6(15)5(24-11)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1", "name": "Sucrose 6-phosphate", "names": [ "6-O-Phosphonosucrose", "6-Phosphosucrose", "Sucrose 6-phosphate", "beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside" ] }, { "compound_id": "C16689", "inchi": "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-", "name": "poly-cis-Polyprenyl diphosphate longer by one C5 unit", "names": [ "poly-cis-Polyprenyl diphosphate longer by one C5 unit" ] }, { "compound_id": "C16690", "inchi": null, "name": "5-L-Glutamyl-D-glutamyl-peptide", "names": [ "5-L-Glutamyl-D-glutamyl-peptide", "gamma-L-Glutamyl-D-glutamyl-peptide" ] }, { "compound_id": "C16691", "inchi": null, "name": "DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine", "names": [ "DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine" ] }, { "compound_id": "C16692", "inchi": "InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6+,7+,9+,10+/m0/s1", "name": "Mannopine", "names": [ "Mannopine" ] }, { "compound_id": "C16693", "inchi": "", "name": "Plastoquinol", "names": [ "Plastoquinol" ] }, { "compound_id": "C16694", "inchi": "InChI=1S/C13H16O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7H,6H2,1-4H3", "name": "Plastoquinone-1", "names": [ "Plastoquinone-1" ] }, { "compound_id": "C16695", "inchi": "InChI=1S/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39,54-55H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+", "name": "Plastoquinol-9", "names": [ "Plastoquinol A", "Plastoquinol-9" ] }, { "compound_id": "C16696", "inchi": "InChI=1S/C10H17N3O/c1-8(2)5-10(14)12-4-3-9-6-11-7-13-9/h6-8H,3-5H2,1-2H3,(H,11,13)(H,12,14)", "name": "Dolichotheline", "names": [ "Dolichotheline" ] }, { "compound_id": "C16697", "inchi": "InChI=1S/C8H13NO/c10-8-4-6-9-5-2-1-3-7(8)9/h7H,1-6H2/t7-/m0/s1", "name": "1-Indolizidinone", "names": [ "1-Indolizidinone", "1-Ketooctahydroindolizine" ] }, { "compound_id": "C16698", "inchi": "InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4?,6-,7-,8-,9-,11?/m1/s1", "name": "N-Acetylmuramic acid 6-phosphate", "names": [ "MurNAc 6-phosphate", "N-Acetylmuramate 6-phosphate", "N-Acetylmuramic acid 6-phosphate" ] }, { "compound_id": "C16699", "inchi": "InChI=1S/C9H17O12P/c10-1-3(8(14)15)20-9-7(13)6(12)5(11)4(21-9)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3?,4-,5-,6+,7+,9?/m1/s1", "name": "2-O-(6-Phospho-alpha-mannosyl)-D-glycerate", "names": [ "2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate", "2-O-(6-Phospho-alpha-mannosyl)-D-glycerate" ] }, { "compound_id": "C16700", "inchi": "InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H", "name": "3,4-Dihydroxybenzaldehyde", "names": [ "3,4-Dihydroxybenzaldehyde", "Protocatechualdehyde" ] }, { "compound_id": "C16701", "inchi": "InChI=1S/C15H17NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9,16-19H,7-8,10H2", "name": "Norbelladine", "names": [ "Norbelladine" ] }, { "compound_id": "C16702", "inchi": "InChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3", "name": "4'-O-Methylnorbelladine", "names": [ "4'-O-Methylnorbelladine" ] }, { "compound_id": "C16703", "inchi": "InChI=1S/C16H17NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,13,17H,6-9H2,1H3/t13-,16-/m0/s1", "name": "N-Demethylnarwedine", "names": [ "N-Demethylnarwedine" ] }, { "compound_id": "C16704", "inchi": "InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3", "name": "Anhalonidine", "names": [ "Anhalonidine" ] }, { "compound_id": "C16705", "inchi": "InChI=1S/C13H19NO3/c1-8-11-9(5-6-14-8)7-10(15-2)12(16-3)13(11)17-4/h7-8,14H,5-6H2,1-4H3", "name": "Anhalonine", "names": [ "Anhalonine", "O-Methylanhalonidine" ] }, { "compound_id": "C16706", "inchi": "InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-7,11H,1-2H2", "name": "4-Hydroxydihydrocinnamaldehyde", "names": [ "3-(p-Hydroxyphenyl)propanal", "4-Hydroxydihydrocinnamaldehyde" ] }, { "compound_id": "C16707", "inchi": "InChI=1S/C21H27NO5/c1-22-8-7-14-11-19(25-2)17(23)12-15(14)16(22)6-5-13-9-18(24)21(27-4)20(10-13)26-3/h9-12,16,23-24H,5-8H2,1-4H3/t16-/m0/s1", "name": "(S)-Autumnaline", "names": [ "(S)-Autumnaline", "Autumnaline" ] }, { "compound_id": "C16708", "inchi": "InChI=1S/C21H25NO5/c1-22-8-7-21-11-17(25-2)15(23)10-13(21)14(22)6-5-12-9-16(24)19(26-3)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1", "name": "Isoandrocymbine", "names": [ "Isoandrocymbine" ] }, { "compound_id": "C16709", "inchi": "InChI=1S/C22H27NO5/c1-23-9-8-22-12-18(26-3)16(24)11-14(22)15(23)7-6-13-10-17(25-2)20(27-4)21(28-5)19(13)22/h10-12,15H,6-9H2,1-5H3/t15-,22+/m0/s1", "name": "O-Methylandrocymbine", "names": [ "O-Methylandrocymbine" ] }, { "compound_id": "C16710", "inchi": "InChI=1S/C22H25NO6/c1-23(12-24)16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-12,16H,6,8H2,1-5H3/t16-/m0/s1", "name": "N-Formyldemecolcine", "names": [ "N-Formyldemecolcine" ] }, { "compound_id": "C16711", "inchi": null, "name": "Vitamin K epoxide", "names": [ "Vitamin K epoxide" ] }, { "compound_id": "C16712", "inchi": "InChI=1S/C20H23NO5/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1", "name": "Deacetylcolchicine", "names": [ "Deacetylcolchicine", "Trimethylcolchicinic acid methyl ether" ] }, { "compound_id": "C16713", "inchi": "InChI=1S/C21H25NO5/c1-22-8-7-12-10-15(25-2)19(24)18-16(12)13(22)6-5-11-9-14(23)20(26-3)21(27-4)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3", "name": "Floramultine", "names": [ "Floramultine" ] }, { "compound_id": "C16714", "inchi": "InChI=1S/C22H27NO5/c1-23-9-8-13-10-15(25-2)20(24)19-17(13)14(23)7-6-12-11-16(26-3)21(27-4)22(28-5)18(12)19/h10-11,14,24H,6-9H2,1-5H3", "name": "Kreysigine", "names": [ "Kreysigine" ] }, { "compound_id": "C16715", "inchi": "InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)", "name": "2-Oxo-1,2-dihydroquinoline-4-carboxylate", "names": [ "2-Oxo-1,2-dihydroquinoline-4-carboxylate" ] }, { "compound_id": "C16716", "inchi": "InChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)", "name": "4-Hydroxy-2-quinolone", "names": [ "4-Hydroxy-2-quinolone" ] }, { "compound_id": "C16717", "inchi": "InChI=1S/C26H32O9/c1-22(2)15-9-16(28)24(4)14(25(15,12-27)17(34-22)10-18(29)30)5-7-23(3)19(13-6-8-32-11-13)33-21(31)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,27H,5,7,9-10,12H2,1-4H3,(H,29,30)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1", "name": "Limonoate D-ring-lactone", "names": [ "Limonoate D-ring-lactone" ] }, { "compound_id": "C16718", "inchi": "InChI=1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15)12-33-18(28)10-17(25)34-22)5-7-23(3,19(29)13-6-8-32-11-13)26(24)20(35-26)21(30)31/h6,8,11,14-15,17,19-20,29H,5,7,9-10,12H2,1-4H3,(H,30,31)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1", "name": "Limonoate A-ring-lactone", "names": [ "Limonoate A-ring-lactone" ] }, { "compound_id": "C16719", "inchi": "InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1", "name": "(-)-Norephedrine", "names": [ "(-)-Norephedrine", "l-Phenylpropanolamine" ] }, { "compound_id": "C16720", "inchi": null, "name": "Peptide 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine", "names": [ "2-[3-Carboxy-3-(dimethylammonio)propyl]-L-histidine", "EF-2 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine", "Elongation factor 2 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine", "Peptide 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine" ] }, { "compound_id": "C16721", "inchi": "InChI=1S/C15H17NO3/c1-15(2,17)12-8-10-13(18-3)9-6-4-5-7-11(9)16-14(10)19-12/h4-7,12,17H,8H2,1-3H3/t12-/m1/s1", "name": "Platydesmine", "names": [ "Platydesmine" ] }, { "compound_id": "C16722", "inchi": null, "name": "Acceptor", "names": [ "Acceptor" ] }, { "compound_id": "C16723", "inchi": "InChI=1S/C26H28N2O9/c1-2-11-13-7-17-19-14(20(30)12-5-3-4-6-16(12)27-19)8-28(17)24(34)15(13)10-35-25(11)37-26-23(33)22(32)21(31)18(9-29)36-26/h2-6,10-11,13,17-18,21-23,25-26,29,31-33H,1,7-9H2,(H,27,30)/t11-,13+,17+,18-,21-,22+,23-,25+,26+/m1/s1", "name": "Pumiloside", "names": [ "Pumiloside" ] }, { "compound_id": "C16724", "inchi": "InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1", "name": "Strictosamide", "names": [ "Strictosamide" ] }, { "compound_id": "C16725", "inchi": "InChI=1S/C26H28N2O8/c1-2-14-15-8-18-20-13(7-12-5-3-4-6-17(12)27-20)9-28(18)24(33)16(15)11-34-25(14)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-7,11,14-15,18-19,21-23,25-26,29-32H,1,8-10H2/t14-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1", "name": "Deoxypumiloside", "names": [ "Deoxypumiloside" ] }, { "compound_id": "C16726", "inchi": "InChI=1S/C19H20N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18H,1,8,10-12H2/t13-,14?,18+/m0/s1", "name": "Cinchoninone", "names": [ "Cinchonan-9-one", "Cinchoninone" ] }, { "compound_id": "C16727", "inchi": "InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2/t13?,14?,18-/m0/s1", "name": "Cinchonamine", "names": [ "Cinchonamine" ] }, { "compound_id": "C16728", "inchi": "InChI=1S/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3/t13-,14?,19?/m0/s1", "name": "Quinidinone", "names": [ "Quinidinone" ] }, { "compound_id": "C16729", "inchi": null, "name": "Thyroglobulin L-thyroxine", "names": [ "Thyroglobulin 3,5,3'5'-tetraiodo-L-thyronine", "Thyroglobulin L-thyroxine" ] }, { "compound_id": "C16730", "inchi": null, "name": "Thyroglobulin triiodothyronine", "names": [ "Thyroglobulin L-3,5,3'-triiodothyronine", "Thyroglobulin triiodothyronine" ] }, { "compound_id": "C16731", "inchi": null, "name": "Thyroglobulin 3,5-diiodotyrosine", "names": [ "Thyroglobulin 3,5-diiodotyrosine" ] }, { "compound_id": "C16732", "inchi": null, "name": "Thyroglobulin 3-Iodotyrosine", "names": [ "Thyroglobulin 3-Iodotyrosine" ] }, { "compound_id": "C16733", "inchi": null, "name": "Thyroglobulin L-tyrosine", "names": [ "Thyroglobulin L-tyrosine" ] }, { "compound_id": "C16734", "inchi": null, "name": "Thyroglobulin dehydroalanine", "names": [ "Thyroglobulin aminoacrylate", "Thyroglobulin dehydroalanine" ] }, { "compound_id": "C16735", "inchi": "InChI=1S/C19H22N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-6,10,13-14,18,20H,1,7-9,11-12H2/t13-,14-,18-/m0/s1", "name": "Corynantheal", "names": [ "Corynantheal" ] }, { "compound_id": "C16736", "inchi": null, "name": "Thiol-containing reductant", "names": [ "R'-SH", "Thiol-containing reductant" ] }, { "compound_id": "C16737", "inchi": "InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h2-4,6,8-9,12H,1H2,(H,10,11)/t3-,4+,6+/m1/s1", "name": "5-Deoxy glucuronic acid", "names": [ "5-Deoxy glucuronic acid" ] }, { "compound_id": "C16738", "inchi": null, "name": "Sulfuric monoester", "names": [ "Ester sulfate", "Sulfuric monoester" ] }, { "compound_id": "C16739", "inchi": null, "name": "L-Arginyl-protein", "names": [ "L-Arginyl-protein" ] }, { "compound_id": "C16740", "inchi": null, "name": "Procollagen L-lysine", "names": [ "Procollagen L-lysine" ] }, { "compound_id": "C16741", "inchi": "InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1", "name": "L-Hydroxylysine", "names": [ "(5R)-5-Hydroxy-L-lysine", "5-Hydroxy-L-lysine", "L-Hydroxylysine", "L-erythro-5-Hydroxylysine" ] }, { "compound_id": "C16742", "inchi": "InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5-/m0/s1", "name": "allo-Hydroxy-L-lysine", "names": [ "Allohydroxy-L-lysine", "allo-Hydroxy-L-lysine" ] }, { "compound_id": "C16743", "inchi": "InChI=1S/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/t4-,5-/m0/s1", "name": "Phosphoallohydroxy-L-lysine", "names": [ "Phosphoallohydroxy-L-lysine" ] }, { "compound_id": "C16744", "inchi": "InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7?,9-/m1/s1", "name": "Spongothymidine", "names": [ "Spongothymidine" ] }, { "compound_id": "C16745", "inchi": "InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7?,8-/m1/s1", "name": "Spongouridine", "names": [ "Spongouridine" ] }, { "compound_id": "C16746", "inchi": "InChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25+,26?,27-,28-,29+,30-,31-/m0/s1", "name": "Discodermolide", "names": [ "Discodermolide" ] }, { "compound_id": "C16747", "inchi": "InChI=1S/C17H37N7O4/c18-7-5-9-21-8-3-4-10-22-15(27)16(28)24-14(26)12-13(25)6-1-2-11-23-17(19)20/h13,16,21,25,28H,1-12,18H2,(H,22,27)(H,24,26)(H4,19,20,23)/t13-,16-/m0/s1", "name": "Spergualin", "names": [ "Spergualin" ] }, { "compound_id": "C16748", "inchi": "InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2", "name": "Patulin", "names": [ "Patulin" ] }, { "compound_id": "C16749", "inchi": "InChI=1S/C44H66O16/c1-21-39(50)32(57-24(4)46)17-37(54-21)60-41-23(3)56-36(16-31(41)48)59-40-22(2)55-35(15-30(40)47)58-27-9-11-42(5)26(14-27)7-8-29-28(42)10-12-43(6)38(25-13-34(49)52-19-25)33(53-20-45)18-44(29,43)51/h13,20-23,26-33,35-41,47-48,50-51H,7-12,14-19H2,1-6H3/t21-,22-,23-,26-,27+,28+,29-,30+,31+,32+,33+,35+,36+,37+,38+,39-,40-,41-,42+,43-,44+/m1/s1", "name": "Acetylgitaloxin", "names": [ "Acetylgitaloxin", "alpha-Acetylgitaloxin" ] }, { "compound_id": "C16750", "inchi": "InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14-,15-,17+/m1/s1", "name": "Acetylintermedine", "names": [ "Acetylintermedine" ] }, { "compound_id": "C16751", "inchi": "InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11?,14-,15-,17+/m1/s1", "name": "Acetyllycopsamine", "names": [ "Acetyllycopsamine" ] }, { "compound_id": "C16752", "inchi": "InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1", "name": "Acevaltrate", "names": [ "Acevaltrate" ] }, { "compound_id": "C16753", "inchi": "InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1", "name": "Aflatoxin B2", "names": [ "Aflatoxin B2" ] }, { "compound_id": "C16754", "inchi": "InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1", "name": "Aflatoxin G2", "names": [ "Aflatoxin G2" ] }, { "compound_id": "C16755", "inchi": "InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1", "name": "Aflatoxin G1", "names": [ "Aflatoxin G1" ] }, { "compound_id": "C16756", "inchi": "InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1", "name": "Aflatoxin M1", "names": [ "Aflatoxin M1" ] }, { "compound_id": "C16757", "inchi": "InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-", "name": "(Z)-Ajoene", "names": [ "(Z)-Ajoene" ] }, { "compound_id": "C16758", "inchi": "InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+", "name": "(E)-Ajoene", "names": [ "(E)-Ajoene" ] }, { "compound_id": "C16759", "inchi": "InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1", "name": "S-Allyl-L-cysteine", "names": [ "S-Allyl-L-cysteine" ] }, { "compound_id": "C16760", "inchi": "InChI=1S/C15H12O4/c16-7-8-4-10-6-9-2-1-3-11(17)13(9)15(19)14(10)12(18)5-8/h1-5,16-18H,6-7H2", "name": "Aloe emodin anthrone", "names": [ "Aloe emodin anthrone" ] }, { "compound_id": "C16761", "inchi": "InChI=1S/C30H34BrN5O15/c1-29(48)22-8(5-32-23-13(34-22)24(44)36-28(47)35-23)12(30(29)9-3-2-7(31)4-10(9)33-27(30)46)25(45)50-20-17(41)15(39)16(40)18(42)21(20)51-26-19(43)14(38)11(37)6-49-26/h2-4,8,11-12,14-21,26,37-43,48H,5-6H2,1H3,(H,33,46)(H3,32,35,36,44,47)/t8-,11+,12+,14-,15-,16+,17-,18-,19+,20+,21?,26?,29+,30+/m0/s1", "name": "Neosurugatoxin", "names": [ "Neosurugatoxin" ] }, { "compound_id": "C16762", "inchi": "InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13+/t28-,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1", "name": "Ciguatoxin I", "names": [ "Ciguatoxin I" ] }, { "compound_id": "C16763", "inchi": "InChI=1S/C30H22O12/c1-5-3-7(31)9-11(19(5)33)27(41)29-13-14-24(38)17(29)26(40)16-22(36)10-8(32)4-6(2)20(34)12(10)28(42)30(14,16)18(23(13)37)25(39)15(29)21(9)35/h3-4,13-14,17-18,23-24,31-34,37-40H,1-2H3", "name": "Luteoskyrin", "names": [ "Luteoskyrin" ] }, { "compound_id": "C16764", "inchi": "InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-32,35-38H,1-2H3", "name": "Rugulosin", "names": [ "Rugulosin" ] }, { "compound_id": "C16765", "inchi": "InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1", "name": "Citrinin", "names": [ "Citrinin" ] }, { "compound_id": "C16766", "inchi": "InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9+,12-10+,15-14+/t17-,21+,22+,23+/m1/s1", "name": "Citreoviridin", "names": [ "Citreoviridin" ] }, { "compound_id": "C16767", "inchi": "InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1", "name": "Rubratoxin B", "names": [ "Rubratoxin B" ] }, { "compound_id": "C16768", "inchi": "InChI=1S/C17H18ClN3O6S2/c1-15-13(23)21-12-16(25,11(22)17(21,29-28-15)14(24)20(15)2)6-5-7(18)9(26-3)10(27-4)8(6)19-12/h5,11-12,19,22,25H,1-4H3/t11-,12-,15-,16-,17-/m1/s1", "name": "Sporidesmin J", "names": [ "Sporidesmin J" ] }, { "compound_id": "C16769", "inchi": "InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26?,29+,31-,32-/m0/s1", "name": "Aplysiatoxin", "names": [ "Aplysiatoxin" ] }, { "compound_id": "C16770", "inchi": "InChI=1S/C32H46Br2O10/c1-16(8-9-24(40-7)20-10-23(36)22(34)11-21(20)33)29-18(3)26-14-32(43-29)30(5,6)13-17(2)31(39,44-32)15-28(38)41-25(19(4)35)12-27(37)42-26/h10-11,16-19,24-26,29,35-36,39H,8-9,12-15H2,1-7H3/t16-,17+,18-,19+,24-,25+,26?,29+,31-,32-/m0/s1", "name": "19-Bromoaplysiatoxin", "names": [ "19-Bromoaplysiatoxin" ] }, { "compound_id": "C16771", "inchi": "InChI=1S/C31H46O10/c1-18(10-11-24(37-6)21-8-7-9-22(33)12-21)28-20(3)25-15-31(40-28)29(4,5)14-19(2)30(36,41-31)16-27(35)38-23(17-32)13-26(34)39-25/h7-9,12,18-20,23-25,28,32-33,36H,10-11,13-17H2,1-6H3/t18-,19+,20-,23+,24-,25?,28?,30-,31-/m0/s1", "name": "Oscillatoxin A", "names": [ "Oscillatoxin A" ] }, { "compound_id": "C16772", "inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3", "name": "DL-alpha-Terpineol", "names": [ "DL-alpha-Terpineol" ] }, { "compound_id": "C16773", "inchi": "InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15+/m1/s1", "name": "Bisabolol oxide A", "names": [ "Bisabolol oxide A" ] }, { "compound_id": "C16774", "inchi": "InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3", "name": "Bisabolol oxide B", "names": [ "Bisabolol oxide B" ] }, { "compound_id": "C16775", "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1", "name": "beta-Bisabolene", "names": [ "beta-Bisabolene" ] }, { "compound_id": "C16776", "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15-/m0/s1", "name": "beta-Sesquiphellandrene", "names": [ "(-)-beta-Sesquiphellandrene", "beta-Sesquiphellandrene" ] }, { "compound_id": "C16777", "inchi": "InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3", "name": "Sabinene", "names": [ "Sabinen", "Sabinene" ] }, { "compound_id": "C16778", "inchi": "InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-", "name": "Cantharidin", "names": [ "Cantharidin" ] }, { "compound_id": "C16779", "inchi": "InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+", "name": "Dendrolasin", "names": [ "Dendrolasin" ] }, { "compound_id": "C16780", "inchi": "InChI=1S/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-/t16-,18+,19+/m1/s1", "name": "Jasmolin I", "names": [ "Jasmolin I" ] }, { "compound_id": "C16781", "inchi": "InChI=1S/C22H30O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1", "name": "Jasmolin II", "names": [ "Jasmolin II" ] }, { "compound_id": "C16782", "inchi": "InChI=1S/C17H35N/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17/h16-18H,3-15H2,1-2H3/t16-,17-/m1/s1", "name": "(-)-Solenopsin A", "names": [ "(-)-Solenopsin A" ] }, { "compound_id": "C16783", "inchi": "InChI=1S/C30H50O5/c1-26(2)21-9-8-20-19(28(21,5)13-12-22(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-23(32)35-24(17)25(33)27(3,4)34/h8,17-19,21-25,31-34H,9-16H2,1-7H3/t17-,18+,19+,21+,22+,23-,24-,25+,28-,29+,30-/m1/s1", "name": "Meliantriol", "names": [ "Meliantriol" ] }, { "compound_id": "C16784", "inchi": "InChI=1S/C41H68O13/c1-3-4-6-13-30(43)21-38(51)25-34(47)17-10-19-36(49)27-41(54)28-37(50)20-11-18-35(48)26-40(53)23-32(45)15-8-5-7-14-31(44)22-39(52)24-33(46)16-9-12-29(2)42/h30,38-41,43,51-54H,3-28H2,1-2H3", "name": "HMT-toxin", "names": [ "HMT-toxin" ] }, { "compound_id": "C16785", "inchi": "InChI=1S/C33H62O8/c1-3-4-8-15-28(36)23-29(37)18-11-6-12-19-32(40)25-33(41)21-14-7-13-20-31(39)24-30(38)17-10-5-9-16-27(35)22-26(2)34/h26-28,31-32,34-36,39-40H,3-25H2,1-2H3/t26-,27+,28+,31+,32+/m0/s1", "name": "PM-toxin B", "names": [ "PM-toxin B" ] }, { "compound_id": "C16786", "inchi": "InChI=1S/C23H31N3O6/c1-13(2)19-22(29)26-18(8-6-7-16-9-11-17(31-5)12-10-16)21(28)24-14(3)20(27)25-15(4)23(30)32-19/h9-13,15,18-19H,3,6-8H2,1-2,4-5H3,(H,24,28)(H,25,27)(H,26,29)/t15-,18-,19-/m0/s1", "name": "AM-toxin I", "names": [ "AM-toxin I" ] }, { "compound_id": "C16787", "inchi": "InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4-,13-9+,14-10+", "name": "AK-toxin I", "names": [ "AK-toxin I" ] }, { "compound_id": "C16788", "inchi": "InChI=1S/C14H16O4/c1-2-4-13(17)14(18)8-7-10-5-3-6-12(16)11(10)9-15/h2-9,13-14,16-18H,1H3/b4-2+,8-7+/t13-,14+/m0/s1", "name": "Pyriculol", "names": [ "Pyriculol" ] }, { "compound_id": "C16789", "inchi": "InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3", "name": "Toxoflavine", "names": [ "Toxoflavine" ] }, { "compound_id": "C16790", "inchi": "InChI=1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,18+/m1/s1", "name": "Coronatine", "names": [ "Coronatine" ] }, { "compound_id": "C16791", "inchi": "InChI=1S/C60H86O19/c1-26-13-33-7-9-37-27(2)14-35(65-37)11-12-58-23-46-54(78-58)55-56(72-46)57(79-58)53-38(69-55)10-8-34(67-53)16-48(64)73-52-31(6)51-43(68-42(52)17-39(66-33)30(26)5)19-41-45(71-51)22-60(74-41)24-47-50(77-60)29(4)21-59(76-47)20-28(3)49-44(75-59)18-40(70-49)36(63)15-32(62)25-61/h26,28-29,31-47,49-57,61-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29+,31+,32-,33+,34-,35+,36+,37+,38+,39-,40+,41-,42+,43+,44?,45-,46+,47?,49+,50+,51+,52-,53+,54+,55+,56-,57+,58+,59-,60+/m1/s1", "name": "Halichondrin B", "names": [ "Halichondrin B" ] }, { "compound_id": "C16792", "inchi": "InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,2-3,5-7,10,13-14H2,1H3/t15-,16-,17-/m1/s1", "name": "Panaxytriol", "names": [ "Panaxytriol" ] }, { "compound_id": "C16793", "inchi": "InChI=1S/C32H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)30(32(34)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,33H,3-29H2,1-2H3,(H,34,35)/t30-,31-/m1/s1", "name": "Corynomycolic acid", "names": [ "Corynomycolic acid" ] }, { "compound_id": "C16794", "inchi": "InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)", "name": "Tuberculostearic acid", "names": [ "Tuberculostearic acid" ] }, { "compound_id": "C16795", "inchi": "InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)/t15-/m0/s1", "name": "Hydnocarpic acid", "names": [ "Hydnocarpic acid" ] }, { "compound_id": "C16796", "inchi": "InChI=1S/C15H10O5/c1-6-5-9(17)11-12(13(6)18)14(19)7-3-2-4-8(16)10(7)15(11)20/h2-5,16-18H,1H3", "name": "Islandicin", "names": [ "Islandicin" ] }, { "compound_id": "C16797", "inchi": "InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/t24-,25-,26-,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1", "name": "Sennoside C", "names": [ "Sennidin C", "Sennoside C" ] }, { "compound_id": "C16798", "inchi": "InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/t24-,25-,26+,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1", "name": "Sennoside D", "names": [ "Sennidin D", "Sennoside D" ] }, { "compound_id": "C16799", "inchi": "InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1", "name": "Cascaroside B", "names": [ "Cascaroside B" ] }, { "compound_id": "C16800", "inchi": "InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1", "name": "Cascaroside D", "names": [ "Cascaroside D" ] }, { "compound_id": "C16801", "inchi": "InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1", "name": "Cascaroside C", "names": [ "Cascaroside C" ] }, { "compound_id": "C16802", "inchi": "InChI=1S/C27H30O14/c1-8-3-11-16(13(29)4-8)21(33)17-12(19(11)31)5-10(39-26-24(36)22(34)18(30)9(2)38-26)6-14(17)40-27-25(37)23(35)20(32)15(7-28)41-27/h3-6,9,15,18,20,22-30,32,34-37H,7H2,1-2H3/t9-,15+,18-,20+,22+,23-,24+,25+,26-,27+/m0/s1", "name": "Glucofrangulin A", "names": [ "Glucofrangulin A" ] }, { "compound_id": "C16803", "inchi": "InChI=1S/C26H28O14/c1-10-2-12-17(14(29)3-10)21(32)18-13(19(12)30)4-11(40-26(36)9-37-8-25(26,35)7-28)5-15(18)38-24-23(34)22(33)20(31)16(6-27)39-24/h2-5,16,20,22-24,27-29,31,33-36H,6-9H2,1H3/t16-,20-,22+,23-,24-,25-,26-/m1/s1", "name": "Glucofrangulin B", "names": [ "Glucofrangulin B" ] }, { "compound_id": "C16804", "inchi": "InChI=1S/C8H10O4/c1-5(2)8(10)6(11-3)4-7(9)12-8/h4,10H,1H2,2-3H3", "name": "Penicillic acid", "names": [ "Penicillic acid" ] }, { "compound_id": "C16805", "inchi": "InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3", "name": "Coumachlor", "names": [ "Coumachlor" ] }, { "compound_id": "C16806", "inchi": "InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2", "name": "Coumatetralyl", "names": [ "Coumatetralyl" ] }, { "compound_id": "C16807", "inchi": "InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2", "name": "Difenacoum", "names": [ "Difenacoum" ] }, { "compound_id": "C16808", "inchi": "InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20?,23-,24?,25+/m0/s1", "name": "Isosilybin", "names": [ "Isosilybin" ] }, { "compound_id": "C16809", "inchi": "InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1", "name": "Isovaltrate", "names": [ "Isovaltrate" ] }, { "compound_id": "C16810", "inchi": "InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/t19-,20+/m1/s1", "name": "Bioresmethrin", "names": [ "Bioresmethrin" ] }, { "compound_id": "C16811", "inchi": "InChI=1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3", "name": "Baldrinal", "names": [ "Baldrinal" ] }, { "compound_id": "C16812", "inchi": "InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3", "name": "Homobaldrinal", "names": [ "Homobaldrinal" ] }, { "compound_id": "C16813", "inchi": "InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m0/s1", "name": "Valeranone", "names": [ "Valeranone" ] }, { "compound_id": "C16814", "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+", "name": "gamma-Bisabolene", "names": [ "(Z)-gamma-Bisabolene", "gamma-Bisabolene" ] }, { "compound_id": "C16815", "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15-/m0/s1", "name": "alpha-Cadinene", "names": [ "alpha-Cadinene" ] }, { "compound_id": "C16816", "inchi": "InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6-,7+,8+,9-,10-,11-,12+,16-,18+,19?,20+/m0/s1", "name": "Ginkgolide M", "names": [ "Ginkgolide M" ] }, { "compound_id": "C16817", "inchi": "InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m0/s1", "name": "Goitrin", "names": [ "Goitrin" ] }, { "compound_id": "C16818", "inchi": "InChI=1S/C25H42O/c1-17(2)8-7-9-18(3)20-12-14-24(5)16-23-21(13-15-25(23,6)26)19(4)10-11-22(20)24/h8,10,18,20-23,26H,7,9,11-16H2,1-6H3/b19-10-/t18-,20+,21+,22-,23-,24+,25+/m0/s1", "name": "Ophiobolin F", "names": [ "Ophiobolene", "Ophiobolin F" ] }, { "compound_id": "C16819", "inchi": "InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1", "name": "Neotigogenin", "names": [ "Neotigogenin" ] }, { "compound_id": "C16820", "inchi": "InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31?,32?,33-,34+,35+,36+/m1/s1", "name": "k-Strophanthin-beta", "names": [ "k-Strophanthin-beta" ] }, { "compound_id": "C16821", "inchi": "InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3", "name": "Guvacoline", "names": [ "Guvacoline" ] }, { "compound_id": "C16822", "inchi": "InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1", "name": "9-Aminocamptothecin", "names": [ "9-Aminocamptothecin" ] }, { "compound_id": "C16823", "inchi": "InChI=1S/C22H32N4O4/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20/h9-14,17-18H,5-8,15-16H2,1-4H3/q+2", "name": "Distigmine", "names": [ "Distigmine" ] }, { "compound_id": "C16825", "inchi": "InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12?/m1/s1", "name": "Neomenthyl acetate", "names": [ "Neomenthyl acetate" ] }, { "compound_id": "C16826", "inchi": "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11-", "name": "2-cis,6-trans-Farnesyl diphosphate", "names": [ "(2Z,6E)-Farnesyl diphosphate", "2-cis,6-trans-Farnesyl diphosphate" ] }, { "compound_id": "C16827", "inchi": "InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1", "name": "p-Coumaroyl-D-glucose", "names": [ "1-O-(4-Coumaroyl)-beta-D-glucose", "p-Coumaroyl-D-glucose" ] }, { "compound_id": "C16828", "inchi": "InChI=1S/C9H6O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+", "name": "Caffeoquinone", "names": [ "Caffeic acid quinone", "Caffeoquinone" ] }, { "compound_id": "C16829", "inchi": "InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10,12H,2,5-6,8-9,11H2,1,3-4H3/b12-10+,13-7+", "name": "gamma-Humulene", "names": [ "gamma-Humulene" ] }, { "compound_id": "C16830", "inchi": null, "name": "D-Aldonolactone", "names": [ "D-Aldonolactone" ] }, { "compound_id": "C16831", "inchi": "InChI=1S/C12H14N2O2/c1-7-9(6-10(13)12(15)16)8-4-2-3-5-11(8)14-7/h2-5,10,14H,6,13H2,1H3,(H,15,16)/t10-/m0/s1", "name": "L-2-Methyltryptophan", "names": [ "2-Methyl-L-tryptophan", "L-2-Methyltryptophan" ] }, { "compound_id": "C16832", "inchi": null, "name": "Protein N6-(dihydrolipoyl)lysine", "names": [ "Protein N6-(dihydrolipoyl)lysine" ] }, { "compound_id": "C16833", "inchi": "InChI=1S/C30H45N8O17P3S/c1-30(2,25(42)28(43)34-9-8-20(39)33-10-11-59-21(40)12-18(31)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)38-16-37-22-26(32)35-15-36-27(22)38/h3-7,15-16,18-19,23-25,29,41-42H,8-14,31H2,1-2H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t18-,19-,23-,24-,25?,29-/m1/s1", "name": "beta-Phenylalanoyl-CoA", "names": [ "(R)-3-Amino-3-phenylpropanoyl-CoA", "(R)-beta-Phenylalanoyl-CoA", "Amino phenylpropanoyl-CoA", "beta-Phenylalanoyl-CoA" ] }, { "compound_id": "C16834", "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", "name": "1-Pentanol", "names": [ "1-Pentanol" ] }, { "compound_id": "C16835", "inchi": "InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2", "name": "Succinic aldehyde", "names": [ "Succindialdehyde", "Succinic aldehyde" ] }, { "compound_id": "C16836", "inchi": "InChI=1S/C11H20N2O2/c14-11(15)13-8-4-10(5-9-13)12-6-2-1-3-7-12/h10H,1-9H2,(H,14,15)", "name": "1,4'-Bipiperidine-1'-carboxylic acid", "names": [ "1,4'-Bipiperidine-1'-carboxylic acid", "[1,4'-Bipiperidine]-1'-carboxylic acid" ] }, { "compound_id": "C16837", "inchi": "InChI=1S/C6H12N2O2/c7-5-1-3-8(4-2-5)6(9)10/h5H,1-4,7H2,(H,9,10)", "name": "4-Amino-1-piperidinecarboxylic acid", "names": [ "4-Amino-1-piperidinecarboxylic acid" ] }, { "compound_id": "C16838", "inchi": "InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3", "name": "Alternariol", "names": [ "Alternariol" ] }, { "compound_id": "C16839", "inchi": "InChI=1S/C49H70O13/c1-26-17-36-39(22-45(52)58-36)57-44-21-38-40(62-48(44,4)23-26)18-28(3)46-35(55-38)11-7-6-10-31-32(59-46)12-8-14-34-33(54-31)13-9-15-43-49(5,61-34)24-42-37(56-43)20-41-47(60-42)30(51)19-29(53-41)16-27(2)25-50/h6-8,14,25-26,28-44,46-47,51H,2,9-13,15-24H2,1,3-5H3/b7-6-,14-8-/t26-,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+,46-,47+,48-,49+/m1/s1", "name": "Brevetoxin A", "names": [ "Brevetoxin A" ] }, { "compound_id": "C16840", "inchi": "InChI=1S/C15H12BrN3/c16-9-3-4-10-11-5-7-18-15(12-2-1-6-17-12)14(11)19-13(10)8-9/h3-5,7-8,19H,1-2,6H2", "name": "Eudistomin G", "names": [ "Eudistomin G" ] }, { "compound_id": "C16841", "inchi": "InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1", "name": "Squalamine", "names": [ "Squalamine" ] }, { "compound_id": "C16842", "inchi": "InChI=1S/C6H10N2O6S/c1-4(9)7-6(14-2)3-8(5(6)10)15(11,12)13/h3H2,1-2H3,(H,7,9)(H,11,12,13)/t6-/m1/s1", "name": "SQ 26180", "names": [ "SQ 26180" ] }, { "compound_id": "C16843", "inchi": "InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1", "name": "Deoxynojirimycin", "names": [ "Deoxynojirimycin", "Moranolin" ] }, { "compound_id": "C16844", "inchi": "InChI=1S/HO/h1H", "name": "Hydroxyl radical", "names": [ "Hydrogen oxide", "Hydroxyl radical" ] }, { "compound_id": "C16845", "inchi": "InChI=1S/HNO3/c2-1-4-3/h3H/p-1", "name": "Peroxynitrite", "names": [ "Peroxynitrite" ] }, { "compound_id": "C16846", "inchi": "InChI=1S/C19H20N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18H,1,8,10-12H2/t13-,14?,18-/m0/s1", "name": "Cinchonidinone", "names": [ "(8alpha)-Cinchonan-9-one", "Cinchonidinone" ] }, { "compound_id": "C16847", "inchi": "InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1", "name": "Didemnin B", "names": [ "Didemnin B" ] }, { "compound_id": "C16848", "inchi": "InChI=1S/C6H11O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h5-6,9-10H,2H2,1H3,(H2,11,12,13)/t5-,6-/m1/s1", "name": "6-Deoxy-5-ketofructose 1-phosphate", "names": [ "6-Deoxy-5-ketofructose 1-phosphate" ] }, { "compound_id": "C16849", "inchi": "InChI=1S/C3H5O6P/c4-1-3(5)2-9-10(6,7)8/h1H,2H2,(H2,6,7,8)", "name": "Hydroxypyruvaldehyde phosphate", "names": [ "Hydroxypyruvaldehyde phosphate" ] }, { "compound_id": "C16850", "inchi": "InChI=1S/C7H13NO5/c1-3(9)6(11)5(10)2-4(8)7(12)13/h4-6,10-11H,2,8H2,1H3,(H,12,13)/t4-,5+,6+/m0/s1", "name": "2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid", "names": [ "2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid" ] }, { "compound_id": "C16852", "inchi": "InChI=1S/C60H84O16/c1-7-8-13-34-14-11-17-41-56(65-34)53(63)57-49(69-41)26-43-40(72-57)21-20-38-39(67-43)19-18-37-35(66-38)15-9-10-16-36-45(68-37)28-50(61)59(6)51(71-36)29-46-47(75-59)25-30(2)24-42-44(70-46)27-48-54(73-42)32(4)52(62)58-55(74-48)31(3)33(5)60(76-58)22-12-23-64-60/h7-11,13-14,18-21,30-58,61-63H,1,12,15-17,22-29H2,2-6H3/b10-9-,13-8+/t30-,31+,32+,33+,34+,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1", "name": "Gambiertoxin 4b", "names": [ "Gambiertoxin 4b" ] }, { "compound_id": "C16855", "inchi": "InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4?,5-,9-/m0/s1", "name": "Gonyautoxin 1", "names": [ "Gonyautoxin 1" ] }, { "compound_id": "C16856", "inchi": "InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4?,5-,9-/m0/s1", "name": "Gonyautoxin 2", "names": [ "Gonyautoxin 2" ] }, { "compound_id": "C16857", "inchi": "InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1", "name": "Brevetoxin B", "names": [ "Brevetoxin B" ] }, { "compound_id": "C16858", "inchi": "InChI=1S/C20H32O/c1-13(2)7-6-8-14(3)18-12-9-15(4)17-11-10-16(5)19(17)20(18)21/h7,10,14,17-21H,4,6,8-9,11-12H2,1-3,5H3/t14-,17+,18+,19-,20-/m1/s1", "name": "Pachydictyol A", "names": [ "Pachydictyol A" ] }, { "compound_id": "C16859", "inchi": "InChI=1S/C24H32O9/c1-12-7-8-17(31-14(3)25)22(5)10-9-16(27)23(6,29)19(22)20(32-15(4)26)24(30)13(2)21(28)33-18(24)11-12/h9-11,13,17-20,29-30H,7-8H2,1-6H3/b12-11-/t13-,17+,18-,19+,20-,22+,23+,24-/m0/s1", "name": "Renillafoulin A", "names": [ "Renillafoulin A" ] }, { "compound_id": "C16860", "inchi": "InChI=1S/C12H13Br3N2/c1-16(2)6-8-7-4-9(13)10(14)5-11(7)17(3)12(8)15/h4-5H,6H2,1-3H3", "name": "2,5,6-Tribromo-1-methylgramine", "names": [ "2,5,6-Tribromo-1-methylgramine" ] }, { "compound_id": "C16861", "inchi": "InChI=1S/C32H50O10/c1-10-11-17(3)30-32(8,42-30)29(38)22-15-41-31(39)27(37)28(40-9)21(7)26(36)20(6)24(34)19(5)14-18(4)23(33)13-12-16(2)25(22)35/h10-11,14,16-18,20-22,24,27-30,34,37-38H,12-13,15H2,1-9H3/b11-10-,19-14+/t16-,17+,18+,20-,21-,22+,24+,27-,28+,29+,30-,32-/m1/s1", "name": "13-Deoxytedanolide", "names": [ "13-Deoxytedanolide" ] }, { "compound_id": "C16868", "inchi": "InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1", "name": "Tauroursodeoxycholic acid", "names": [ "Tauroursodeoxycholic acid" ] }, { "compound_id": "C16873", "inchi": "InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4-,7-6+", "name": "Bombykol", "names": [ "Bombykol" ] }, { "compound_id": "C16874", "inchi": "InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1", "name": "Makisterone A", "names": [ "Makisterone A" ] }, { "compound_id": "C16880", "inchi": "InChI=1S/C10H12N2O3S/c1-11-4-7(14)5-2-3-6(13)8-9(5)16-10(15)12-8/h2-3,7,11,13-14H,4H2,1H3,(H,12,15)", "name": "S 1319", "names": [ "S 1319" ] }, { "compound_id": "C16884", "inchi": "InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1", "name": "D-Threitol", "names": [ "D-Threitol" ] }, { "compound_id": "C16885", "inchi": "InChI=1S/C59H92O16/c1-30(18-31(2)28-60)19-42-33(4)21-48-56(7,74-42)27-46-54(71-48)55(65)59(10)50(69-46)26-45-53(75-59)32(3)12-11-13-40-39(67-45)16-17-47-57(8,72-40)29-58(9)49(70-47)25-44-41(73-58)15-14-38(62)43(68-44)24-36(61)23-37-20-34(5)52(66-37)35(6)22-51(63)64/h11-12,18,31-32,34-50,52-55,60-62,65H,4,13-17,19-29H2,1-3,5-10H3,(H,63,64)/b12-11-,30-18+/t31-,32-,34-,35+,36-,37+,38+,39-,40+,41-,42+,43-,44+,45+,46+,47+,48+,49-,50-,52+,53-,54+,55-,56-,57-,58+,59-/m1/s1", "name": "Gambieric acid A", "names": [ "Gambieric acid A" ] }, { "compound_id": "C16886", "inchi": "InChI=1S/C60H94O16/c1-31(19-32(2)29-61)20-42-34(4)22-48-57(8,75-42)28-45-54(72-48)55(65)60(11)50(70-45)27-44-53(76-60)33(3)13-12-14-40-39(68-44)15-16-46-58(9,73-40)30-59(10)49(71-46)26-43-41(74-59)17-18-56(7,66)47(69-43)25-37(62)24-38-21-35(5)52(67-38)36(6)23-51(63)64/h12-13,19,32-33,35-50,52-55,61-62,65-66H,4,14-18,20-30H2,1-3,5-11H3,(H,63,64)/b13-12-,31-19+/t32-,33-,35-,36+,37-,38+,39-,40+,41-,42+,43+,44+,45+,46+,47-,48+,49-,50-,52+,53-,54+,55-,56+,57-,58-,59+,60-/m1/s1", "name": "Gambieric acid B", "names": [ "Gambieric acid B" ] }, { "compound_id": "C16887", "inchi": "InChI=1S/C65H100O19/c1-33(19-35(3)31-74-57(72)22-34(2)21-55(68)69)20-46-37(5)24-52-62(8,83-46)30-50-60(80-52)61(73)65(11)54(78-50)29-49-59(84-65)36(4)13-12-14-44-43(76-49)17-18-51-63(9,81-44)32-64(10)53(79-51)28-48-45(82-64)16-15-42(67)47(77-48)27-40(66)26-41-23-38(6)58(75-41)39(7)25-56(70)71/h12-13,19,34-36,38-54,58-61,66-67,73H,5,14-18,20-32H2,1-4,6-11H3,(H,68,69)(H,70,71)/b13-12-,33-19+/t34-,35+,36+,38+,39-,40+,41-,42-,43+,44-,45+,46-,47+,48-,49-,50-,51-,52-,53+,54+,58-,59+,60-,61+,62+,63+,64-,65+/m0/s1", "name": "Gambieric acid C", "names": [ "Gambieric acid C" ] }, { "compound_id": "C16888", "inchi": "InChI=1S/C66H102O19/c1-34(20-36(3)32-75-57(72)23-35(2)22-55(68)69)21-46-38(5)25-52-63(9,84-46)31-49-60(81-52)61(73)66(12)54(79-49)30-48-59(85-66)37(4)14-13-15-44-43(77-48)16-17-50-64(10,82-44)33-65(11)53(80-50)29-47-45(83-65)18-19-62(8,74)51(78-47)28-41(67)27-42-24-39(6)58(76-42)40(7)26-56(70)71/h13-14,20,35-37,39-54,58-61,67,73-74H,5,15-19,21-33H2,1-4,6-12H3,(H,68,69)(H,70,71)/b14-13-,34-20+/t35-,36+,37+,39+,40-,41+,42-,43+,44-,45+,46-,47-,48-,49-,50-,51+,52-,53+,54+,58-,59+,60-,61+,62-,63+,64+,65-,66+/m0/s1", "name": "Gambieric acid D", "names": [ "Gambieric acid D" ] }, { "compound_id": "C16889", "inchi": "InChI=1S/C23H46NO4.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(28-21(2)25)20-23(26)27-19-18-24(3,4)5;/h22H,6-20H2,1-5H3;1H/q+1;/p-1/t22-;/m0./s1", "name": "Pahutoxin", "names": [ "Pahutoxin" ] }, { "compound_id": "C16890", "inchi": "InChI=1S/C27H48O5/c1-16(5-4-6-17(14-28)15-29)20-7-8-21-25-22(13-24(32)27(20,21)3)26(2)10-9-19(30)11-18(26)12-23(25)31/h16-25,28-32H,4-15H2,1-3H3/t16-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "5-alpha-Cyprinol", "names": [ "5-alpha-Cyprinol" ] }, { "compound_id": "C16891", "inchi": "InChI=1S/C29H44O4/c1-8-22(5)28(31)24(7)29(32)23(6)18-20(3)12-10-13-21(4)19-25(9-2)16-17-26-14-11-15-27(30)33-26/h10-12,15-19,21-24,26,28,31H,8-9,13-14H2,1-7H3/b12-10+,17-16+,20-18+,25-19-/t21-,22+,23-,24+,26-,28-/m1/s1", "name": "Callystatin A", "names": [ "Callystatin A" ] }, { "compound_id": "C16893", "inchi": "InChI=1S/C26H44N2O/c1-21(2)10-8-11-22(3)12-9-13-23(4)15-16-26(29)27-20-24-17-19-28(5)18-7-6-14-25(24)28/h10,12,15-16,23-25H,6-9,11,13-14,17-20H2,1-5H3/p+1/b16-15+,22-12+/t23-,24-,25+,28-/m0/s1", "name": "Stellettamide A", "names": [ "Stellettamide A" ] }, { "compound_id": "C16894", "inchi": "InChI=1S/C29H46N2/c1-18(2)22-12-15-31-27(22)16-19(3)24-8-9-25-23-7-6-20-17-21(30)10-13-28(20,4)26(23)11-14-29(24,25)5/h7,19-21,24-26H,6,8-17,30H2,1-5H3/t19-,20+,21-,24-,25+,26+,28+,29-/m1/s1", "name": "Plakinamine A", "names": [ "Plakinamine A" ] }, { "compound_id": "C16895", "inchi": "InChI=1S/C31H50N2/c1-21(7-8-23-15-18-33(6)20-22(23)2)27-11-12-28-26-10-9-24-19-25(32-5)13-16-30(24,3)29(26)14-17-31(27,28)4/h7-8,10,21,24-25,27-29,32H,9,11-20H2,1-6H3/b8-7+/t21-,24+,25-,27-,28+,29+,30+,31-/m1/s1", "name": "Plakinamine B", "names": [ "Plakinamine B" ] }, { "compound_id": "C16896", "inchi": "InChI=1S/C11H12O3/c1-2-3-8(7-12)10-6-9(13)4-5-11(10)14/h2-6,12-14H,1,7H2/b8-3-", "name": "Nakitriol", "names": [ "Nakitriol" ] }, { "compound_id": "C16903", "inchi": "InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3", "name": "Perazine", "names": [ "Perazine" ] }, { "compound_id": "C16906", "inchi": "InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2", "name": "Anabaseine", "names": [ "Anabaseine" ] }, { "compound_id": "C16908", "inchi": "InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13?,15?/m1/s1", "name": "Caryophyllene epoxide", "names": [ "Caryophyllene epoxide", "Caryophyllene oxide" ] }, { "compound_id": "C16909", "inchi": "InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3", "name": "1,4-Cineole", "names": [ "1,4-Cineole", "1,4-Epoxy-p-menthane" ] }, { "compound_id": "C16910", "inchi": "InChI=1S/C19H24ClNO6/c1-21-6-5-17-8-10(22)14(26-3)16(27-4)18(17,21)9-12(20)19(17)13(23)7-11(25-2)15(19)24/h7,12,15,24H,5-6,8-9H2,1-4H3/t12-,15+,17+,18+,19+/m0/s1", "name": "Acutumine", "names": [ "Acutumine" ] }, { "compound_id": "C16911", "inchi": "InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1", "name": "Afzelin", "names": [ "Afzelin", "Kaempferin", "Kaempferol 3-O-alpha-L-rhamnoside" ] }, { "compound_id": "C16912", "inchi": "InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1", "name": "Alphitolic acid", "names": [ "2alpha-Hydroxybetulinic acid", "Alphitolic acid" ] }, { "compound_id": "C16913", "inchi": "InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2/t9-,10-/m1/s1", "name": "Anemonin", "names": [ "Anemonin", "Pulsatilla camphor" ] }, { "compound_id": "C16914", "inchi": "InChI=1S/C17H16O6/c1-9(2)12(18)8-22-17-15-11(6-7-21-15)14(20-3)10-4-5-13(19)23-16(10)17/h4-7,9H,8H2,1-3H3", "name": "Isobyakangelicol", "names": [ "Anhydrobyakangelicin", "Isobyakangelicol" ] }, { "compound_id": "C16915", "inchi": "InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1", "name": "Arctiin", "names": [ "Arctiin" ] }, { "compound_id": "C16916", "inchi": "InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24+,25-,26+,28-,29-,30-,31+/m1/s1", "name": "Arundoin", "names": [ "Arundoin" ] }, { "compound_id": "C16918", "inchi": "InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+", "name": "Atractylodin", "names": [ "Atractylodin" ] }, { "compound_id": "C16919", "inchi": "InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1", "name": "Atractylone", "names": [ "Atractylol", "Atractylone", "Atractyloxide" ] }, { "compound_id": "C16920", "inchi": "InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11?,12-,15?/m0/s1", "name": "Bornyl isovalerate", "names": [ "Bornyl isovalerate", "Bornyval", "Hysterol" ] }, { "compound_id": "C16921", "inchi": "InChI=1S/C24H34O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h6,11,15,17-21H,3-5,7-10,12-14H2,1-2H3/t17?,18-,19+,20+,21-,23-,24+/m0/s1", "name": "Bufadienolide", "names": [ "Bufadienolide" ] }, { "compound_id": "C16922", "inchi": "InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1", "name": "Bufalin", "names": [ "Bufalin" ] }, { "compound_id": "C16923", "inchi": "InChI=1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19+,20-,21+,23+,24+,25-,26+/m1/s1", "name": "Bufotalin", "names": [ "3beta,14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 16-acetate", "Bufotalin" ] }, { "compound_id": "C16924", "inchi": "InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-", "name": "Butylidenephthalide", "names": [ "Butylidenephthalide" ] }, { "compound_id": "C16925", "inchi": "InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1", "name": "Byakangelicol", "names": [ "Byakangelicol" ] }, { "compound_id": "C16926", "inchi": "InChI=1S/C13H10O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8-9H,7H2,1H3", "name": "Capillarin", "names": [ "Capillarin" ] }, { "compound_id": "C16927", "inchi": "InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,9H2,1H3", "name": "Capillene", "names": [ "Capillene" ] }, { "compound_id": "C16928", "inchi": "InChI=1S/C12H12O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h2-10H,1H3/b3-2+,10-5+", "name": "Capillone", "names": [ "Capillone" ] }, { "compound_id": "C16929", "inchi": "InChI=1S/C15H14O4/c1-15(2)8-7-11(14(17)19-15)12-9-5-3-4-6-10(9)13(16)18-12/h3-7,12H,8H2,1-2H3", "name": "Catalpalactone", "names": [ "Catalpalactone" ] }, { "compound_id": "C16930", "inchi": "InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2", "name": "Chavicol", "names": [ "Chavicol" ] }, { "compound_id": "C16931", "inchi": "InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1", "name": "Cinobufagin", "names": [ "Cinobufagin" ] }, { "compound_id": "C16932", "inchi": "InChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17?,18?,20-,21+,22+,23+,24+,25-,26+/m0/s1", "name": "Cinobufotalin", "names": [ "Cinobufotalin" ] }, { "compound_id": "C16933", "inchi": "InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,5H,3-4H2", "name": "3,6-Dihydropyridine", "names": [ "3,6-Dihydropyridine" ] }, { "compound_id": "C16937", "inchi": "InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,9-11H,2-4,6,8H2,1H3/t9-,10+,11-/m0/s1", "name": "Cnidilide", "names": [ "Cnidilide" ] }, { "compound_id": "C16938", "inchi": "InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1", "name": "Coptisine", "names": [ "Coptisine" ] }, { "compound_id": "C16939", "inchi": "InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1", "name": "Crataegolic acid", "names": [ "Crataegolic acid", "Masilinic acid" ] }, { "compound_id": "C16940", "inchi": "InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-4,6,11,16,18-20H,5H2/t11-/m0/s1", "name": "Carthamidin", "names": [ "Carthamidin" ] }, { "compound_id": "C16941", "inchi": "InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13-/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42+,43-/m1/s1", "name": "Carthamin", "names": [ "Carthamin" ] }, { "compound_id": "C16942", "inchi": "InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3", "name": "Curcumenol", "names": [ "Curcumenol" ] }, { "compound_id": "C16943", "inchi": "InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3/t13-,15-/m0/s1", "name": "Curzerenone", "names": [ "Curzerenone" ] }, { "compound_id": "C16945", "inchi": "InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12,14,16H,1,5-9H2,2-4H3/t12-,14-,15+/m1/s1", "name": "Cyperol", "names": [ "Cyperol" ] }, { "compound_id": "C16946", "inchi": "InChI=1S/C15H24O2/c1-10(2)12-5-7-14(4)8-6-13(17)15(14,9-12)11(3)16/h12-13,17H,1,5-9H2,2-4H3/t12-,13+,14+,15+/m1/s1", "name": "Cyperolone", "names": [ "Cyperolone" ] }, { "compound_id": "C16947", "inchi": "InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h11H,2-10H2,1H3", "name": "Decanoyl acetaldehyde", "names": [ "Decanoyl acetaldehyde" ] }, { "compound_id": "C16949", "inchi": "InChI=1S/C15H22O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,12H,5,7-9H2,1-4H3/b11-6-/t12-/m0/s1", "name": "Dehydrocurdione", "names": [ "Dehydrocurdione" ] }, { "compound_id": "C16950", "inchi": "InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1", "name": "Dehydroeburicoic acid", "names": [ "Dehydroeburicoic acid", "Dehydrotrametenolic acid" ] }, { "compound_id": "C16951", "inchi": "InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3", "name": "Deoxyschizandrin", "names": [ "Deoxyschizandrin" ] }, { "compound_id": "C16952", "inchi": "InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)", "name": "Dihydrocapsaicin", "names": [ "Dihydrocapsaicin" ] }, { "compound_id": "C16953", "inchi": "InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13-/t14-,17-,20-/m0/s1", "name": "Dihydrocorynantheine", "names": [ "18,19-Dihydrocorynantheine", "Dihydrocorynantheine" ] }, { "compound_id": "C16954", "inchi": "InChI=1S/C38H44N2O8/c1-39-9-7-37-17-27(41)29(45-3)15-23(37)25(39)11-21-19(13-31(47-5)35(43)33(21)37)20-14-32(48-6)36(44)34-22(20)12-26-24-16-30(46-4)28(42)18-38(24,34)8-10-40(26)2/h13-16,23-26,43-44H,7-12,17-18H2,1-6H3/t23-,24-,25+,26+,37-,38-/m1/s1", "name": "Disinomenine", "names": [ "Bisinomenine", "Disinomenine" ] }, { "compound_id": "C16955", "inchi": "InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3", "name": "Eucarvone", "names": [ "Eucarvone" ] }, { "compound_id": "C16956", "inchi": "InChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h6-7,14-15,17-19H,3-5,8-13,16H2,1-2H3/b7-6-", "name": "Evocarpine", "names": [ "Evocarpine" ] }, { "compound_id": "C16957", "inchi": "InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21+/m1/s1", "name": "Fargesin", "names": [ "Fargesin" ] }, { "compound_id": "C16958", "inchi": "InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22+,23+,24-,25+,27-,28-,29-,30+/m1/s1", "name": "Fernenol", "names": [ "Fernenol" ] }, { "compound_id": "C16959", "inchi": "InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-", "name": "Furanodiene", "names": [ "Furanodiene" ] }, { "compound_id": "C16960", "inchi": "InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6-", "name": "Furanodienone", "names": [ "Furanodienone" ] }, { "compound_id": "C16962", "inchi": "InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19-,21-,22+,23-,24+/m1/s1", "name": "Gamabufogenin", "names": [ "Gamabufogenin", "Gamabufotalin" ] }, { "compound_id": "C16963", "inchi": "InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1", "name": "Gardoside", "names": [ "Gardoside" ] }, { "compound_id": "C16964", "inchi": "InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1", "name": "Gastrodin", "names": [ "4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside", "Gastrodin" ] }, { "compound_id": "C16965", "inchi": "InChI=1S/C23H34O15/c1-33-20(32)10-6-34-21(13-8(4-24)2-3-9(10)13)38-23-19(31)17(29)15(27)12(37-23)7-35-22-18(30)16(28)14(26)11(5-25)36-22/h2,6,9,11-19,21-31H,3-5,7H2,1H3/t9-,11-,12-,13-,14-,15-,16+,17+,18-,19-,21?,22-,23?/m1/s1", "name": "Genipin 1-beta-gentiobioside", "names": [ "Genipin 1-beta-gentiobioside" ] }, { "compound_id": "C16966", "inchi": "InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7-", "name": "Germacrone", "names": [ "Germacrone" ] }, { "compound_id": "C16967", "inchi": "InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28+,29-,30+/m1/s1", "name": "Glutinone", "names": [ "Alnusenone", "Glutinone" ] }, { "compound_id": "C16968", "inchi": "InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3", "name": "Glycyrol", "names": [ "Glycyrol", "Neoglycyrol" ] }, { "compound_id": "C16969", "inchi": "InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1", "name": "Hellebrigenin", "names": [ "Bufotalidin", "Hellebrigenin" ] }, { "compound_id": "C16970", "inchi": "InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13?,15+/m0/s1", "name": "Hinesol", "names": [ "Hinesol" ] }, { "compound_id": "C16971", "inchi": "InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13+/t14-,17-,20+/m0/s1", "name": "Hirsuteine", "names": [ "Hirsuteine" ] }, { "compound_id": "C16972", "inchi": "InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1", "name": "Hirsutine", "names": [ "Hirsutine" ] }, { "compound_id": "C16973", "inchi": "InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22+,23-,24-,25-,27+,28-,29-,30+/m0/s1", "name": "Isoarborinol", "names": [ "Isoarborinol" ] }, { "compound_id": "C16974", "inchi": "InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3/t12-,13+,14-,15+/m1/s1", "name": "Isocyperol", "names": [ "Isocyperol" ] }, { "compound_id": "C16975", "inchi": "InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+", "name": "Isoelemicin", "names": [ "Isoelemicin" ] }, { "compound_id": "C16976", "inchi": "InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3", "name": "Isoimperatorin", "names": [ "Isoimperatorin" ] }, { "compound_id": "C16977", "inchi": "InChI=1S/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3/t10-,11+,12-/m0/s1", "name": "Isokobusone", "names": [ "Isokobusone" ] }, { "compound_id": "C16978", "inchi": "InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1", "name": "Isoliquiritin", "names": [ "Isoliquiritin" ] }, { "compound_id": "C16979", "inchi": "InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2/t11-,15-,16+,17-,19+/m1/s1", "name": "Isomangiferin", "names": [ "Isomangiferin" ] }, { "compound_id": "C16980", "inchi": "InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1", "name": "Isorhynchophylline", "names": [ "Isorhynchophylline" ] }, { "compound_id": "C16981", "inchi": "InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1", "name": "Kaempferitrin", "names": [ "Kaempferitrin", "Kaempferol-dirhamnoside", "Lespenefril" ] }, { "compound_id": "C16982", "inchi": "InChI=1S/C10H10O4/c1-2-7(11)6-3-9-10(4-8(6)12)14-5-13-9/h3-4,12H,2,5H2,1H3", "name": "Kakuol", "names": [ "Kakoul", "Kakuol" ] }, { "compound_id": "C16983", "inchi": "InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3/t9-,10+,12?,14+/m0/s1", "name": "Kobusone", "names": [ "Kobusone" ] }, { "compound_id": "C16984", "inchi": "InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1", "name": "Laurolitsine", "names": [ "Laurolitsine" ] }, { "compound_id": "C16985", "inchi": "InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)", "name": "Leonurine", "names": [ "Leonurine", "Norboldine" ] }, { "compound_id": "C16986", "inchi": "InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t17-/m0/s1", "name": "Licoricidin", "names": [ "Licoricidin" ] }, { "compound_id": "C16987", "inchi": "InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-", "name": "Ligustilide", "names": [ "Ligustilide" ] }, { "compound_id": "C16988", "inchi": "InChI=1S/C15H18O2/c1-7-6-17-11-5-15(3)10-4-9(10)8(2)13(15)14(16)12(7)11/h6,9-10,13-14,16H,2,4-5H2,1,3H3/t9-,10-,13-,14+,15+/m1/s1", "name": "Linderenol", "names": [ "Linderene", "Linderenol" ] }, { "compound_id": "C16989", "inchi": "InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1", "name": "Liquiritin", "names": [ "Liquiritigenin-4'-beta-glucoside", "Liquiritin" ] }, { "compound_id": "C16990", "inchi": "InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1", "name": "Lupenone", "names": [ "Lupenone" ] }, { "compound_id": "C16991", "inchi": "InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-19(23-3)18(22)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)/p+1/t17-/m1/s1", "name": "Magnocurarine", "names": [ "Magnocurarine" ] }, { "compound_id": "C16992", "inchi": "InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15?,16?,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1", "name": "Callinecdysone A", "names": [ "Callinecdysone A" ] }, { "compound_id": "C16993", "inchi": "InChI=1S/C11H16/c1-2-3-8-11-9-6-4-5-7-10-11/h3-4,6-8,10-11H,2,5,9H2,1H3/t11-/m0/s1", "name": "Ectocarpen", "names": [ "Ectocarpen" ] }, { "compound_id": "C16994", "inchi": "InChI=1S/C7H15NO4/c1-8(2,3)4-5(9)6(10)7(11)12/h5-6,9-10H,4H2,1-3H3/t5-,6+/m0/s1", "name": "Anthopleurine", "names": [ "Anthopleurine" ] }, { "compound_id": "C16995", "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3", "name": "Methyl palmitate", "names": [ "Methyl palmitate" ] }, { "compound_id": "C16996", "inchi": "InChI=1S/C16H12N2O3/c1-20-14-12-13-10(7-8-17-12)9-5-3-4-6-11(9)18(13)16(19)15(14)21-2/h3-8H,1-2H3", "name": "Methyl nigakinone", "names": [ "Methyl nigakinone" ] }, { "compound_id": "C16997", "inchi": "InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/t15-,16+/m0/s1", "name": "Michelalbine", "names": [ "Michelalbine" ] }, { "compound_id": "C16998", "inchi": "InChI=1S/C37H59NO9/c1-20(19-45-23(4)41)8-7-9-21(2)26-10-11-27-31-28(13-15-37(26,27)6)36(5)14-12-25(42)16-24(36)17-29(31)46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35/h16,20-21,26-35,39,43-44H,7-15,17-19H2,1-6H3,(H,38,40)/t20-,21-,26-,27-,28-,29?,30-,31-,32-,33-,34-,35?,36+,37-/m1/s1", "name": "Pavoninin 1", "names": [ "Pavoninin 1" ] }, { "compound_id": "C16999", "inchi": "InChI=1S/C19H18N4O7/c24-11(9-2-1-3-10(6-9)19(28)29)4-5-12-14(25)15(26)18(30-12)23-8-22-13-16(23)20-7-21-17(13)27/h1-3,6-8,12,14-15,18,25-26H,4-5H2,(H,28,29)(H,20,21,27)/t12-,14-,15-,18-/m1/s1", "name": "Futalosine", "names": [ "Futalosine" ] }, { "compound_id": "C17000", "inchi": "InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1", "name": "Morroniside", "names": [ "Morroniside" ] }, { "compound_id": "C17002", "inchi": "InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1", "name": "Neocnidilide", "names": [ "Neocnidilide" ] }, { "compound_id": "C17003", "inchi": "InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22+,23-,24-,25-,26-,27+/m0/s1", "name": "Neogitogenin", "names": [ "Neogitogenin" ] }, { "compound_id": "C17005", "inchi": "InChI=1S/C23H24O3/c1-2-3-18-22(25)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20-23(26)21-24/h1,3,10,12,18,22-26H,7,9,11,14,16,19,21H2/b12-10-,18-3-", "name": "Callytriol C", "names": [ "Callytriol C" ] }, { "compound_id": "C17007", "inchi": "InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15-,16-/m1/s1", "name": "Axisothiocyanate 3", "names": [ "Axisothiocyanate 3" ] }, { "compound_id": "C17008", "inchi": "InChI=1S/C24H41NO10/c1-12-9-24(31-7,35-14(3)13(12)2)19(28)21(29)25-22-18-17(32-11-33-22)20(30-6)23(4,5)16(34-18)8-15(27)10-26/h13-20,22,26-28H,1,8-11H2,2-7H3,(H,25,29)/t13-,14-,15+,16?,17+,18+,19-,20-,22+,24-/m1/s1", "name": "Mycalamide A", "names": [ "Mycalamide A" ] }, { "compound_id": "C17009", "inchi": "InChI=1S/C25H43NO10/c1-13-10-25(32-8,36-15(3)14(13)2)20(28)22(29)26-23-19-18(33-12-34-23)21(31-7)24(4,5)17(35-19)9-16(11-27)30-6/h14-21,23,27-28H,1,9-12H2,2-8H3,(H,26,29)/t14-,15-,16+,17?,18+,19+,20-,21-,23+,25-/m1/s1", "name": "Mycalamide B", "names": [ "Mycalamide B" ] }, { "compound_id": "C17010", "inchi": "InChI=1S/C14H16O7/c15-9(7-2-1-3-8(6-7)13(18)19)4-5-10-11(16)12(17)14(20)21-10/h1-3,6,10-12,14,16-17,20H,4-5H2,(H,18,19)/t10-,11-,12-,14?/m1/s1", "name": "de-Hypoxanthine futalosine", "names": [ "Dehypoxanthine futalosine", "de-Hypoxanthine futalosine" ] }, { "compound_id": "C17011", "inchi": "InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6?,7?,8-,9?,10-,11+,12-,13+,14+,15?/m1/s1", "name": "Leonuridine", "names": [ "Leonuridine" ] }, { "compound_id": "C17012", "inchi": "InChI=1S/C21H30O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9-12,14,16-18,23-24H,7-8H2,1-5H3/t9-,10-,11+,12+,14-,16+,17-,18+,20-,21+/m1/s1", "name": "Nigakilactone A", "names": [ "Nigakilactone A", "Quassin" ] }, { "compound_id": "C17013", "inchi": "InChI=1S/C22H32O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10-13,15,17-19,24H,8-9H2,1-6H3/t10-,11-,12+,13+,15-,17-,18+,19+,21-,22+/m1/s1", "name": "Nigakilactone B", "names": [ "Nigakilactone B", "Quassin", "Simalikalactone A" ] }, { "compound_id": "C17016", "inchi": "InChI=1S/C20H14N4/c1-4-16(13-21-8-1)19-12-15(7-11-23-19)18-6-3-10-24-20(18)17-5-2-9-22-14-17/h1-14H", "name": "Nemertelline", "names": [ "Nemertelline" ] }, { "compound_id": "C17017", "inchi": "InChI=1S/C14H14O7/c15-9-3-4-14(11(17)10(16)13(20)21-14)8-2-1-6(12(18)19)5-7(8)9/h1-2,5,10-11,13,16-17,20H,3-4H2,(H,18,19)/t10-,11+,13?,14?/m1/s1", "name": "Cyclic de-hypoxanthine futalosine", "names": [ "Cyclic de-hypoxanthine futalosine" ] }, { "compound_id": "C17018", "inchi": "InChI=1S/C11H8O4/c12-9-3-4-10(13)8-5-6(11(14)15)1-2-7(8)9/h1-5,12-13H,(H,14,15)", "name": "1,4-Dihydroxy-6-naphthoate", "names": [ "1,4-Dihydroxy-6-naphthoate" ] }, { "compound_id": "C17019", "inchi": "InChI=1S/C15H15NO/c1-14(17)9-6-4-2-3-5-7-10-15-11-8-12-16-13-15/h2-13H,1H3/b4-2+,5-3+,9-6+,10-7+", "name": "Navenone A", "names": [ "Navenone A" ] }, { "compound_id": "C17020", "inchi": "InChI=1S/C16H16O/c1-15(17)11-7-4-2-3-5-8-12-16-13-9-6-10-14-16/h2-14H,1H3/b4-2+,5-3+,11-7+,12-8+", "name": "Navenone B", "names": [ "Navenone B" ] }, { "compound_id": "C17021", "inchi": "InChI=1S/C16H16O2/c1-14(17)8-6-4-2-3-5-7-9-15-10-12-16(18)13-11-15/h2-13,18H,1H3/b4-2+,5-3+,8-6+,9-7+", "name": "Navenone C", "names": [ "Navenone C" ] }, { "compound_id": "C17022", "inchi": null, "name": "O-Phosphoseryl-tRNA(Cys)", "names": [ "O-Phosphoseryl-tRNA(Cys)" ] }, { "compound_id": "C17023", "inchi": null, "name": "Sulfur donor", "names": [ "S-donor", "Sulfur donor" ] }, { "compound_id": "C17024", "inchi": "InChI=1S/C35H60O10/c1-18(17-43-20(3)37)7-6-8-19(2)23-9-10-24-29-25(15-28(39)35(23,24)5)34(4)12-11-22(38)13-21(34)14-26(29)44-33-32(42)31(41)30(40)27(16-36)45-33/h18-19,21-33,36,38-42H,6-17H2,1-5H3/t18-,19-,21+,22-,23-,24?,25?,26?,27-,28+,29?,30+,31+,32-,33?,34+,35-/m1/s1", "name": "Mosesin 4", "names": [ "Mosesin 4" ] }, { "compound_id": "C17025", "inchi": null, "name": "Holothurin", "names": [ "Holothurin" ] }, { "compound_id": "C17027", "inchi": null, "name": "L-Pyrrolysyl-tRNA(Pyl)", "names": [ "L-Pyrrolysyl-tRNA(Pyl)" ] }, { "compound_id": "C17029", "inchi": "InChI=1S/C24H34O7/c1-11-8-16(28-6)22(27)24(5)14(11)9-17-23(4)15(10-18(26)31-17)12(2)19(29-7)20(21(23)24)30-13(3)25/h8,11-12,14-15,17,19-21H,9-10H2,1-7H3/t11-,12-,14+,15+,17-,19+,20-,21+,23-,24+/m1/s1", "name": "Nigakilactone C", "names": [ "Nigakilactone C", "Quassin" ] }, { "compound_id": "C17030", "inchi": "InChI=1S/C24H34O8/c1-11-8-14(29-6)20(27)22(3)13(11)9-16-23(4)15(10-17(26)32-16)24(5,28)21(30-7)18(19(22)23)31-12(2)25/h8,11,13,15-16,18-19,21,28H,9-10H2,1-7H3/t11-,13+,15-,16-,18+,19-,21-,22+,23-,24+/m1/s1", "name": "Nigakilactone E", "names": [ "Nigakilactone E" ] }, { "compound_id": "C17031", "inchi": "InChI=1S/C22H32O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-14,16-17,19,24,26H,8-9H2,1-6H3/t10-,11+,13-,14-,16+,17-,19-,20+,21-,22+/m1/s1", "name": "Nigakilactone F", "names": [ "Nigakilactone F" ] }, { "compound_id": "C17032", "inchi": "InChI=1S/C22H32O8/c1-10-7-12(28-5)17(25)19(2)11(10)8-13-20(3)16(19)15(24)18(29-6)21(4,26)22(20,27)9-14(23)30-13/h7,10-11,13,15-16,18,24,26-27H,8-9H2,1-6H3/t10-,11+,13-,15+,16-,18-,19+,20-,21-,22+/m1/s1", "name": "Nigakilactone H", "names": [ "Nigakilactone H" ] }, { "compound_id": "C17033", "inchi": "InChI=1S/C22H30O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,9-11,14,16-17,19,24,26H,8H2,1-6H3/t10-,11+,14-,16+,17-,19-,20+,21-,22+/m1/s1", "name": "Nigakilactone K", "names": [ "Nigakilactone K" ] }, { "compound_id": "C17034", "inchi": "InChI=1S/C22H30O7/c1-10-6-12(26-5)18(24)20(2)11(10)7-14-21(3)13(8-15(23)29-14)22(4,25)19-16(17(20)21)27-9-28-19/h6,10-11,13-14,16-17,19,25H,7-9H2,1-5H3/t10-,11+,13?,14-,16+,17-,19-,20+,21-,22+/m1/s1", "name": "Nigakilactone L", "names": [ "Nigakilactone L" ] }, { "compound_id": "C17035", "inchi": "InChI=1S/C21H30O7/c1-9-6-12(27-5)18(25)19(3)11(9)7-13-20(4)17(19)16(24)15(23)10(2)21(20,26)8-14(22)28-13/h6,9-11,13,15-17,23-24,26H,7-8H2,1-5H3/t9-,10+,11+,13-,15+,16-,17-,19+,20-,21-/m1/s1", "name": "Nigakilactone M", "names": [ "Nigakilactone M" ] }, { "compound_id": "C17036", "inchi": "InChI=1S/C21H30O7/c1-9-6-11(27-5)17(24)19(2)10(9)7-13-20(3)12(8-14(22)28-13)21(4,26)18(25)15(23)16(19)20/h6,9-10,12-13,15-16,18,23,25-26H,7-8H2,1-5H3/t9-,10+,12-,13-,15+,16-,18-,19+,20-,21+/m1/s1", "name": "Nigakilactone N", "names": [ "Nigakilactone N" ] }, { "compound_id": "C17038", "inchi": "InChI=1S/C39H62O12/c1-17-9-12-39(46-16-17)18(2)28-26(51-39)15-25-23-8-7-21-13-22(40)14-27(38(21,6)24(23)10-11-37(25,28)5)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h7,17-20,22-36,40-45H,8-16H2,1-6H3/t17-,18+,19+,20-,22-,23-,24+,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-/m1/s1", "name": "Ophiopogonin B", "names": [ "Ophiopogonin B" ] }, { "compound_id": "C17039", "inchi": "InChI=1S/C16H12O5/c1-7-6-9-12(16(21-2)13(7)18)15(20)11-8(14(9)19)4-3-5-10(11)17/h3-6,17-18H,1-2H3", "name": "Obtusifolin", "names": [ "Obtusifolin" ] }, { "compound_id": "C17040", "inchi": "InChI=1S/C18H16O7/c1-7-5-8-12(18(25-4)13(7)19)15(21)11-9(14(8)20)6-10(23-2)17(24-3)16(11)22/h5-6,19,22H,1-4H3", "name": "Obtusin", "names": [ "Obtusin" ] }, { "compound_id": "C17041", "inchi": "InChI=1S/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19+,20-,21+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1", "name": "Ophiopogonin A", "names": [ "Ophiopogonin A" ] }, { "compound_id": "C17042", "inchi": "InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3/t18-,19+,20+,21-,23-,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37?,38-,39?,40+,41+,42+,43+,44-/m1/s1", "name": "Ophiopogonin D", "names": [ "Ophiopogonin D" ] }, { "compound_id": "C17043", "inchi": null, "name": "Ophiopogonin C", "names": [ "Ophiopogonin C" ] }, { "compound_id": "C17044", "inchi": "InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1", "name": "Pachymic acid", "names": [ "Pachymic acid" ] }, { "compound_id": "C17045", "inchi": "InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3", "name": "Physcion", "names": [ "Emodin monomethyl ether", "Parienin", "Physcion", "Rheochrysidin" ] }, { "compound_id": "C17046", "inchi": "InChI=1S/C20H23NO4/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23)/p+1/t16-,21-/m0/s1", "name": "Phellodendrine", "names": [ "Phellodendrine" ] }, { "compound_id": "C17047", "inchi": "InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3", "name": "Phellopterin", "names": [ "Phellopterin" ] }, { "compound_id": "C17048", "inchi": "InChI=1S/C27H34O11/c1-32-17-6-4-13(8-19(17)33-2)25-15-11-36-26(16(15)12-35-25)14-5-7-18(20(9-14)34-3)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,15-16,21-31H,10-12H2,1-3H3/t15-,16-,21+,22+,23-,24+,25-,26+,27+/m0/s1", "name": "Forsythin", "names": [ "Forsythin", "Phillyrin" ] }, { "compound_id": "C17049", "inchi": "InChI=1S/C26H34O8/c1-12-6-16(32-5)23(31)25(3)14(12)8-18-26(4)17(9-20(29)34-18)24(2,10-15(27)21(25)26)22(30)13-7-19(28)33-11-13/h6,12-15,17-18,21,27H,7-11H2,1-5H3/t12-,13-,14+,15-,17+,18-,21-,24?,25+,26-/m1/s1", "name": "Picrasin A", "names": [ "Nigakilactone G", "Picrasin A" ] }, { "compound_id": "C17050", "inchi": "InChI=1S/C21H28O6/c1-9-6-13(22)19(25)21(4)11(9)7-14-20(3)12(8-15(23)27-14)10(2)17(26-5)16(24)18(20)21/h9,11-14,18,22H,6-8H2,1-5H3/t9-,11+,12+,13+,14-,18+,20-,21+/m1/s1", "name": "Picrasin B", "names": [ "Nigakilactone I", "Picrasin B" ] }, { "compound_id": "C17051", "inchi": "InChI=1S/C22H30O6/c1-10-6-14(25-5)20(24)22(4)12(10)7-15-21(3)13(8-16(23)28-15)11(2)17-18(19(21)22)27-9-26-17/h6,10-13,15,17-19H,7-9H2,1-5H3/t10-,11?,12+,13+,15-,17+,18-,19+,21-,22+/m1/s1", "name": "Picrasin D", "names": [ "Picrasin D" ] }, { "compound_id": "C17052", "inchi": "InChI=1S/C22H30O7/c1-10-6-13(26-5)19(24)20(3)12(10)7-14-21(4)18(20)17-16(27-9-28-17)11(2)22(21,25)8-15(23)29-14/h6,10-12,14,16-18,25H,7-9H2,1-5H3/t10-,11+,12+,14-,16+,17-,18-,20+,21-,22-/m1/s1", "name": "Picrasin E", "names": [ "Picrasin E" ] }, { "compound_id": "C17053", "inchi": "InChI=1S/C22H30O8/c1-10-6-12(27-5)17(24)19(2)11(10)7-13-20(3)16(19)15-18(29-9-28-15)21(4,25)22(20,26)8-14(23)30-13/h6,10-11,13,15-16,18,25-26H,7-9H2,1-5H3/t10-,11+,13-,15+,16-,18-,19+,20-,21-,22+/m1/s1", "name": "Picrasin F", "names": [ "Picrasin F" ] }, { "compound_id": "C17054", "inchi": "InChI=1S/C21H28O7/c1-9-6-12(22)18(25)19(3)11(9)7-13-20(4)17(19)15(24)16(27-5)10(2)21(20,26)8-14(23)28-13/h9,11-13,17,22,26H,6-8H2,1-5H3/t9-,11+,12+,13-,17-,19+,20-,21-/m1/s1", "name": "Picrasin G", "names": [ "Picrasin G" ] }, { "compound_id": "C17055", "inchi": "InChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12-,13+,14-,15-/m1/s1", "name": "Picrocrocin", "names": [ "Picrocrocin" ] }, { "compound_id": "C17056", "inchi": "InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21-/m1/s1", "name": "Plantaginin", "names": [ "Plantaginin", "Scutellarein 7beta-D-glucopyranoside" ] }, { "compound_id": "C17057", "inchi": "InChI=1S/C26H28O13/c27-7-16-20(32)21(33)22(34)25(38-16)17-15(39-26-23(35)19(31)14(29)9-37-26)6-5-12-18(30)13(8-36-24(12)17)10-1-3-11(28)4-2-10/h1-6,8,14,16,19-23,25-29,31-35H,7,9H2/t14-,16-,19+,20-,21+,22-,23-,25+,26-/m1/s1", "name": "Puerarin xyloside", "names": [ "Puerarin xyloside" ] }, { "compound_id": "C17058", "inchi": "InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17?,18?,19-,20-,22+,23-,24-/m1/s1", "name": "Resibufogenin", "names": [ "Bufogein", "Resibufogenin" ] }, { "compound_id": "C17059", "inchi": "InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3", "name": "Rhamnocitrin", "names": [ "3,4',5-Trihydroxy-7-methoxyflavone", "7-Methylkaempferol", "Rhamnocitrin" ] }, { "compound_id": "C17060", "inchi": "InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3", "name": "Isotetrandrine", "names": [ "Isotetrandrine" ] }, { "compound_id": "C17061", "inchi": "InChI=1/Rb/q+1", "name": "Rubidium cation", "names": [ "Rubidium cation" ] }, { "compound_id": "C17062", "inchi": "InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3", "name": "Safranal", "names": [ "Safranal" ] }, { "compound_id": "C17063", "inchi": "InChI=1S/C12H19NO2/c1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10/h5-6,9H,7-8H2,1-4H3/p+1", "name": "Salicifoline", "names": [ "Salicifoline" ] }, { "compound_id": "C17064", "inchi": "InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3", "name": "Schizandrin", "names": [ "Schizandrin" ] }, { "compound_id": "C17065", "inchi": "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)10-14(13)15/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+,15+/m0/s1", "name": "Sesquicarene", "names": [ "Sesquicarene" ] }, { "compound_id": "C17066", "inchi": "InChI=1S/C16H24O11/c1-16(24)2-6(18)8-5(13(22)23)4-25-14(9(8)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4,6-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t6-,7-,8+,9-,10-,11+,12-,14?,15?,16+/m1/s1", "name": "Shanzhiside", "names": [ "Shanzhiside" ] }, { "compound_id": "C17067", "inchi": "InChI=1S/C30H48O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1", "name": "Siaresinol", "names": [ "Siaresinol", "Siaresinolic acid" ] }, { "compound_id": "C17068", "inchi": "InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1", "name": "Valerosidatum", "names": [ "Valerosidate", "Valerosidatum" ] }, { "compound_id": "C17069", "inchi": "InChI=1S/C15H24N2O2/c18-13-6-1-5-12-11-4-2-8-16-9-3-7-15(19,14(11)16)10-17(12)13/h11-12,14,19H,1-10H2/t11-,12-,14-,15-/m1/s1", "name": "Sophoranol", "names": [ "5-Hydroxymatrine", "Sophoranol" ] }, { "compound_id": "C17070", "inchi": "InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30-/m0/s1", "name": "Sumaresinol", "names": [ "Sumaresinol", "Sumaresinolic acid" ] }, { "compound_id": "C17071", "inchi": "InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15?,16?/m1/s1", "name": "Sweroside", "names": [ "Sweroside" ] }, { "compound_id": "C17072", "inchi": "InChI=1S/C24H34O5/c1-21-9-5-16(25)13-23(21,27)11-7-19-18(21)6-10-22(2)17(8-12-24(19,22)28)15-3-4-20(26)29-14-15/h3-4,14,16-19,25,27-28H,5-13H2,1-2H3/t16-,17+,18-,19+,21+,22+,23-,24-/m0/s1", "name": "Telocinobufagin", "names": [ "Telocinobufagin" ] }, { "compound_id": "C17073", "inchi": "InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3", "name": "Terpineol-4", "names": [ "Terpinen-4-ol", "Terpineol-4" ] }, { "compound_id": "C17074", "inchi": "InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17?,18-,19+,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+/m0/s1", "name": "Timosaponin A-I", "names": [ "Timosaponin A-I" ] }, { "compound_id": "C17075", "inchi": "InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1", "name": "Timosaponin A-III", "names": [ "Timosaponin A-III" ] }, { "compound_id": "C17076", "inchi": "InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)", "name": "Tridecanoic acid", "names": [ "Tridecanoic acid" ] }, { "compound_id": "C17077", "inchi": "InChI=1S/C18H19NO3/c1-21-15-8-11-5-6-19-14-7-10-3-4-12(20)9-13(10)17(16(11)14)18(15)22-2/h3-4,8-9,14,19-20H,5-7H2,1-2H3/t14-/m1/s1", "name": "Tuduranine", "names": [ "Tuduranine" ] }, { "compound_id": "C17079", "inchi": "InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)", "name": "3-Bromo-tyrosine", "names": [ "3-Bromo-tyrosine", "3-Bromotyrosine" ] }, { "compound_id": "C17080", "inchi": "InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)", "name": "3,5-Dibromo-tyrosine", "names": [ "3,5-Dibromo-tyrosine", "3,5-Dibromotyrosine" ] }, { "compound_id": "C17083", "inchi": "InChI=1S/C20H16NO4/c1-11-14-6-18-17(23-10-24-18)5-13(14)8-21-3-2-12-4-16-19(25-9-22-16)7-15(12)20(11)21/h4-8H,2-3,9-10H2,1H3/q+1", "name": "Worenine", "names": [ "Worenine" ] }, { "compound_id": "C17084", "inchi": "InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19-20H/b14-13+", "name": "6,6'-Dibromoindigotin", "names": [ "6,6'-Dibromoindigo", "6,6'-Dibromoindigotin" ] }, { "compound_id": "C17085", "inchi": "InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5-/t14-,15-/m1/s1", "name": "Zederone", "names": [ "Zederone" ] }, { "compound_id": "C17086", "inchi": "InChI=1S/C9H8BrNO4S2/c1-16-9-8(15-17(12,13)14)6-3-2-5(10)4-7(6)11-9/h2-4,11H,1H3,(H,12,13,14)", "name": "Tyrindoxyl sulfate", "names": [ "Tyrindoxyl sulfate" ] }, { "compound_id": "C17087", "inchi": "InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11-,12-,13-,15-/m1/s1", "name": "dTDP-(3R)-amino-3,6-dideoxy-D-glucose", "names": [ "dTDP-(3R)-amino-3,6-dideoxy-D-glucose", "dTDP-3-amino-3,6-dideoxy-D-allose" ] }, { "compound_id": "C17088", "inchi": "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3", "name": "alpha-Bergamotene", "names": [ "alpha-Bergamotene" ] }, { "compound_id": "C17089", "inchi": "InChI=1S/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H", "name": "6-Chloroindole", "names": [ "6-Chloro-1H-indole", "6-Chloroindole" ] }, { "compound_id": "C17090", "inchi": "InChI=1/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1", "name": "alpha-Cyperone", "names": [ "alpha-Cyperone" ] }, { "compound_id": "C17091", "inchi": "InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8-,13-12+", "name": "alpha-Sanshool", "names": [ "alpha-Sanshool" ] }, { "compound_id": "C17092", "inchi": "InChI=1S/C19H18BrN3O4/c20-12-1-2-13-11(9-23-15(13)8-12)7-14(21)19(27)22-4-3-10-5-16(24)18(26)17(25)6-10/h1-6,8-9,14,23-26H,7,21H2,(H,22,27)/b4-3+/t14-/m0/s1", "name": "Clionamide", "names": [ "Clionamide" ] }, { "compound_id": "C17093", "inchi": "InChI=1S/C16H25N3O13P2/c1-7-5-19(16(23)18-14(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)9(17)3-8(2)29-15/h3,5,8,10-13,15,20-21H,4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,10+,11-,12-,13-,15-/m1/s1", "name": "dTDP-3-amino-4,6-deoxy-3,4-dehydroglucose", "names": [ "dTDP-3-amino-4,6-deoxy-3,4-dehydroglucose" ] }, { "compound_id": "C17094", "inchi": "InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1", "name": "beta-Elemene", "names": [ "beta-Elemene" ] }, { "compound_id": "C17097", "inchi": "InChI=1S/C24H18N2O4/c1-29-23(27)17-11-15-13-7-3-6-10-20(13)26-22(15)18(24(28)30-2)12-16-14-8-4-5-9-19(14)25-21(16)17/h3-12,25-26H,1-2H3/b15-11-,16-12-,17-11+,18-12+,21-17-,22-18-", "name": "Caulerpin", "names": [ "Caulerpin" ] }, { "compound_id": "C17098", "inchi": "InChI=1S/C7H6Br2O3/c8-5-3(2-10)1-4(11)7(12)6(5)9/h1,10-12H,2H2", "name": "Lanosol", "names": [ "2,3-Dibromo-4,5-dihydroxybenzyl alcohol", "Lanosol" ] }, { "compound_id": "C17099", "inchi": "InChI=1S/C9H9Br2NO3/c1-15-7-5(10)4-9(14,2-3-12)8(13)6(7)11/h4,8,13-14H,2H2,1H3/t8-,9-/m0/s1", "name": "Aeroplysinin 1", "names": [ "Aeroplysinin 1" ] }, { "compound_id": "C17100", "inchi": "InChI=1S/C14H9Br3O3/c15-9-2-7(6-18)1-8-3-14(20-13(8)9)4-10(16)12(19)11(17)5-14/h1-2,4-5,18H,3,6H2", "name": "Thelepin", "names": [ "Thelepin" ] }, { "compound_id": "C17101", "inchi": "InChI=1S/C7H6N2O6/c1-15-7-5(9(13)14)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3", "name": "3,5-Dinitroguaiacol", "names": [ "3,5-Dinitroguaiacol" ] }, { "compound_id": "C17102", "inchi": "InChI=1S/C10H11Cl3O/c1-3-10(2,13)9(12)5-4-8(6-11)7-14/h3-7,9H,1H2,2H3/b5-4+,8-6+", "name": "Cartilagineal", "names": [ "Cartilagineal" ] }, { "compound_id": "C17103", "inchi": "InChI=1S/C10H14BrCl3O/c1-6(5-12)8(13)3-9(14)7(2)10(15)4-11/h5,8,10,15H,3-4H2,1-2H3/b6-5-,9-7+/t8-,10-/m1/s1", "name": "Costatol", "names": [ "Costatol" ] }, { "compound_id": "C17104", "inchi": "InChI=1S/C10H12Br2Cl2O2/c1-5(4-13)8-3-7(14)6(2)10(15,16-8)9(11)12/h4,8-9,15H,3H2,1-2H3/b5-4-/t8-,10+/m0/s1", "name": "Costatone", "names": [ "Costatone" ] }, { "compound_id": "C17105", "inchi": "InChI=1S/C10H13Cl3/c1-7-6-10(2,3-4-11)9(13)5-8(7)12/h3-4,8-9H,1,5-6H2,2H3/b4-3+/t8-,9+,10-/m0/s1", "name": "Plocamene D", "names": [ "Plocamene D" ] }, { "compound_id": "C17106", "inchi": "InChI=1S/C10H14BrCl3/c1-9(3-4-12)6-10(2,14)8(13)5-7(9)11/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8+,9-,10+/m1/s1", "name": "Mertensene", "names": [ "Mertensene" ] }, { "compound_id": "C17107", "inchi": "InChI=1S/C10H13BrCl4/c1-9(2-3-12)5-10(15,6-11)8(14)4-7(9)13/h2-3,7-8H,4-6H2,1H3/b3-2+/t7-,8+,9+,10+/m1/s1", "name": "Violacene", "names": [ "Violacene" ] }, { "compound_id": "C17108", "inchi": "InChI=1S/C10H13Cl3/c1-7-6-10(2,13)9(12)5-8(7)3-4-11/h3-4,8-9H,1,5-6H2,2H3/b4-3+/t8-,9+,10-/m1/s1", "name": "Plocamene E", "names": [ "Plocamene E" ] }, { "compound_id": "C17109", "inchi": "InChI=1S/C10H14BrCl3/c1-9(11)6-10(2,14)8(13)5-7(9)3-4-12/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8+,9-,10-/m1/s1", "name": "Plocamene C", "names": [ "Plocamene C" ] }, { "compound_id": "C17110", "inchi": "InChI=1S/C10H13Cl3/c1-7-6-10(2,13)9(12)5-8(7)3-4-11/h3-4,9H,5-6H2,1-2H3/b4-3+/t9-,10+/m0/s1", "name": "Plocamene B", "names": [ "Plocamene B" ] }, { "compound_id": "C17111", "inchi": "InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,18)11(17)7-9/h9-12,19H,5-8H2,1-4H3/t9-,10+,11-,12+,14-,15+/m0/s1", "name": "Caespitol", "names": [ "Caespitol" ] }, { "compound_id": "C17112", "inchi": "InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,17)11(18)7-9/h9-12,19H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m0/s1", "name": "Isocaespitol", "names": [ "Isocaespitol" ] }, { "compound_id": "C17113", "inchi": "InChI=1S/C12H16BrClO/c1-8-10(4-6-15-8)9-3-5-12(2,14)11(13)7-9/h4,6,9,11H,3,5,7H2,1-2H3/t9-,11-,12-/m0/s1", "name": "Furocaespitane", "names": [ "Furocaespitane" ] }, { "compound_id": "C17120", "inchi": "InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-14H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,14-/m1/s1", "name": "beta-Gurjunene", "names": [ "beta-Gurjunene" ] }, { "compound_id": "C17123", "inchi": "InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1", "name": "epi-Friedelanol", "names": [ "beta-Friedelinol", "epi-Friedelanol" ] }, { "compound_id": "C17124", "inchi": "InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1", "name": "gamma-Eudesmol", "names": [ "Machilol", "Selinenol", "Uncineol", "gamma-Eudesmol" ] }, { "compound_id": "C17125", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1", "name": "(-)-Isomenthone", "names": [ "(-)-Isomenthone", "l-Isomenthone" ] }, { "compound_id": "C17126", "inchi": "InChI=1S/C17H16O6/c1-9(2)12(18)8-22-17-15-11(6-7-21-15)14(20-3)10-4-5-13(19)23-16(10)17/h4-7,12,18H,1,8H2,2-3H3", "name": "Neobyakangelicol", "names": [ "Neobyakangelicol" ] }, { "compound_id": "C17139", "inchi": "InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-9,11-13,19H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,11+,12+,13+/m0/s1", "name": "dTDP-3,4-dioxo-2,6-dideoxy-L-glucose", "names": [ "dTDP-3,4-dioxo-2,6-dideoxy-L-glucose" ] }, { "compound_id": "C17140", "inchi": "InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1", "name": "Tribuloside", "names": [ "Tribuloside" ] }, { "compound_id": "C17141", "inchi": null, "name": "[Heparan sulfate]-glucosamine", "names": [ "[Heparan sulfate]-glucosamine" ] }, { "compound_id": "C17142", "inchi": null, "name": "[Heparan sulfate]-N-sulfoglucosamine", "names": [ "[Heparan sulfate]-N-sulfoglucosamine" ] }, { "compound_id": "C17144", "inchi": "InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3", "name": "3-Octanol", "names": [ "3-Octanol" ] }, { "compound_id": "C17145", "inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3", "name": "3-Octanone", "names": [ "3-Octanone" ] }, { "compound_id": "C17146", "inchi": "InChI=1S/C5H13N3O/c6-5(7)8-3-1-2-4-9/h9H,1-4H2,(H4,6,7,8)", "name": "4-Guanidino-1-butanol", "names": [ "4-Guanidino-1-butanol" ] }, { "compound_id": "C17147", "inchi": "InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1", "name": "Neochlorogenic acid", "names": [ "Neochlorogenate", "Neochlorogenic acid", "trans-Neochlorogenic acid" ] }, { "compound_id": "C17148", "inchi": "InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1", "name": "Oleanolic acid", "names": [ "3beta-Hydroxyolean-12-en-28-oic acid", "Astrantiagenin C", "Caryophyllin", "Oleanolic acid" ] }, { "compound_id": "C17158", "inchi": "InChI=1S/C17H30O4/c1-5-8-9-13(6-2)11-17(4)12-14(7-3)15(20-21-17)10-16(18)19/h8-9,13-15H,5-7,10-12H2,1-4H3,(H,18,19)/b9-8+", "name": "Plakortic acid", "names": [ "Plakortic acid" ] }, { "compound_id": "C17159", "inchi": "InChI=1S/C29H52O12S3/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)/t17-,18+,19+,20-,21+,22+,23-,24+,25+,26+,28-,29-/m1/s1", "name": "Halistanol sulfate", "names": [ "Halistanol sulfate" ] }, { "compound_id": "C17160", "inchi": "InChI=1S/C22H21Br4N3O8/c1-34-18-13(25)4-22(19(31)16(18)26)5-14(29-37-22)20(32)27-6-10(30)8-35-17-11(23)2-9(3-12(17)24)15-7-28-21(33)36-15/h2-4,10,15,19,30-31H,5-8H2,1H3,(H,27,32)(H,28,33)", "name": "Fistularin 1", "names": [ "Fistularin 1" ] }, { "compound_id": "C17161", "inchi": "InChI=1S/C22H21Br4N3O8/c1-34-18-13(25)4-22(19(31)16(18)26)5-14(29-37-22)20(32)27-7-15(30)9-2-11(23)17(12(24)3-9)35-8-10-6-28-21(33)36-10/h2-4,10,15,19,30-31H,5-8H2,1H3,(H,27,32)(H,28,33)", "name": "Fistularin 2", "names": [ "Fistularin 2" ] }, { "compound_id": "C17162", "inchi": "InChI=1S/C15H16Br2N4O4/c1-24-12-9(16)4-15(13(22)11(12)17)5-10(21-25-15)14(23)19-3-2-8-6-18-7-20-8/h4,6-7,13,22H,2-3,5H2,1H3,(H,18,20)(H,19,23)/t13-,15+/m0/s1", "name": "Aerophobin 1", "names": [ "Aerophobin 1" ] }, { "compound_id": "C17163", "inchi": "InChI=1S/C16H19Br2N5O4/c1-26-12-9(17)5-16(13(24)11(12)18)6-10(23-27-16)14(25)20-4-2-3-8-7-21-15(19)22-8/h5,7,13,24H,2-4,6H2,1H3,(H,20,25)(H3,19,21,22)/t13-,16+/m0/s1", "name": "Aerophobin 2", "names": [ "Aerophobin 2" ] }, { "compound_id": "C17166", "inchi": "InChI=1S/C22H24Br2N10O2/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-20(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(25)33-15/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t11-,12-,17-,18-/m1/s1", "name": "Sceptrin", "names": [ "Sceptrin" ] }, { "compound_id": "C17167", "inchi": "InChI=1S/C14H16BrN3O2S/c15-9-4-11-8(3-12(9)19)7-1-2-18-14(13(7)17-11)10(16)5-21-6-20-18/h3-4,10,14,17,19H,1-2,5-6,16H2/t10-,14+/m1/s1", "name": "Eudistomin C", "names": [ "Eudistomin C" ] }, { "compound_id": "C17168", "inchi": "InChI=1S/C15H12BrN3/c16-9-3-4-12-11(8-9)10-5-7-18-15(14(10)19-12)13-2-1-6-17-13/h3-5,7-8,19H,1-2,6H2", "name": "Eudistomin H", "names": [ "Eudistomin H" ] }, { "compound_id": "C17169", "inchi": "InChI=1S/C11H7BrN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H", "name": "Eudistomin N", "names": [ "Eudistomin N" ] }, { "compound_id": "C17202", "inchi": null, "name": "S-Palmitoylprotein", "names": [ "Protein S-palmitoyl-L-cysteine", "S-Palmitoylprotein" ] }, { "compound_id": "C17203", "inchi": "InChI=1S/C10H12N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-13H,5-6H2", "name": "N-Hydroxyl-tryptamine", "names": [ "N-Hydroxyl-tryptamine" ] }, { "compound_id": "C17204", "inchi": "InChI=1S/C10H10N2O2/c13-12(14)6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2,(H,13,14)", "name": "Indole-3-acetaldoxime N-oxide", "names": [ "IAOx N-oxide", "Indole-3-acetaldoxime N-oxide" ] }, { "compound_id": "C17205", "inchi": "InChI=1S/C3H6O6S/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H,6,7,8)/t2-/m1/s1", "name": "(R)-2-O-Sulfolactate", "names": [ "(R)-2-O-Sulfolactate" ] }, { "compound_id": "C17206", "inchi": "InChI=1S/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)", "name": "Uracil 5-carbaldehyde", "names": [ "5-Formyluracil", "Uracil 5-carbaldehyde" ] }, { "compound_id": "C17207", "inchi": "", "name": "1,4-beta-D-Mannooligosaccharide", "names": [ "1,4-beta-D-Mannooligosaccharide" ] }, { "compound_id": "C17209", "inchi": "InChI=1S/C6H10O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-7,9-11H,1H2/t2-,4+,5-,6-/m1/s1", "name": "2-Deoxy-scyllo-inosose", "names": [ "2-Deoxy-scyllo-inosose", "2-Deoxyinosose" ] }, { "compound_id": "C17210", "inchi": "InChI=1S/C7H12O5S/c1-13-3-2-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)", "name": "2-(2'-Methylthio)ethylmalic acid", "names": [ "2-(2'-Methylthio)ethylmalate", "2-(2'-Methylthio)ethylmalic acid" ] }, { "compound_id": "C17211", "inchi": "InChI=1S/C6H10O3S/c1-10-4-2-3-5(7)6(8)9/h2-4H2,1H3,(H,8,9)", "name": "2-Oxo-5-methylthiopentanoic acid", "names": [ "2-Oxo-5-methylthiopentanoic acid", "5-(Methylthio)-2-oxo-pentanoic acid" ] }, { "compound_id": "C17212", "inchi": "InChI=1S/C7H12O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)", "name": "3-(2'-Methylthio)ethylmalic acid", "names": [ "3-(2'-Methylthio)ethylmalate", "3-(2'-Methylthio)ethylmalic acid" ] }, { "compound_id": "C17213", "inchi": "InChI=1S/C6H13NO2S/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)", "name": "Homomethionine", "names": [ "Homomethionine" ] }, { "compound_id": "C17214", "inchi": "InChI=1S/C8H14O5S/c1-14-4-2-3-8(13,7(11)12)5-6(9)10/h13H,2-5H2,1H3,(H,9,10)(H,11,12)", "name": "2-(3'-Methylthio)propylmalic acid", "names": [ "2-(3'-Methylthio)propylmalate", "2-(3'-Methylthio)propylmalic acid" ] }, { "compound_id": "C17215", "inchi": "InChI=1S/C8H14O5S/c1-14-4-2-3-5(7(10)11)6(9)8(12)13/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)", "name": "3-(3'-Methylthio)propylmalic acid", "names": [ "3-(3'-Methylthio)propylmalate", "3-(3'-Methylthio)propylmalic acid" ] }, { "compound_id": "C17216", "inchi": "InChI=1S/C7H12O3S/c1-11-5-3-2-4-6(8)7(9)10/h2-5H2,1H3,(H,9,10)", "name": "2-Oxo-6-methylthiohexanoic acid", "names": [ "2-Oxo-6-methylthiohexanoic acid", "6-(Methylthio)-2-oxo-hexanoic acid" ] }, { "compound_id": "C17217", "inchi": "InChI=1S/C7H15NO2S/c1-11-5-3-2-4-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)", "name": "Dihomomethionine", "names": [ "Dihomomethionine" ] }, { "compound_id": "C17218", "inchi": "InChI=1S/C9H16O5S/c1-15-5-3-2-4-9(14,8(12)13)6-7(10)11/h14H,2-6H2,1H3,(H,10,11)(H,12,13)", "name": "2-(4'-Methylthio)butylmalic acid", "names": [ "2-(4'-Methylthio)butylmalate", "2-(4'-Methylthio)butylmalic acid" ] }, { "compound_id": "C17219", "inchi": "InChI=1S/C9H16O5S/c1-15-5-3-2-4-6(8(11)12)7(10)9(13)14/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)", "name": "3-(4'-Methylthio)butylmalic acid", "names": [ "3-(4'-Methylthio)butylmalate", "3-(4'-Methylthio)butylmalic acid" ] }, { "compound_id": "C17220", "inchi": "InChI=1S/C8H14O3S/c1-12-6-4-2-3-5-7(9)8(10)11/h2-6H2,1H3,(H,10,11)", "name": "2-Oxo-7-methylthioheptanoic acid", "names": [ "2-Oxo-7-methylthioheptanoic acid", "7-(Methylthio)-2-oxo-heptanoic acid" ] }, { "compound_id": "C17221", "inchi": "InChI=1S/C8H17NO2S/c1-12-6-4-2-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)", "name": "Trihomomethionine", "names": [ "2-Amino-7-(methylsulfanyl)heptanoic acid", "Trihomomethionine" ] }, { "compound_id": "C17222", "inchi": "InChI=1S/C10H18O5S/c1-16-6-4-2-3-5-10(15,9(13)14)7-8(11)12/h15H,2-7H2,1H3,(H,11,12)(H,13,14)", "name": "2-(5'-Methylthio)pentylmalic acid", "names": [ "2-(5'-Methylthio)pentylmalate", "2-(5'-Methylthio)pentylmalic acid" ] }, { "compound_id": "C17223", "inchi": "InChI=1S/C10H18O5S/c1-16-6-4-2-3-5-7(9(12)13)8(11)10(14)15/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)", "name": "3-(5'-Methylthio)pentylmalic acid", "names": [ "3-(5'-Methylthio)pentylmalate", "3-(5'-Methylthio)pentylmalic acid" ] }, { "compound_id": "C17224", "inchi": "InChI=1S/C9H16O3S/c1-13-7-5-3-2-4-6-8(10)9(11)12/h2-7H2,1H3,(H,11,12)", "name": "2-Oxo-8-methylthiooctanoic acid", "names": [ "2-Oxo-8-methylthiooctanoic acid", "8-Methylthio-2-octanoic acid" ] }, { "compound_id": "C17225", "inchi": "InChI=1S/C9H19NO2S/c1-13-7-5-3-2-4-6-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)", "name": "Tetrahomomethionine", "names": [ "Tetrahomomethionine" ] }, { "compound_id": "C17226", "inchi": "InChI=1S/C11H20O5S/c1-17-7-5-3-2-4-6-11(16,10(14)15)8-9(12)13/h16H,2-8H2,1H3,(H,12,13)(H,14,15)", "name": "2-(6'-Methylthio)hexylmalic acid", "names": [ "2-(6'-Methylthio)hexylmalate", "2-(6'-Methylthio)hexylmalic acid" ] }, { "compound_id": "C17227", "inchi": "InChI=1S/C11H20O5S/c1-17-7-5-3-2-4-6-8(10(13)14)9(12)11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)", "name": "3-(6'-Methylthio)hexylmalic acid", "names": [ "3-(6'-Methylthio)hexylmalate", "3-(6'-Methylthio)hexylmalic acid" ] }, { "compound_id": "C17228", "inchi": "InChI=1S/C10H18O3S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h2-8H2,1H3,(H,12,13)", "name": "2-Oxo-9-methylthiononanoic acid", "names": [ "2-Oxo-9-methylthiononanoic acid", "9-Methylthio-2-nonanoic acid" ] }, { "compound_id": "C17229", "inchi": "InChI=1S/C10H21NO2S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)", "name": "Pentahomomethionine", "names": [ "Pentahomomethionine" ] }, { "compound_id": "C17230", "inchi": "InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)", "name": "2-(7'-Methylthio)heptylmalic acid", "names": [ "2-(7'-Methylthio)heptylmalate", "2-(7'-Methylthio)heptylmalic acid" ] }, { "compound_id": "C17231", "inchi": "InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-9(11(14)15)10(13)12(16)17/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)", "name": "3-(7'-Methylthio)heptylmalic acid", "names": [ "3-(7'-Methylthio)heptylmalate", "3-(7'-Methylthio)heptylmalic acid" ] }, { "compound_id": "C17232", "inchi": "InChI=1S/C11H20O3S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h2-9H2,1H3,(H,13,14)", "name": "2-Oxo-10-methylthiodecanoic acid", "names": [ "10-Methylthio-2-decanoic acid", "2-Oxo-10-methylthiodecanoic acid" ] }, { "compound_id": "C17233", "inchi": "InChI=1S/C11H23NO2S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)", "name": "Hexahomomethionine", "names": [ "Hexahomomethionine" ] }, { "compound_id": "C17234", "inchi": "InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-", "name": "2-Aminobut-2-enoate", "names": [ "(2Z)-2-aminobut-2-enoic acid", "2-Aminobut-2-enoate", "2-Ammoniobut-2-enoate" ] }, { "compound_id": "C17235", "inchi": "InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1", "name": "L-Homophenylalanine", "names": [ "L-Homophenylalanine" ] }, { "compound_id": "C17236", "inchi": "InChI=1S/C9H11NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,11H,4,7H2/b10-8+", "name": "3-Phenylpropionaldoxim", "names": [ "3-Phenylpropionaldoxim" ] }, { "compound_id": "C17237", "inchi": "InChI=1S/C11H14N2O3S/c12-9(11(14)15)7-17-10(13-16)6-8-4-2-1-3-5-8/h1-5,9,16H,6-7,12H2,(H,14,15)/b13-10-/t9-/m0/s1", "name": "S-(Phenylacetothiohydroximoyl)-L-cysteine", "names": [ "S-(Phenylacetothiohydroximoyl)-L-cysteine" ] }, { "compound_id": "C17238", "inchi": "InChI=1S/C11H14N2O4S/c12-9(11(15)16)6-18-10(13-17)5-7-1-3-8(14)4-2-7/h1-4,9,14,17H,5-6,12H2,(H,15,16)/b13-10-/t9-/m0/s1", "name": "S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine", "names": [ "S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine" ] }, { "compound_id": "C17239", "inchi": "InChI=1S/C8H9NO2S/c10-7-3-1-6(2-4-7)5-8(12)9-11/h1-4,10-11H,5H2,(H,9,12)", "name": "p-Hydroxyphenylacetothiohydroximate", "names": [ "p-Hydroxyphenylacetothiohydroximate" ] }, { "compound_id": "C17240", "inchi": "InChI=1S/C14H19NO7S/c16-6-9-11(18)12(19)13(20)14(22-9)23-10(15-21)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-21H,5-6H2/b15-10-/t9-,11-,12+,13-,14+/m1/s1", "name": "p-Hydroxybenzyldesulphoglucosinolate", "names": [ "Desulfo-p-hydroxybenzylglucosinolate", "p-Hydroxybenzyldesulphoglucosinolate" ] }, { "compound_id": "C17241", "inchi": "InChI=1S/C5H11NOS/c1-8-5-3-2-4-6-7/h4,7H,2-3,5H2,1H3/b6-4+", "name": "4-Methylthiobutanaldoxime", "names": [ "4-Methylthiobutanaldoxime" ] }, { "compound_id": "C17242", "inchi": "InChI=1S/C8H16N2O3S2/c1-14-4-2-3-7(10-13)15-5-6(9)8(11)12/h6,13H,2-5,9H2,1H3,(H,11,12)/b10-7-/t6-/m0/s1", "name": "S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine", "names": [ "S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine" ] }, { "compound_id": "C17243", "inchi": "InChI=1S/C5H11NOS2/c1-9-4-2-3-5(8)6-7/h7H,2-4H2,1H3,(H,6,8)", "name": "4-Methylthiobutylthiohydroximate", "names": [ "4-Methylthiobutylthiohydroximate" ] }, { "compound_id": "C17244", "inchi": "InChI=1S/C11H21NO6S2/c1-19-4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)18-11/h6,8-11,13-17H,2-5H2,1H3/b12-7-/t6-,8-,9+,10-,11+/m1/s1", "name": "3-Methylthiopropyl-desulfoglucosinolate", "names": [ "3-Methylthiopropyl-desulfoglucosinolate" ] }, { "compound_id": "C17245", "inchi": "InChI=1S/C6H13NOS/c1-9-6-4-2-3-5-7-8/h5,8H,2-4,6H2,1H3/b7-5+", "name": "5-Methylthiopentanaldoxime", "names": [ "5-Methylthiopentanaldoxime" ] }, { "compound_id": "C17246", "inchi": "InChI=1S/C7H15NOS/c1-10-7-5-3-2-4-6-8-9/h6,9H,2-5,7H2,1H3/b8-6+", "name": "6-Methylthiohexanaldoxime", "names": [ "6-Methylthiohexanaldoxime" ] }, { "compound_id": "C17248", "inchi": "InChI=1S/C12H23NO6S2/c1-20-5-3-2-4-8(13-18)21-12-11(17)10(16)9(15)7(6-14)19-12/h7,9-12,14-18H,2-6H2,1H3/b13-8-/t7-,9-,10+,11-,12+/m1/s1", "name": "4-Methylthiobutyl-desulfoglucosinolate", "names": [ "4-Methylthiobutyl-desulfoglucosinolate" ] }, { "compound_id": "C17249", "inchi": "InChI=1S/C8H17NOS/c1-11-8-6-4-2-3-5-7-9-10/h7,10H,2-6,8H2,1H3/b9-7+", "name": "7-Methylthioheptanaldoxime", "names": [ "7-(Methylsulfanyl)heptanal oxime", "7-Methylthioheptanaldoxime" ] }, { "compound_id": "C17250", "inchi": "InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1", "name": "Glucolesquerellin", "names": [ "6-Methylthiohexyl glucosinolate", "Glucolesquerellin" ] }, { "compound_id": "C17251", "inchi": "InChI=1S/C9H19NOS/c1-12-9-7-5-3-2-4-6-8-10-11/h8,11H,2-7,9H2,1H3/b10-8+", "name": "8-Methylthiooctanaldoxime", "names": [ "8-Methylthiooctanaldoxime" ] }, { "compound_id": "C17252", "inchi": "InChI=1S/C15H29NO9S3/c1-26-8-6-4-2-3-5-7-11(16-25-28(21,22)23)27-15-14(20)13(19)12(18)10(9-17)24-15/h10,12-15,17-20H,2-9H2,1H3,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1", "name": "7-Methylthioheptyl glucosinolate", "names": [ "7-Methylthioheptyl glucosinolate" ] }, { "compound_id": "C17253", "inchi": "InChI=1S/C10H21NOS/c1-13-10-8-6-4-2-3-5-7-9-11-12/h9,12H,2-8,10H2,1H3/b11-9+", "name": "9-Methylthiononanaldoxime", "names": [ "9-Methylthiononanaldoxime" ] }, { "compound_id": "C17254", "inchi": "InChI=1S/C16H31NO9S3/c1-27-9-7-5-3-2-4-6-8-12(17-26-29(22,23)24)28-16-15(21)14(20)13(19)11(10-18)25-16/h11,13-16,18-21H,2-10H2,1H3,(H,22,23,24)/t11-,13-,14+,15-,16+/m1/s1", "name": "8-Methylthiooctyl glucosinolate", "names": [ "8-Methylthiooctyl glucosinolate" ] }, { "compound_id": "C17255", "inchi": "InChI=1S/C5H11NO/c1-5(2)3-4-6-7/h4-5,7H,3H2,1-2H3/b6-4+", "name": "3-Methylbutyraldehyde oxime", "names": [ "3-Methylbutyraldehyde oxime" ] }, { "compound_id": "C17256", "inchi": "InChI=1S/C11H21NO9S2/c1-5(2)3-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(4-13)20-11/h5-6,8-11,13-16H,3-4H2,1-2H3,(H,17,18,19)/t6-,8-,9+,10-,11+/m1/s1", "name": "2-Methylpropyl glucosinolate", "names": [ "2-Methylpropyl glucosinolate", "Isobutyl glucosinolate" ] }, { "compound_id": "C17257", "inchi": "InChI=1S/C12H23NO9S2/c1-3-6(2)4-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(5-14)21-12/h6-7,9-12,14-17H,3-5H2,1-2H3,(H,18,19,20)/t6?,7-,9-,10+,11-,12+/m1/s1", "name": "2-Methylbutyl glucosinolate", "names": [ "2-Methylbutyl glucosinolate" ] }, { "compound_id": "C17258", "inchi": "InChI=1S/2Ca.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);1H2/q2*+2;;;/p-4", "name": "Calcium sulfate hemihydrate", "names": [ "Calcium sulfate hemihydrate" ] }, { "compound_id": "C17259", "inchi": null, "name": "desulfo-Glucosinolate", "names": [ "Desulfoglucosinolate", "desulfo-Glucosinolate" ] }, { "compound_id": "C17260", "inchi": null, "name": "Glucosinolate", "names": [ "Glucosinolate" ] }, { "compound_id": "C17261", "inchi": null, "name": "Thiohydroximic acid", "names": [ "Thiohydroximate", "Thiohydroximic acid" ] }, { "compound_id": "C17262", "inchi": null, "name": "S-Alkyl-thiohydroximate", "names": [ "S-(2-Amino-2-carboxyethyl)-thiohydroximate", "S-Alkyl-thiohydroximate", "S-Thiohydroximoyl-L-cysteine" ] }, { "compound_id": "C17263", "inchi": null, "name": "2-Alkylmalic acid", "names": [ "2-Alkylmalic acid" ] }, { "compound_id": "C17264", "inchi": null, "name": "3-Alkylmalic acid", "names": [ "3-Alkylmalic acid" ] }, { "compound_id": "C17265", "inchi": null, "name": "Aliphatic oxo acid", "names": [ "2-Oxo acid with one additional methylene group", "Aliphatic oxo acid" ] }, { "compound_id": "C17266", "inchi": null, "name": "Homoamino acid", "names": [ "Homoamino acid" ] }, { "compound_id": "C17267", "inchi": "InChI=1S/C10H17N3O6S2/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1", "name": "S-Sulfanylglutathione", "names": [ "S-Sulfanylglutathione" ] }, { "compound_id": "C17268", "inchi": "InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3", "name": "Pyruvophenone", "names": [ "1-Phenyl-1,2-propanedione", "Pyruvophenone" ] }, { "compound_id": "C17271", "inchi": "InChI=1S/C16H31NO10S3/c1-29(22)9-7-5-3-2-4-6-8-12(17-27-30(23,24)25)28-16-15(21)14(20)13(19)11(10-18)26-16/h11,13-16,18-21H,2-10H2,1H3,(H,23,24,25)/t11-,13-,14+,15-,16+,29?/m1/s1", "name": "Glucohirsutin", "names": [ "8-Methylsulfinyloctyl glucosinolate", "Glucohirsutin" ] }, { "compound_id": "C17272", "inchi": "InChI=1S/C17H33NO10S3/c1-30(23)10-8-6-4-2-3-5-7-9-13(18-28-31(24,25)26)29-17-16(22)15(21)14(20)12(11-19)27-17/h12,14-17,19-22H,2-11H2,1H3,(H,24,25,26)/t12-,14-,15+,16-,17+,30?/m1/s1", "name": "Glucoarabin", "names": [ "9-Methylsulfinylnonyl glucosinolate", "Glucoarabin" ] }, { "compound_id": "C17273", "inchi": "InChI=1S/C15H21NO10S2/c1-24-9-4-2-8(3-5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1", "name": "Glucoaubrietin", "names": [ "4-Methoxybenzyl glucosinolate", "Glucoaubrietin" ] }, { "compound_id": "C17274", "inchi": "InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/t9?,10-,12-,13+,14-,15+/m1/s1", "name": "Glucobarbarin", "names": [ "2(R)-Hydroxy-2-phenylethyl glucosinolate", "Glucobarbarin" ] }, { "compound_id": "C17275", "inchi": "InChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)/t4?,5-,6-,7+,8-,10+/m1/s1", "name": "Glucosisymbrin", "names": [ "1-Methyl-2-hydroxyetyl glucosinolate", "Glucosisymbrin" ] }, { "compound_id": "C17276", "inchi": "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+", "name": "Retinol-(cellular-retinol-binding-protein)", "names": [ "Retinol-(cellular-retinol-binding-protein)" ] }, { "compound_id": "C17277", "inchi": "InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1", "name": "(+)-Valencene", "names": [ "(+)-Valencene" ] }, { "compound_id": "C17302", "inchi": "InChI=1S/C21H25ClO3/c1-4-24-20(23)19(22)14-16-10-12-18(13-11-16)25-15-21(2,3)17-8-6-5-7-9-17/h5-13,19H,4,14-15H2,1-3H3", "name": "AL-294", "names": [ "AL-294", "Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate" ] }, { "compound_id": "C17303", "inchi": "InChI=1S/C20H21NO3S/c1-20(2,15-6-4-3-5-7-15)13-24-16-10-8-14(9-11-16)12-17-18(22)21-19(23)25-17/h3-11,17H,12-13H2,1-2H3,(H,21,22,23)", "name": "AL-321", "names": [ "5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-2,4-dione", "AL-321" ] }, { "compound_id": "C17309", "inchi": "InChI=1S/C20H27N3O5/c24-18-15(8-4-12-22-13-5-9-17(20(27)28)23(18)22)21-16(19(25)26)11-10-14-6-2-1-3-7-14/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,25,26)(H,27,28)/t15-,16-,17-/m0/s1", "name": "Cilazaprilat", "names": [ "(1S,9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4,6,7,8,9,10-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid", "Cilazaprilat" ] }, { "compound_id": "C17322", "inchi": null, "name": "tRNA containing 2-thiouridine", "names": [ "tRNA containing 2-thiouridine", "tRNA containing s2U" ] }, { "compound_id": "C17323", "inchi": null, "name": "tRNA containing 5-carboxymethylaminomethyl-2-thiouridine", "names": [ "tRNA containing 5-carboxymethylaminomethyl-2-thiouridine", "tRNA containing cnm5s2U" ] }, { "compound_id": "C17324", "inchi": null, "name": "tRNA adenine", "names": [ "tRNA adenine" ] }, { "compound_id": "C17325", "inchi": null, "name": "tRNA cytosine", "names": [ "tRNA cytosine" ] }, { "compound_id": "C17326", "inchi": "InChI=1S/C15H23N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,8+,9+,11+,12+,13+,14+/m0/s1", "name": "CDP-4-dehydro-3,6-dideoxy-D-glucose epimer", "names": [ "CDP-4-dehydro-3,6-dideoxy-D-glucose epimer" ] }, { "compound_id": "C17327", "inchi": "InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8+,9+,11+,12+,13+,14+/m0/s1", "name": "CDP-ascarylose", "names": [ "CDP-ascarylose" ] }, { "compound_id": "C17328", "inchi": "InChI=1S/C15H22N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,9+,10+,11+,12+,13?,14+/m0/s1", "name": "UDP-4-keto-rhamnose", "names": [ "UDP-4-keto-rhamnose" ] }, { "compound_id": "C17331", "inchi": "InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1", "name": "7alpha,24-Dihydroxy-4-cholesten-3-one", "names": [ "7alpha,24-Dihydroxy-4-cholesten-3-one" ] }, { "compound_id": "C17332", "inchi": "InChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h15,17,20-24,29-30H,6-14,16H2,1-5H3/t17-,20-,21+,22+,23-,24+,26+,27-/m1/s1", "name": "7alpha,25-Dihydroxy-4-cholesten-3-one", "names": [ "7alpha,25-Dihydroxy-4-cholesten-3-one" ] }, { "compound_id": "C17333", "inchi": "InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1", "name": "3beta-Hydroxy-5-cholestenoate", "names": [ "3beta-Hydroxy-5-cholestenoate", "3beta-Hydroxycholest-5-en-27-oic acid" ] }, { "compound_id": "C17335", "inchi": "InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1", "name": "3beta,7alpha-Dihydroxy-5-cholestenoate", "names": [ "3beta,7alpha-Dihydroxy-5-cholesten-26-oic acid", "3beta,7alpha-Dihydroxy-5-cholestenoate" ] }, { "compound_id": "C17336", "inchi": "InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1", "name": "7alpha,26-Dihydroxy-4-cholesten-3-one", "names": [ "7alpha,26-Dihydroxy-4-cholesten-3-one" ] }, { "compound_id": "C17337", "inchi": "InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1", "name": "7alpha-Hydroxy-3-oxo-4-cholestenoate", "names": [ "7alpha-Hydroxy-3-oxo-4-cholestenoate" ] }, { "compound_id": "C17339", "inchi": "InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "4-Cholesten-7alpha,12alpha-diol-3-one", "names": [ "4-Cholesten-7alpha,12alpha-diol-3-one", "7alpha,12alpha-Dihydroxy-4-cholesten-3-one" ] }, { "compound_id": "C17343", "inchi": "InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40?,44-,47+,48-/m1/s1", "name": "(25S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA", "names": [ "(25S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA" ] }, { "compound_id": "C17345", "inchi": "InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26-,27-,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40?,44-,47+,48-/m1/s1", "name": "(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA", "names": [ "(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA" ] }, { "compound_id": "C17346", "inchi": "InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26-,27+,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40?,44-,47+,48-/m1/s1", "name": "(25S)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA", "names": [ "(25S)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA" ] }, { "compound_id": "C17349", "inchi": "InChI=1/CH5N3/c2-1(3)4/h(H5,2,3,4)/f/h2H,3-4H2", "name": "Guanidine", "names": [ "Guanidine" ] }, { "compound_id": "C17350", "inchi": "InChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/b26-18+/t16-,17+,19-/m1/s1", "name": "Nocardicin B", "names": [ "Nocardicin B" ] }, { "compound_id": "C17351", "inchi": "InChI=1S/C23H26N4O8/c24-16(22(31)32)9-10-35-15-7-3-12(4-8-15)18(25)20(29)26-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-19,28H,9-11,24-25H2,(H,26,29)(H,31,32)(H,33,34)/t16-,17+,18-,19-/m1/s1", "name": "Nocardicin C", "names": [ "Nocardicin C" ] }, { "compound_id": "C17352", "inchi": "InChI=1S/C23H26N4O8/c24-16(22(31)32)9-10-35-15-7-3-12(4-8-15)18(25)20(29)26-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-19,28H,9-11,24-25H2,(H,26,29)(H,31,32)(H,33,34)/t16-,17-,18+,19+/m0/s1", "name": "Isonocardicin C", "names": [ "Isonocardicin C" ] }, { "compound_id": "C17353", "inchi": "InChI=1S/C23H23N3O9/c24-16(22(31)32)9-10-35-15-7-3-13(4-8-15)19(28)20(29)25-17-11-26(21(17)30)18(23(33)34)12-1-5-14(27)6-2-12/h1-8,16-18,27H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/t16-,17+,18-/m1/s1", "name": "Nocardicin D", "names": [ "Nocardicin D" ] }, { "compound_id": "C17354", "inchi": "InChI=1S/C19H17N3O7/c23-12-5-1-10(2-6-12)15(21-29)17(25)20-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14,16,23-24,29H,9H2,(H,20,25)(H,27,28)/b21-15+/t14-,16+/m0/s1", "name": "Nocardicin F", "names": [ "Nocardicin F" ] }, { "compound_id": "C17355", "inchi": "InChI=1S/C19H19N3O6/c20-15(10-1-5-12(23)6-2-10)17(25)21-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14-16,23-24H,9,20H2,(H,21,25)(H,27,28)/t14-,15+,16+/m0/s1", "name": "Nocardicin G", "names": [ "Nocardicin G" ] }, { "compound_id": "C17356", "inchi": "InChI=1S/C7H9NO4/c9-4-11-3-5-2-8-6(10)1-7(8)12-5/h4-5,7H,1-3H2/t5-,7+/m1/s1", "name": "2-Formyloxymethylclavam", "names": [ "2-Formyloxymethylclavam" ] }, { "compound_id": "C17357", "inchi": "InChI=1S/C6H9NO3/c8-3-4-2-7-5(9)1-6(7)10-4/h4,6,8H,1-3H2/t4-,6+/m1/s1", "name": "2-Hydroxymethylclavam", "names": [ "2-Hydroxymethylclavam" ] }, { "compound_id": "C17358", "inchi": "InChI=1S/C6H7NO4/c8-4-1-5-7(4)2-3(11-5)6(9)10/h3,5H,1-2H2,(H,9,10)/t3-,5+/m1/s1", "name": "Clavam-2-carboxylate", "names": [ "Clavam-2-carboxylate" ] }, { "compound_id": "C17359", "inchi": "InChI=1S/C8H12N2O5/c9-6(8(13)14)7(12)3-2-10-4(11)1-5(10)15-3/h3,5-7,12H,1-2,9H2,(H,13,14)/t3-,5+,6+,7-/m1/s1", "name": "8-Hydroxyalanylclavam", "names": [ "8-Hydroxyalanylclavam" ] }, { "compound_id": "C17360", "inchi": "InChI=1S/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)/t4-,5-,7-/m0/s1", "name": "Alanylclavam", "names": [ "Alanylclavam" ] }, { "compound_id": "C17361", "inchi": "InChI=1S/C7H11NO3/c9-2-1-5-4-8-6(10)3-7(8)11-5/h5,7,9H,1-4H2/t5-,7-/m0/s1", "name": "2-Hydroxyethylclavam", "names": [ "2-Hydroxyethylclavam", "Hydroxyethylclavam" ] }, { "compound_id": "C17362", "inchi": "InChI=1S/C13H22N4O8/c14-2-4(18)10(20)9(13(23)24)16-12(22)8(15)11(21)5-3-17-6(19)1-7(17)25-5/h4-5,7-11,18,20-21H,1-3,14-15H2,(H,16,22)(H,23,24)/t4-,5-,7+,8-,9-,10?,11+/m1/s1", "name": "Clavamycin B", "names": [ "Clavamycin B" ] }, { "compound_id": "C17363", "inchi": "InChI=1S/C13H22N4O8/c14-2-4(18)10(20)8(15)12(22)16-9(13(23)24)11(21)5-3-17-6(19)1-7(17)25-5/h4-5,7-11,18,20-21H,1-3,14-15H2,(H,16,22)(H,23,24)/t4?,5-,7+,8+,9+,10?,11+/m1/s1", "name": "Clavamycin C", "names": [ "Clavamycin C" ] }, { "compound_id": "C17364", "inchi": "InChI=1S/C13H21N3O6/c1-5(2)9(14)12(19)15-10(13(20)21)11(18)6-4-16-7(17)3-8(16)22-6/h5-6,8-11,18H,3-4,14H2,1-2H3,(H,15,19)(H,20,21)/t6-,8+,9+,10+,11+/m1/s1", "name": "Clavamycin D", "names": [ "Clavamycin D" ] }, { "compound_id": "C17365", "inchi": "InChI=1S/C11H17N3O6/c1-4(12)10(17)13-8(11(18)19)9(16)5-3-14-6(15)2-7(14)20-5/h4-5,7-9,16H,2-3,12H2,1H3,(H,13,17)(H,18,19)/t4-,5+,7-,8-,9-/m0/s1", "name": "Clavamycin E", "names": [ "Clavamycin E" ] }, { "compound_id": "C17366", "inchi": "InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1", "name": "(2S,5S)-trans-Carboxymethylproline", "names": [ "(2S,5S)-trans-Carboxymethylproline" ] }, { "compound_id": "C17367", "inchi": "InChI=1S/C7H9NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1", "name": "(3S,5S)-Carbapenam-3-carboxylic acid", "names": [ "(3S,5S)-Carbapenam-3-carboxylate", "(3S,5S)-Carbapenam-3-carboxylic acid" ] }, { "compound_id": "C17368", "inchi": "InChI=1S/C11H16N2O3S/c1-2-6-7-5-8(17-4-3-12)9(11(15)16)13(7)10(6)14/h6-7H,2-5,12H2,1H3,(H,15,16)/t6-,7-/m1/s1", "name": "NS-5", "names": [ "8-Dehydroxythienamycin", "8-Deshydroxythienamycin", "Deshydroxythienamycin", "NS-5" ] }, { "compound_id": "C17369", "inchi": "InChI=1S/C10H14N2O4S/c11-1-2-17-7-3-6-5(4-13)9(14)12(6)8(7)10(15)16/h5-6,13H,1-4,11H2,(H,15,16)/t5-,6-/m1/s1", "name": "Northienamycin", "names": [ "Northienamycin" ] }, { "compound_id": "C17370", "inchi": "InChI=1S/C13H18N2O4S/c1-3-8-9-6-10(20-5-4-14-7(2)16)11(13(18)19)15(9)12(8)17/h8-9H,3-6H2,1-2H3,(H,14,16)(H,18,19)/t8-,9-/m1/s1", "name": "PS-5", "names": [ "Antibiotic PS 5", "PS-5" ] }, { "compound_id": "C17371", "inchi": "InChI=1S/C14H20N2O4S/c1-7(2)11-9-6-10(21-5-4-15-8(3)17)12(14(19)20)16(9)13(11)18/h7,9,11H,4-6H2,1-3H3,(H,15,17)(H,19,20)/t9-,11-/m1/s1", "name": "PS-6", "names": [ "Antibiotic PS 6", "PS-6" ] }, { "compound_id": "C17372", "inchi": "InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8+,10-/m0/s1", "name": "Epithienamycin A", "names": [ "Epithienamycin A" ] }, { "compound_id": "C17373", "inchi": "InChI=1S/C20H31N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-11,14,16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10-,11+,14-,16-/m0/s1", "name": "OA-6129 B1", "names": [ "OA-6129 B1" ] }, { "compound_id": "C17374", "inchi": "InChI=1S/C20H31N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-11,14,16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10-,11+,14+,16-/m0/s1", "name": "OA-6129 B2", "names": [ "OA-6129 B2" ] }, { "compound_id": "C17375", "inchi": "InChI=1S/C20H33N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-12,14-16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10?,11-,12+,14+,15-,16+/m1/s1", "name": "OA-6129 D", "names": [ "OA-6129 D" ] }, { "compound_id": "C17376", "inchi": "InChI=1S/C21H35N3O8S/c1-20(2,10-25)16(27)17(28)23-6-5-13(26)22-7-8-33-12-9-11-14(21(3,4)32)18(29)24(11)15(12)19(30)31/h11-12,14-16,25,27,32H,5-10H2,1-4H3,(H,22,26)(H,23,28)(H,30,31)/t11-,12+,14+,15-,16+/m1/s1", "name": "OA-6129 E", "names": [ "OA-6129 E" ] }, { "compound_id": "C17377", "inchi": "InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8-,10-/m1/s1", "name": "N-Acetylthienamycin", "names": [ "N-Acetylthienamycin" ] }, { "compound_id": "C17378", "inchi": null, "name": "O-Acylpseudotropine", "names": [ "O-Acylpseudotropine" ] }, { "compound_id": "C17379", "inchi": "InChI=1S/O.Pb/q-2;+2", "name": "Lead oxide", "names": [ "Lead oxide" ] }, { "compound_id": "C17380", "inchi": "InChI=1S/C18H19N3O2/c1-12-7-5-6-8-17(12)20-19-16-9-10-18(13(2)11-16)21(14(3)22)15(4)23/h5-11H,1-4H3/b20-19+", "name": "Diacetylaminoazotoluene", "names": [ "Diacetylaminoazotoluene", "Pellidole", "Periphermine" ] }, { "compound_id": "C17381", "inchi": null, "name": "Dihydroxyaluminum", "names": [ "Dihydroxyaluminum" ] }, { "compound_id": "C17382", "inchi": "InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2", "name": "Ferrous lactate", "names": [ "Ferrous lactate" ] }, { "compound_id": "C17383", "inchi": "InChI=1S/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2", "name": "Cobaltous sulfate", "names": [ "Cobaltous sulfate" ] }, { "compound_id": "C17384", "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3", "name": "Citronellal", "names": [ "Citronellal" ] }, { "compound_id": "C17385", "inchi": "InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3", "name": "2-Methoxy-5-nitrophenol", "names": [ "2-Methoxy-5-nitrophenol", "5-Nitroguaiacol" ] }, { "compound_id": "C17386", "inchi": "InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3", "name": "2-Methoxy-4-nitrophenol", "names": [ "2-Methoxy-4-nitrophenol", "4-Nitroguaiacol" ] }, { "compound_id": "C17387", "inchi": "InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1", "name": "Cycleanine", "names": [ "Cycleanine" ] }, { "compound_id": "C17388", "inchi": "InChI=1S/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2/t2*2-,3+,4+,5-;/m11./s1", "name": "L-Galacturonic acid calcium salt", "names": [ "L-Galacturonic acid calcium salt" ] }, { "compound_id": "C17389", "inchi": "InChI=1S/2C3H6O3.Zn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2", "name": "Zinc lactate", "names": [ "Zinc lactate" ] }, { "compound_id": "C17390", "inchi": null, "name": "Polybutene", "names": [ "Polybutene" ] }, { "compound_id": "C17391", "inchi": "InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1", "name": "Sakuranin", "names": [ "NSC 407308", "Sakuranin" ] }, { "compound_id": "C17392", "inchi": "InChI=1S/Ca.S/q+2;-2", "name": "Calcium sulfide", "names": [ "Calcium sulfide" ] }, { "compound_id": "C17393", "inchi": "InChI=1S/C29H36O15/c1-11-22(32)24(34)26(36)28(41-11)40-10-20-23(33)25(35)27(37)29(44-20)42-13-7-14(30)21-15(31)9-17(43-19(21)8-13)12-4-5-16(38-2)18(6-12)39-3/h4-8,11,17,20,22-30,32-37H,9-10H2,1-3H3/t11-,17-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1", "name": "Methyl hesperidin", "names": [ "Methyl hesperidin" ] }, { "compound_id": "C17394", "inchi": "InChI=1S/C30H48O2/c1-25(2)22-9-8-21-20(28(22,5)12-11-24(25)32)10-13-30(7)23-18-26(3,19-31)14-15-27(23,4)16-17-29(21,30)6/h8,10,22-24,31-32H,9,11-19H2,1-7H3/t22-,23+,24+,26+,27+,28+,29+,30-/m0/s1", "name": "Karounidiol", "names": [ "Karounidiol" ] }, { "compound_id": "C17395", "inchi": "InChI=1S/C15H24N4O7/c1-7(20)17-4-2-3-8(16)14(23)18-12(15(24)25)13(22)9-6-19-10(21)5-11(19)26-9/h8-9,11-13,22H,2-6,16H2,1H3,(H,17,20)(H,18,23)(H,24,25)/t8-,9+,11-,12-,13-/m0/s1", "name": "Clavamycin F", "names": [ "Clavamycin F" ] }, { "compound_id": "C17396", "inchi": "InChI=1S/C13H16N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h3-4,6,8,10,16H,5H2,1-2H3,(H,14,17)(H,19,20)/b4-3+/t6-,8+,10-/m0/s1", "name": "Epithienamycin B", "names": [ "Epithienamycin B" ] }, { "compound_id": "C17397", "inchi": "InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8+,10+/m0/s1", "name": "Epithienamycin C", "names": [ "Epithienamycin C" ] }, { "compound_id": "C17398", "inchi": "InChI=1S/C13H16N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h3-4,6,8,10,16H,5H2,1-2H3,(H,14,17)(H,19,20)/b4-3+/t6-,8+,10+/m0/s1", "name": "Epithienamycin D", "names": [ "Epithienamycin D" ] }, { "compound_id": "C17399", "inchi": "InChI=1S/C13H18N2O8S2/c1-6(23-25(20,21)22)10-8-5-9(24-4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h6,8,10H,3-5H2,1-2H3,(H,14,16)(H,18,19)(H,20,21,22)/t6-,8+,10-/m0/s1", "name": "Epithienamycin F", "names": [ "Epithienamycin F" ] }, { "compound_id": "C17400", "inchi": "InChI=1S/C14H16N2O6S/c1-7(6-17)11-9-5-10(23(22)4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h3-4,9,17H,5-6H2,1-2H3,(H,15,18)(H,20,21)/b4-3+,11-7+/t9-,23?/m1/s1", "name": "Asparenomycin A", "names": [ "Asparenomycin A" ] }, { "compound_id": "C17401", "inchi": "InChI=1S/C43H48N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h14-16,24-25H,4-13,17-18H2,1-3H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/t24-,25-,42+,43+;/m1./s1", "name": "Cobalt-factor III", "names": [ "Cobalt-factor III" ] }, { "compound_id": "C17402", "inchi": "InChI=1S/C14H20N2O4S/c1-4-5-6-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)21-12(9)16/h5-6,9-10,12H,4,7H2,1-3H3,(H,15,17)(H,19,20)/b6-5+/t9-,10+,12-/m1/s1", "name": "Penicillin F", "names": [ "2-Pentenylpenicillin", "Penicillin F" ] }, { "compound_id": "C17403", "inchi": "InChI=1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1", "name": "Penicillin K", "names": [ "Penicillin A", "Penicillin K" ] }, { "compound_id": "C17404", "inchi": "InChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1", "name": "Penicillin X", "names": [ "Penicillin X" ] }, { "compound_id": "C17405", "inchi": "InChI=1S/C13H18N2O4S2/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19)/t8-,9+,11-/m1/s1", "name": "Penicillin O", "names": [ "Penicillin O" ] }, { "compound_id": "C17409", "inchi": "InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1", "name": "Chinese gallotannin", "names": [ "Chinese gallotannin" ] }, { "compound_id": "C17410", "inchi": "InChI=1S/C57H92O28/c1-23-40(81-45-39(72)41(28(64)18-76-45)82-49-43(73)56(75,21-61)22-78-49)36(69)38(71)46(79-23)83-42-33(66)27(63)17-77-48(42)85-50(74)57-12-11-51(2,3)13-25(57)24-7-8-30-52(4)14-26(62)44(84-47-37(70)35(68)34(67)29(16-58)80-47)55(19-59,20-60)31(52)9-10-53(30,5)54(24,6)15-32(57)65/h7,23,25-49,58-73,75H,8-22H2,1-6H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40-,41?,42?,43-,44-,45-,46?,47-,48-,49?,52+,53+,54+,56+,57+/m0/s1", "name": "Platycodin D", "names": [ "Platycodin D" ] }, { "compound_id": "C17411", "inchi": "InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3/t18-,21-,25-/m0/s1", "name": "o-Methylpsychotrine", "names": [ "1',2'-Dehydroemetin", "o-Methylpsychotrine" ] }, { "compound_id": "C17412", "inchi": "InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1", "name": "Shikonin", "names": [ "Shikonin" ] }, { "compound_id": "C17413", "inchi": "InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3", "name": "Acetylshikonin", "names": [ "Acetylshikonin" ] }, { "compound_id": "C17414", "inchi": "InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m1/s1", "name": "Isobutylshikonin", "names": [ "Isobutylshikonin", "Isobutyrylshikonin" ] }, { "compound_id": "C17415", "inchi": "InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1", "name": "beta,beta-Dimethylacrylshikonin", "names": [ "Dmask", "beta,beta-Dimethylacrylshikonin" ] }, { "compound_id": "C17416", "inchi": "InChI=1S/C17H16O5/c1-19-13-6-5-10-12-8-21-14-7-9(18)3-4-11(14)15(12)22-16(10)17(13)20-2/h3-7,12,15,18H,8H2,1-2H3/t12-,15-/m0/s1", "name": "Astrapterocarpan", "names": [ "Astrapterocarpan" ] }, { "compound_id": "C17417", "inchi": "InChI=1S/C75H112O36/c1-31-53(105-44(82)14-11-33-21-39(96-8)56(98-10)40(22-33)97-9)50(88)58(109-64-52(90)57(108-66-59(91)75(95,29-78)30-101-66)54(32(2)102-64)106-62-51(89)55(38(81)27-100-62)107-61-48(86)45(83)37(80)26-99-61)65(103-31)111-68(94)73-18-17-69(3,4)23-35(73)34-12-13-42-70(5)24-36(79)60(110-63-49(87)47(85)46(84)41(25-76)104-63)72(7,67(92)93)43(70)15-16-71(42,6)74(34,28-77)20-19-73/h11-12,14,21-22,31-32,35-38,41-43,45-55,57-66,76-81,83-91,95H,13,15-20,23-30H2,1-10H3,(H,92,93)/b14-11+/t31-,32+,35+,36+,37+,38-,41-,42-,43-,45+,46-,47+,48-,49-,50+,51-,52-,53+,54?,55?,57+,58-,59+,60+,61?,62?,63+,64+,65+,66+,70-,71-,72+,73+,74+,75-/m1/s1", "name": "Onjisaponin F", "names": [ "Onjisaponin F", "Polygalasaponin XXXI" ] }, { "compound_id": "C17418", "inchi": "InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12?,13?,14-,15-/m1/s1", "name": "Genisteine", "names": [ "Genisteine", "Genisteine-alkaloid", "alpha-Isosparteine" ] }, { "compound_id": "C17419", "inchi": "InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1", "name": "Soyasapogenol A", "names": [ "Soyasapogenol A" ] }, { "compound_id": "C17420", "inchi": "InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1", "name": "Soyasapogenol E", "names": [ "Soyasapogenol E" ] }, { "compound_id": "C17421", "inchi": "InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h21-24,31-33H,8-18H2,1-7H3/t21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1", "name": "Soyasapogenol F", "names": [ "Soyasapogenol B1", "Soyasapogenol F" ] }, { "compound_id": "C17422", "inchi": "InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1", "name": "Soyasapogenol C", "names": [ "Sapogenol C", "Soyasapogenol C" ] }, { "compound_id": "C17423", "inchi": "InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1", "name": "Soyasapogenol D", "names": [ "Soyasapogenol D" ] }, { "compound_id": "C17424", "inchi": "InChI=1S/C15H16O2/c1-7-6-17-11-5-15(3)10-4-9(10)8(2)13(15)14(16)12(7)11/h6,9-10H,4-5H2,1-3H3/t9-,10-,15+/m1/s1", "name": "Lindenenone", "names": [ "Lindenenone" ] }, { "compound_id": "C17425", "inchi": "InChI=1S/C15H16O3/c1-9-4-3-5-11-7-13(18-15(11)16)14-10(2)8-17-12(14)6-9/h4,7-8,13H,3,5-6H2,1-2H3/b9-4-/t13-/m1/s1", "name": "Linderalactone", "names": [ "Linderalactone" ] }, { "compound_id": "C17426", "inchi": "InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1", "name": "Dicentrine", "names": [ "Dicentrine" ] }, { "compound_id": "C17427", "inchi": "InChI=1S/C15H26O2/c1-11(2)12-6-8-15(10-16)7-4-5-13(17)14(15,3)9-12/h11-12,16H,4-10H2,1-3H3/t12-,14+,15+/m1/s1", "name": "Kanokonol", "names": [ "Kanokonol" ] }, { "compound_id": "C17428", "inchi": "InChI=1S/C21H32O12/c1-8(2)3-11(24)32-19-13-12(17-18(33-17)21(13,28)7-23)9(5-29-19)6-30-20-16(27)15(26)14(25)10(4-22)31-20/h5,8,10,12-20,22-23,25-28H,3-4,6-7H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18+,19+,20-,21-/m1/s1", "name": "Kanokoside A", "names": [ "Kanokoside A" ] }, { "compound_id": "C17429", "inchi": "InChI=1S/C21H34O12/c1-9(2)3-14(25)33-19-15-11(4-13(24)21(15,29)8-23)10(6-30-19)7-31-20-18(28)17(27)16(26)12(5-22)32-20/h6,9,11-13,15-20,22-24,26-29H,3-5,7-8H2,1-2H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1", "name": "Kanokoside B", "names": [ "Kanokoside B", "Suspensolide F" ] }, { "compound_id": "C17430", "inchi": "InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3/t11-,12-,14-,15-,16-,17-,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1", "name": "Kanokoside C", "names": [ "Kanokoside C" ] }, { "compound_id": "C17431", "inchi": "InChI=1S/C27H44O16/c1-10(2)3-17(31)43-25-18-12(4-14(30)13(18)5-28)11(7-38-25)8-39-26-24(37)22(35)20(33)16(42-26)9-40-27-23(36)21(34)19(32)15(6-29)41-27/h7,10,12-16,18-30,32-37H,3-6,8-9H2,1-2H3/t12-,13-,14+,15-,16-,18+,19-,20-,21+,22+,23-,24-,25+,26-,27-/m1/s1", "name": "Kanokoside D", "names": [ "Kanokoside D" ] }, { "compound_id": "C17432", "inchi": "InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-37+,50-39+", "name": "all-trans-Decaprenyl diphosphate", "names": [ "all-trans-Decaprenyl diphosphate" ] }, { "compound_id": "C17433", "inchi": "InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3", "name": "Tricosane", "names": [ "Tricosane" ] }, { "compound_id": "C17434", "inchi": "InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/b26-15+,27-17+,28-19-,29-21-,30-23-", "name": "di-trans,poly-cis-Hexaprenyl diphosphate", "names": [ "di-trans,poly-cis-Hexaprenyl diphosphate", "ditrans,tricis-Hexaprenyl diphosphate" ] }, { "compound_id": "C17435", "inchi": "InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17-,25-19-", "name": "di-trans,poly-cis-Pentaprenyl diphosphate", "names": [ "2-cis,6-cis,10-trans,14-trans-Geranylfarnesyl diphosphate", "2-cis,6-cis,10-trans,14-trans-Pentaprenyl diphosphate", "di-trans,poly-cis-Pentaprenyl diphosphate", "ditrans,dicis-Pentaprenyl diphosphate" ] }, { "compound_id": "C17436", "inchi": "InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)/b30-17+,31-19+,32-21-,33-23-,34-25-,35-27-", "name": "di-trans,poly-cis-Heptaprenyl diphosphate", "names": [ "di-trans,poly-cis-Heptaprenyl diphosphate", "ditrans,tetracis-Heptaprenyl diphosphate" ] }, { "compound_id": "C17437", "inchi": "InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23-,37-25-,38-27-,39-29-,40-31-", "name": "di-trans,poly-cis-Octaprenyl diphosphate", "names": [ "di-trans,poly-cis-Octaprenyl diphosphate", "ditrans,pentacis-Octaprenyl diphosphate" ] }, { "compound_id": "C17438", "inchi": "InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25-,41-27-,42-29-,43-31-,44-33-,45-35-", "name": "di-trans,poly-cis-Nonaprenyl diphosphate", "names": [ "di-trans,poly-cis-Nonaprenyl diphosphate", "ditrans,hexacis-Nonaprenyl diphosphate" ] }, { "compound_id": "C17439", "inchi": "InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,15,19H,6-8,10,12-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,20-15+", "name": "Dihydrogeranylgeranyl diphosphate", "names": [ "Dihydrogeranylgeranyl diphosphate" ] }, { "compound_id": "C17440", "inchi": "InChI=1S/C20H40O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,15,18-19H,6-8,10-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+", "name": "Tetrahydrogeranylgeranyl diphosphate", "names": [ "Tetrahydrogeranylgeranyl diphosphate" ] }, { "compound_id": "C17441", "inchi": "InChI=1S/C57H92O27/c1-23-40(80-45-39(71)41(28(63)19-75-45)81-49-43(72)56(74,21-60)22-77-49)36(68)38(70)46(78-23)82-42-33(65)27(62)18-76-48(42)84-50(73)57-13-12-51(2,3)14-25(57)24-8-9-31-52(4)15-26(61)44(83-47-37(69)35(67)34(66)29(17-58)79-47)53(5,20-59)30(52)10-11-54(31,6)55(24,7)16-32(57)64/h8,23,25-49,58-72,74H,9-22H2,1-7H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40-,41?,42?,43-,44-,45-,46?,47-,48-,49?,52-,53+,54+,55+,56+,57+/m0/s1", "name": "Polygalacin D", "names": [ "Polygalacin D" ] }, { "compound_id": "C17442", "inchi": "InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13-,15-/m1/s1", "name": "Isomatrine", "names": [ "Isomatrine" ] }, { "compound_id": "C17443", "inchi": "InChI=1S/C59H94O29/c1-24-41(84-47-40(74)42(30(67)19-78-47)85-51-45(75)58(77,22-63)23-80-51)39(73)44(82-25(2)64)50(81-24)86-43-35(69)29(66)18-79-49(43)88-52(76)59-13-12-53(3,4)14-27(59)26-8-9-32-54(5)15-28(65)46(87-48-38(72)37(71)36(70)31(17-60)83-48)57(20-61,21-62)33(54)10-11-55(32,6)56(26,7)16-34(59)68/h8,24,27-51,60-63,65-75,77H,9-23H2,1-7H3/t24-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42?,43?,44+,45-,46-,47-,48-,49-,50?,51?,54+,55+,56+,58+,59+/m0/s1", "name": "Platycodin A", "names": [ "Platycodin A" ] }, { "compound_id": "C17444", "inchi": "InChI=1S/C26H32O7/c1-14(2)15(8-9-26(3,4)31)10-18-20(29)12-23(32-5)24-21(30)13-22(33-25(18)24)17-7-6-16(27)11-19(17)28/h6-7,11-12,15,22,27-29,31H,1,8-10,13H2,2-5H3/t15-,22+/m1/s1", "name": "Kurarinol", "names": [ "Kurarinol" ] }, { "compound_id": "C17445", "inchi": "InChI=1S/C26H32O7/c1-15(2)17(10-11-26(3,4)32)12-19-22(30)14-23(33-5)24(25(19)31)20(28)9-7-16-6-8-18(27)13-21(16)29/h6-9,13-14,17,27,29-32H,1,10-12H2,2-5H3/b9-7+", "name": "Kuraridinol", "names": [ "Kuraridinol" ] }, { "compound_id": "C17446", "inchi": "InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16-,23+/m1/s1", "name": "Kurarinone", "names": [ "Kurarinone" ] }, { "compound_id": "C17447", "inchi": "InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m0/s1", "name": "(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol", "names": [ "(+)-Falcarinol", "(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol" ] }, { "compound_id": "C17449", "inchi": "InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20?,21?/m0/s1", "name": "Astilbin", "names": [ "Astilbin" ] }, { "compound_id": "C17450", "inchi": "InChI=1S/C19H34O8/c1-11(21)6-9-19(25)17(2,3)7-5-8-18(19,4)27-16-15(24)14(23)13(22)12(10-20)26-16/h6,9,11-16,20-25H,5,7-8,10H2,1-4H3/b9-6+/t11-,12+,13+,14-,15+,16-,18+,19+/m0/s1", "name": "Rehmaionoside A", "names": [ "Rehmaionoside A" ] }, { "compound_id": "C17451", "inchi": "InChI=1S/C19H34O8/c1-11(21)6-9-19(25)17(2,3)7-5-8-18(19,4)27-16-15(24)14(23)13(22)12(10-20)26-16/h6,9,11-16,20-25H,5,7-8,10H2,1-4H3/b9-6+/t11-,12-,13-,14+,15-,16+,18-,19-/m1/s1", "name": "Rehmaionoside B", "names": [ "Rehmaionoside B" ] }, { "compound_id": "C17452", "inchi": "InChI=1S/C19H32O8/c1-11(21)6-9-19(25)17(2,3)7-5-8-18(19,4)27-16-15(24)14(23)13(22)12(10-20)26-16/h6,9,12-16,20,22-25H,5,7-8,10H2,1-4H3/b9-6+/t12-,13-,14+,15-,16+,18-,19-/m1/s1", "name": "Rehmaionoside C", "names": [ "Rehmaionoside C" ] }, { "compound_id": "C17454", "inchi": "InChI=1S/C10H14O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-7,13H,3-4H2,1-2H3/t5-,6-,7-,10+/m1/s1", "name": "Paeonilactone A", "names": [ "Paeonilactone A" ] }, { "compound_id": "C17455", "inchi": "InChI=1S/C10H12O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h6-7,13H,1,3-4H2,2H3/t6-,7-,10+/m1/s1", "name": "Paeonilactone B", "names": [ "Paeonilactone B" ] }, { "compound_id": "C17456", "inchi": "InChI=1S/C17H18O6/c1-17(21)8-13-11(7-14(17)18)12(16(20)23-13)9-22-15(19)10-5-3-2-4-6-10/h2-6,11-13,21H,7-9H2,1H3/t11-,12-,13-,17+/m1/s1", "name": "Paeonilactone C", "names": [ "Paeonilactone C" ] }, { "compound_id": "C17458", "inchi": "InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1", "name": "Gallotannin", "names": [ "1,3,6-Tri-o-galloyl-beta-D-glucose", "Gallotannin" ] }, { "compound_id": "C17459", "inchi": "InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20-,21-,22-,24-,25+,28-,29-,30-/m0/s1", "name": "Alisol A", "names": [ "Alisol A" ] }, { "compound_id": "C17460", "inchi": "InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1", "name": "Alisol B", "names": [ "Alisol B" ] }, { "compound_id": "C17461", "inchi": "InChI=1S/C30H46O5/c1-16(13-19(32)25-27(4,5)35-25)23-17-14-18(31)24-28(6)11-10-22(34)26(2,3)21(28)9-12-29(24,7)30(17,8)15-20(23)33/h16,18-19,21,24-25,31-32H,9-15H2,1-8H3/t16-,18-,19-,21-,24-,25+,28-,29-,30-/m0/s1", "name": "Alisol C", "names": [ "Alisol C" ] }, { "compound_id": "C17462", "inchi": "InChI=1S/C15H24O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h9-10,13-14,16H,3,5-8H2,1-2,4H3/t13-,14?,15-/m1/s1", "name": "Alismol", "names": [ "Alismol" ] }, { "compound_id": "C17463", "inchi": "InChI=1S/C15H23NO2/c1-11-3-5-14-12(2)4-6-15(16(14,17)9-11)13-7-8-18-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12+,14-,15-,16+/m0/s1", "name": "Nupharidine", "names": [ "Nupharidine" ] }, { "compound_id": "C17464", "inchi": "InChI=1S/C15H25NO2/c1-11-4-5-14(12-7-9-18-10-12)16-13(11)6-8-15(2,3)17/h7,9-11,13-14,16-17H,4-6,8H2,1-3H3/t11-,13+,14+/m1/s1", "name": "Nupharamine", "names": [ "Nupharamine" ] }, { "compound_id": "C17465", "inchi": "InChI=1S/C32H40O19/c33-11-19-23(38)25(40)27(42)29(50-19)48-17-5-1-15(2-6-17)13-46-22(37)10-32(45,9-21(35)36)31(44)47-14-16-3-7-18(8-4-16)49-30-28(43)26(41)24(39)20(12-34)51-30/h1-8,19-20,23-30,33-34,38-43,45H,9-14H2,(H,35,36)/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30-,32?/m1/s1", "name": "Parishin B", "names": [ "Parishin B" ] }, { "compound_id": "C17466", "inchi": "InChI=1S/C32H40O19/c33-11-19-23(37)25(39)27(41)29(50-19)48-17-5-1-15(2-6-17)13-46-21(35)9-32(45,31(43)44)10-22(36)47-14-16-3-7-18(8-4-16)49-30-28(42)26(40)24(38)20(12-34)51-30/h1-8,19-20,23-30,33-34,37-42,45H,9-14H2,(H,43,44)/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+,32?/m1/s1", "name": "Parishin C", "names": [ "Parishin C" ] }, { "compound_id": "C17467", "inchi": "InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2", "name": "p-Hydroxybenzyl alcohol", "names": [ "4-Hydroxybenzyl alcohol", "p-Hydroxybenzyl alcohol", "p-Methylolphenol" ] }, { "compound_id": "C17468", "inchi": "InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44?,45-,46-,47?,48+,49-,50+,51+,52-/m1/s1", "name": "Methylprotodioscin", "names": [ "Methylprotodioscin" ] }, { "compound_id": "C17469", "inchi": "InChI=1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,30-49,52-63H,7,9-19H2,1-6H3/t20-,22+,23+,25+,26-,27+,28+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44?,45-,46-,47?,48+,49-,50+,51+/m1/s1", "name": "Pseudoprotodioscin", "names": [ "Pseudoprotodioscin" ] }, { "compound_id": "C17470", "inchi": "InChI=1S/C45H74O18/c1-19(18-57-40-36(53)34(51)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-38(55)35(52)39(29(17-47)61-42)62-41-37(54)33(50)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39?,40+,41?,42+,43-,44-,45+/m0/s1", "name": "Asparasaponin II", "names": [ "Asparasaponin II" ] }, { "compound_id": "C17471", "inchi": "InChI=1S/C18H14O6/c1-9-12(19)6-15-16(17(9)20)18(21)11(7-22-15)4-10-2-3-13-14(5-10)24-8-23-13/h2-3,5-7,19-20H,4,8H2,1H3", "name": "Ophiopogonone A", "names": [ "Ophiopogonone A" ] }, { "compound_id": "C17472", "inchi": "InChI=1S/C18H16O5/c1-10-14(19)8-15-16(17(10)20)18(21)12(9-23-15)7-11-3-5-13(22-2)6-4-11/h3-6,8-9,19-20H,7H2,1-2H3", "name": "Ophiopogonone B", "names": [ "Ophiopogonone B" ] }, { "compound_id": "C17473", "inchi": "InChI=1S/C19H16O6/c1-9-16(20)10(2)19-15(17(9)21)18(22)12(7-23-19)5-11-3-4-13-14(6-11)25-8-24-13/h3-4,6-7,20-21H,5,8H2,1-2H3", "name": "Methylophiopogonone A", "names": [ "Methylophiopogonone A" ] }, { "compound_id": "C17474", "inchi": "InChI=1S/C19H18O5/c1-10-16(20)11(2)19-15(17(10)21)18(22)13(9-24-19)8-12-4-6-14(23-3)7-5-12/h4-7,9,20-21H,8H2,1-3H3", "name": "Methylophiopogonone B", "names": [ "Methylophiopogonone B" ] }, { "compound_id": "C17475", "inchi": "InChI=1S/C18H16O6/c1-9-12(19)6-15-16(17(9)20)18(21)11(7-22-15)4-10-2-3-13-14(5-10)24-8-23-13/h2-3,5-6,11,19-20H,4,7-8H2,1H3", "name": "Ophiopogonanone A", "names": [ "Ophiopogonanone A" ] }, { "compound_id": "C17476", "inchi": "InChI=1S/C26H34O13/c1-11(2)3-6-13-14(7-4-12-5-8-17(28)39-24(12)13)36-26-23(34)21(32)19(30)16(38-26)10-35-25-22(33)20(31)18(29)15(9-27)37-25/h3-5,7-8,15-16,18-23,25-27,29-34H,6,9-10H2,1-2H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-/m1/s1", "name": "Osthenol-7-O-beta-D-gentiobioside", "names": [ "Osthenol-7-O-beta-D-gentiobioside" ] }, { "compound_id": "C17477", "inchi": "InChI=1S/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2/t2*2-,3+,4+,5-;/m00./s1", "name": "D-Galacturonic acid calcium salt", "names": [ "D-Galacturonic acid calcium salt" ] }, { "compound_id": "C17478", "inchi": "InChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2", "name": "Calcium oxalate", "names": [ "Calcium oxalate" ] }, { "compound_id": "C17479", "inchi": "InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3", "name": "Fraxidin", "names": [ "8-Hydroxy-6,7-dimethoxy-2H-1-benzopyran-2-one", "Fraxidin" ] }, { "compound_id": "C17480", "inchi": "InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3", "name": "Isofraxidin", "names": [ "7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one", "Isofraxidin" ] }, { "compound_id": "C17482", "inchi": "InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)16-9-13-8-12-6-7-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/b11-5+/t16-/m0/s1", "name": "(-)-Deltoin", "names": [ "(-)-Deltoin" ] }, { "compound_id": "C17483", "inchi": "InChI=1S/C15H16O5/c1-7-4-9(16)13-11(19-7)6-10-8(14(13)18)5-12(17)15(2,3)20-10/h4,6,12,17-18H,5H2,1-3H3/t12-/m0/s1", "name": "Hamaudol", "names": [ "Hamaudol" ] }, { "compound_id": "C17484", "inchi": "InChI=1S/C21H26O10/c1-8-4-10(23)15-12(28-8)6-11-9(16(15)24)5-14(21(2,3)31-11)30-20-19(27)18(26)17(25)13(7-22)29-20/h4,6,13-14,17-20,22,24-27H,5,7H2,1-3H3/t13-,14?,17-,18+,19-,20?/m1/s1", "name": "sec-o-Glucosylhamaudol", "names": [ "sec-o-Glucosylhamaudol" ] }, { "compound_id": "C17486", "inchi": "InChI=1S/C11H17NO2/c1-12(2,3)7-6-9-4-5-10(13)11(14)8-9/h4-5,8H,6-7H2,1-3H3,(H-,13,14)/p+1", "name": "Coryneine", "names": [ "Coryneine" ] }, { "compound_id": "C17487", "inchi": "InChI=1S/C59H94O29/c1-24-41(84-47-39(73)42(30(67)19-78-47)85-51-45(75)58(77,22-63)23-80-51)43(82-25(2)64)40(74)49(81-24)86-44-35(69)29(66)18-79-50(44)88-52(76)59-13-12-53(3,4)14-27(59)26-8-9-32-54(5)15-28(65)46(87-48-38(72)37(71)36(70)31(17-60)83-48)57(20-61,21-62)33(54)10-11-55(32,6)56(26,7)16-34(59)68/h8,24,27-51,60-63,65-75,77H,9-23H2,1-7H3/t24-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42?,43-,44?,45-,46-,47-,48-,49?,50-,51?,54+,55+,56+,58+,59+/m0/s1", "name": "Platycodin C", "names": [ "Platycodin C" ] }, { "compound_id": "C17488", "inchi": "InChI=1S/C15H20O2/c1-10-5-4-6-11(2)14(16)8-13-12(3)9-17-15(13)7-10/h5,9,11H,4,6-8H2,1-3H3/b10-5-/t11-/m0/s1", "name": "Furanogermenone", "names": [ "Furanogermenone" ] }, { "compound_id": "C17489", "inchi": "InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6-", "name": "(4S,5S)-(+)-Germacrone 4,5-epoxide", "names": [ "(4S,5S)-(+)-Germacrone 4,5-epoxide" ] }, { "compound_id": "C17490", "inchi": "InChI=1S/C15H18O3/c1-8-6-12-13(9(2)7-18-12)14(16)15(17)10(3)4-5-11(8)15/h7,10-11,17H,1,4-6H2,2-3H3/t10-,11-,15-/m0/s1", "name": "Zedoarol", "names": [ "Zedoarol" ] }, { "compound_id": "C17491", "inchi": "InChI=1S/C15H22O2/c1-11-5-4-6-12(2)9-15(17)14(8-7-11)13(3)10-16/h6-7,16H,4-5,8-10H2,1-3H3/b11-7+,12-6-,14-13-", "name": "13-Hydroxygermacrone", "names": [ "13-Hydroxygermacrone" ] }, { "compound_id": "C17492", "inchi": "InChI=1S/C15H22O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h12-13H,5-8H2,1-4H3/t12-,13-,15+/m1/s1", "name": "Curcumenone", "names": [ "Curcumenone" ] }, { "compound_id": "C17493", "inchi": "InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6-/t12-,13-/m0/s1", "name": "Curdione", "names": [ "Curdione" ] }, { "compound_id": "C17494", "inchi": "InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,8-9,13H,6-7,10H2,1-4H3/t13-/m0/s1", "name": "Turmerone", "names": [ "Turmerone" ] }, { "compound_id": "C17495", "inchi": "InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1", "name": "(8)-Gingerol", "names": [ "(8)-Gingerol" ] }, { "compound_id": "C17496", "inchi": "InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1", "name": "(10)-Gingerol", "names": [ "(10)-Gingerol" ] }, { "compound_id": "C17497", "inchi": "InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3", "name": "Zingerone", "names": [ "Vanillylacetone", "Zingerone", "Zingiberone", "[0]-Paradol" ] }, { "compound_id": "C17498", "inchi": "InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15-,16+,19-,20+/m0/s1", "name": "Galanolactone", "names": [ "(+)-Galanolactone", "Galanolactone" ] }, { "compound_id": "C17499", "inchi": "InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+", "name": "Notopterol", "names": [ "Notopterol" ] }, { "compound_id": "C17500", "inchi": "InChI=1S/C6H5NO/c7-5-3-1-2-4-6(5)8/h1-4,7H", "name": "6-Iminocyclohexa-2,4-dienone", "names": [ "1,2-Benzoquinone monoimine", "6-Iminocyclohexa-2,4-dienone" ] }, { "compound_id": "C17501", "inchi": "InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3", "name": "Cyperotundone", "names": [ "Cyperenone", "Cyperotundone" ] }, { "compound_id": "C17502", "inchi": "InChI=1S/C15H24O3/c1-7-11(17)6-15-8(2)10(16)5-9(14(15,3)4)13(18)12(7)15/h8-11,13,16-18H,5-6H2,1-4H3/t8-,9-,10+,11+,13+,15+/m1/s1", "name": "Sugetriol", "names": [ "Sugetriol" ] }, { "compound_id": "C17503", "inchi": "InChI=1S/C17H16O5/c1-10(2)6-8-20-14-11-4-5-13(18)22-16(11)17(19-3)15-12(14)7-9-21-15/h4-7,9H,8H2,1-3H3", "name": "Cnidilin", "names": [ "Cnidilin", "Isophellopterin" ] }, { "compound_id": "C17504", "inchi": "InChI=1S/C15H22O2/c1-8-5-6-10-13(17)12-9(2)11(16)7-15(8,12)14(10,3)4/h8,10,13,17H,5-7H2,1-4H3/t8-,10-,13+,15+/m1/s1", "name": "Sugeonol", "names": [ "Sugeonol" ] }, { "compound_id": "C17505", "inchi": "InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3", "name": "Cyperene", "names": [ "(-)-Cyperene", "Cyperene" ] }, { "compound_id": "C17506", "inchi": "InChI=1S/C17H24O3/c1-9-6-7-12-15(20-11(3)18)14-10(2)13(19)8-17(9,14)16(12,4)5/h9,12,15H,6-8H2,1-5H3/t9-,12-,15+,17+/m1/s1", "name": "Sugeonyl acetate", "names": [ "Sugeonyl acetate" ] }, { "compound_id": "C17507", "inchi": "InChI=1S/C25H32O10/c1-24-9-15(13-6-8-32-11-13)34-22(31)14(24)5-7-25(17(24)3-2-4-18(25)27)12-33-23-21(30)20(29)19(28)16(10-26)35-23/h2,4,6,8,11,14-17,19-21,23,26,28-30H,3,5,7,9-10,12H2,1H3/t14-,15-,16+,17-,19+,20-,21+,23+,24+,25-/m0/s1", "name": "Palmatoside G", "names": [ "Palmatoside G" ] }, { "compound_id": "C17508", "inchi": "InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13-,14+,15+,18-,19-,20+/m0/s1", "name": "Isocolumbin", "names": [ "Isocolumbin" ] }, { "compound_id": "C17509", "inchi": null, "name": "Thymine dimer", "names": [ "Cyclobutadithymine (in DNA)", "T-T dimer", "Thymine dimer", "cis-syn Thymine dimer" ] }, { "compound_id": "C17510", "inchi": null, "name": "Two thymine residues (in DNA)", "names": [ "Two adjacent thymine residues (in DNA)", "Two thymine residues (in DNA)" ] }, { "compound_id": "C17512", "inchi": "InChI=1S/C8H10N2O/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3,(H,10,11)", "name": "N-Methylanthranilamide", "names": [ "N-Methyl-2-aminobenzamide", "N-Methylanthranilamide" ] }, { "compound_id": "C17513", "inchi": "InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,36-,37+,38+/m1/s1", "name": "trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester", "names": [ "trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester" ] }, { "compound_id": "C17514", "inchi": "InChI=1S/C21H20O13/c1-31-16-10(25)4-7-12(15(16)28)17-19(34-21(7)30)18(14(27)11(5-22)32-17)33-20(29)6-2-8(23)13(26)9(24)3-6/h2-4,11,14,17-19,22-28H,5H2,1H3", "name": "4-o-Galloylbergenin", "names": [ "4-o-Galloylbergenin" ] }, { "compound_id": "C17515", "inchi": "InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)", "name": "Capsi-amide", "names": [ "CAP-A", "Capsi-amide", "N-(13-Methyltetradecyl)acetamide" ] }, { "compound_id": "C17516", "inchi": "InChI=1S/C76H124O33/c1-13-75(11,108-72-63(94)57(88)53(84)47(33-78)102-72)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-66-59(90)50(81)43(9)100-73(66)98-36-49-55(86)58(89)62(93)71(104-49)106-65-51(82)44(10)99-69(64(65)95)97-35-41(7)25-17-23-37(3)20-15-21-38(4)27-19-29-76(12,14-2)109-74-67(60(91)54(85)48(34-79)103-74)107-70-61(92)56(87)52(83)46(32-77)101-70/h13-14,20,24-27,31,43-67,69-74,77-95H,1-2,15-19,21-23,28-30,32-36H2,3-12H3/b37-20+,38-27+,39-26+,40-24+,41-25-,42-31+/t43-,44-,45+,46+,47+,48+,49+,50-,51-,52+,53+,54+,55+,56-,57-,58-,59+,60-,61+,62+,63+,64+,65+,66+,67+,69+,70-,71-,72-,73+,74-,75+,76+/m0/s1", "name": "Capsianside A", "names": [ "Capsianside A" ] }, { "compound_id": "C17517", "inchi": "InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3", "name": "beta-Terpineol", "names": [ "beta-Terpineol" ] }, { "compound_id": "C17518", "inchi": "InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3", "name": "gamma-Terpineol", "names": [ "gamma-Terpineol" ] }, { "compound_id": "C17519", "inchi": "InChI=1S/C29H30O14/c1-2-17-27(40-12-18-25(36)39-7-6-29(17,18)38)43-28-24(23(35)22(34)20(11-30)41-28)42-26(37)21-16(9-15(32)10-19(21)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,17,20,22-24,27-28,30-35,38H,1,6-7,11H2/t17-,20+,22+,23-,24+,27?,28?,29+/m0/s1", "name": "Amaroswerin", "names": [ "Amaroswerin" ] }, { "compound_id": "C17520", "inchi": "InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3", "name": "11-o-Galloylbergenin", "names": [ "11-o-Galloylbergenin" ] }, { "compound_id": "C17521", "inchi": "InChI=1S/C34H26O23/c35-11-1-7(2-12(36)19(11)39)31(50)57-34-27(47)29-23(43)16(55-34)6-53-32(51)8-3-13(37)20(40)24(44)17(8)18-9(33(52)56-29)5-15(22(42)25(18)45)54-28-10(30(48)49)4-14(38)21(41)26(28)46/h1-5,16,23,27,29,34-47H,6H2,(H,48,49)/t16-,23-,27-,29+,34+/m1/s1", "name": "Mallotinic acid", "names": [ "Mallotinic acid" ] }, { "compound_id": "C17522", "inchi": "InChI=1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16-,17-,18+,19+,20-,22+,23-,24+,25+,26-,27-,28+,29-/m0/s1", "name": "Mallogenin-3-o-alpha-L-rhamnopyranoside", "names": [ "Mallogenin-3-o-alpha-L-rhamnopyranoside", "Malloside" ] }, { "compound_id": "C17523", "inchi": "InChI=1S/C29H44O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-7-28(13-30)16(10-17)3-4-19-22(28)20(31)11-27(2)18(6-8-29(19,27)36)15-9-21(32)37-12-15/h9,14,16-20,22-26,30-31,33-36H,3-8,10-13H2,1-2H3/t14-,16-,17-,18+,19+,20-,22+,23-,24+,25+,26-,27+,28+,29-/m0/s1", "name": "Panogenin-3-o-alpha-L-rhamnopyranoside", "names": [ "Panogenin-3-o-alpha-L-rhamnopyranoside", "Panoside" ] }, { "compound_id": "C17524", "inchi": "InChI=1S/C29H44O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,15,17-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t15-,17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29-/m0/s1", "name": "Coroglaucigenin-3-o-alpha-L-rhamnopyranoside", "names": [ "Coroglaucigenin-3-o-alpha-L-rhamnopyranoside" ] }, { "compound_id": "C17525", "inchi": "InChI=1S/C29H42O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,14-15,17-21,23-26,32-35H,3-10,12-13H2,1-2H3/t15-,17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29-/m0/s1", "name": "Corotoxigenin-3-O-alpha-L-rhamnopyranoside", "names": [ "Corotoxigenin-3-O-alpha-L-rhamnopyranoside" ] }, { "compound_id": "C17526", "inchi": "InChI=1S/C36H54O14/c1-17-30(50-32-28(42)27(41)26(40)24(14-37)49-32)31(45-3)29(43)33(47-17)48-20-6-10-35(16-38)19(13-20)4-5-23-22(35)7-9-34(2)21(8-11-36(23,34)44)18-12-25(39)46-15-18/h12,16-17,19-24,26-33,37,40-44H,4-11,13-15H2,1-3H3/t17-,19+,20+,21-,22+,23-,24-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36+/m1/s1", "name": "Boivinide A", "names": [ "Boivinide A", "Corotoxigenin-3-O-beta-D-glucopyranosyl-(1->4)-beta-D-digitalopyranoside" ] }, { "compound_id": "C17527", "inchi": "InChI=1S/C8H16O3/c9-6-5-8(11)3-1-7(10)2-4-8/h7,9-11H,1-6H2/t7-,8+", "name": "Rengyol", "names": [ "Rengyol" ] }, { "compound_id": "C17528", "inchi": "InChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19?,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1", "name": "beta-Hydroxyacteoside", "names": [ "beta-Hydroxyacteoside" ] }, { "compound_id": "C17529", "inchi": "InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1", "name": "(-)-Pinoresinol glucoside", "names": [ "(-)-Pinoresinol glucoside" ] }, { "compound_id": "C17530", "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3", "name": "Methyl acetate", "names": [ "Devoton", "Methyl acetate", "Tereton" ] }, { "compound_id": "C17531", "inchi": "InChI=1S/C21H22O12/c22-6-15-18(28)19(29)20(30)21(33-15)32-14-2-7(1-11(26)17(14)27)12-5-10(25)16-9(24)3-8(23)4-13(16)31-12/h1-4,12,15,18-24,26-30H,5-6H2/t12-,15+,18+,19-,20+,21+/m0/s1", "name": "Plantagoside", "names": [ "Plantagoside" ] }, { "compound_id": "C17532", "inchi": "InChI=1S/C10H10N2O4/c1-14-8-6-4-3-5-7(8)12-10(13)16-9(11-12)15-2/h3-6H,1-2H3", "name": "Metoxadiazone", "names": [ "Metoxadiazone" ] }, { "compound_id": "C17533", "inchi": "InChI=1S/C21H18N2O2/c1-25-21(24)16-7-4-5-13-12-23-10-9-15-14-6-2-3-8-18(14)22-20(15)19(23)11-17(13)16/h2-8,11,22H,9-10,12H2,1H3", "name": "Gambirtannine", "names": [ "Gambirtannine" ] }, { "compound_id": "C17534", "inchi": "InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24-,25-,26-,28+,29-,30-,31+/m0/s1", "name": "Cylindrin", "names": [ "Cylindrin" ] }, { "compound_id": "C17535", "inchi": "InChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3/b8-6-,14-12-,17-15-", "name": "Aplotaxene", "names": [ "Aplotaxene" ] }, { "compound_id": "C17536", "inchi": "InChI=1S/C57H94O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h6,22-23,25-54,58-73H,7-21H2,1-5H3", "name": "Sibiricoside A", "names": [ "Sibiricoside A" ] }, { "compound_id": "C17537", "inchi": "InChI=1S/C50H80O24/c1-19-11-30(55)50(66-17-19)20(2)31-26(74-50)13-49(64)24-6-5-21-12-22(7-9-47(21,3)23(24)8-10-48(31,49)4)67-44-39(63)36(60)40(29(16-53)70-44)71-46-42(73-45-38(62)35(59)33(57)27(14-51)68-45)41(34(58)28(15-52)69-46)72-43-37(61)32(56)25(54)18-65-43/h5,19-20,22-46,51-64H,6-18H2,1-4H3", "name": "Sibiricoside B", "names": [ "Sibiricoside B" ] }, { "compound_id": "C17538", "inchi": "InChI=1S/C30H48O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-23,31-33H,8-15H2,1-7H3/t16-,17?,18+,19+,20+,21-,22+,23-,26-,27-,28-,29+,30?/m1/s1", "name": "Cimigenol", "names": [ "Cimigenol" ] }, { "compound_id": "C17539", "inchi": "InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,58)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-42-39(64-41-38(57)35(54)33(52)26(19-48)61-41)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45+,46+,47-/m0/s1", "name": "Chikusetsusaponin III", "names": [ "Chikusetsusaponin III" ] }, { "compound_id": "C17540", "inchi": "InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-33(55)30(52)28(50)23(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(36(64-40)37(57)58)63-38-32(54)29(51)24(20-49)60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/t22-,23+,24-,25-,26+,27?,28+,29-,30-,31+,32+,33+,34+,35?,36-,38?,39-,40?,44-,45+,46+,47-/m0/s1", "name": "Chikusetsusaponin IV", "names": [ "Araloside A", "Chikusetsusaponin IV" ] }, { "compound_id": "C17541", "inchi": "InChI=1S/C96H160N10O26P2/c1-60(2)31-21-32-61(3)33-22-34-62(4)35-23-36-63(5)37-24-38-64(6)39-25-40-65(7)41-26-42-66(8)43-27-44-67(9)45-28-46-68(10)47-29-48-69(11)49-30-50-70(12)54-56-126-133(122,123)132-134(124,125)131-96-84(104-76(18)110)88(87(80(59-108)129-96)130-95-83(103-75(17)109)86(114)85(113)79(58-107)128-95)127-74(16)92(118)100-72(14)91(117)106-77(89(98)115)52-53-81(111)105-78(51-19-20-55-99-82(112)57-97)93(119)101-71(13)90(116)102-73(15)94(120)121/h31,33,35,37,39,41,43,45,47,49,54,71-74,77-80,83-88,95-96,107-108,113-114H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-59,97H2,1-18H3,(H2,98,115)(H,99,112)(H,100,118)(H,101,119)(H,102,116)(H,103,109)(H,104,110)(H,105,111)(H,106,117)(H,120,121)(H,122,123)(H,124,125)/b61-33+,62-35+,63-37-,64-39-,65-41-,66-43-,67-45-,68-47-,69-49-,70-54-/t71-,72+,73-,74-,77-,78+,79-,80-,83-,84-,85-,86-,87?,88-,95?,96-/m1/s1", "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine", "names": [ "Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala", "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine" ] }, { "compound_id": "C17542", "inchi": "InChI=1S/C100H166N12O28P2/c1-62(2)31-21-32-63(3)33-22-34-64(4)35-23-36-65(5)37-24-38-66(6)39-25-40-67(7)41-26-42-68(8)43-27-44-69(9)45-28-46-70(10)47-29-48-71(11)49-30-50-72(12)54-56-134-141(130,131)140-142(132,133)139-100-88(110-78(18)116)92(91(82(61-114)137-100)138-99-87(109-77(17)115)90(122)89(121)81(60-113)136-99)135-76(16)96(126)106-74(14)95(125)112-79(93(102)123)52-53-83(117)111-80(97(127)107-73(13)94(124)108-75(15)98(128)129)51-19-20-55-103-85(119)58-105-86(120)59-104-84(118)57-101/h31,33,35,37,39,41,43,45,47,49,54,73-76,79-82,87-92,99-100,113-114,121-122H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-61,101H2,1-18H3,(H2,102,123)(H,103,119)(H,104,118)(H,105,120)(H,106,126)(H,107,127)(H,108,124)(H,109,115)(H,110,116)(H,111,117)(H,112,125)(H,128,129)(H,130,131)(H,132,133)/b63-33+,64-35+,65-37-,66-39-,67-41-,68-43-,69-45-,70-47-,71-49-,72-54-/t73-,74+,75-,76-,79-,80+,81-,82-,87-,88-,89-,90-,91?,92-,99?,100-/m1/s1", "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine", "names": [ "Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala", "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine" ] }, { "compound_id": "C17543", "inchi": "InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27?,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41?,45-,46+,47+,48-/m0/s1", "name": "Chikusetsusaponin V", "names": [ "Chikusetsusaponin V", "Ginsenoside Ro" ] }, { "compound_id": "C17544", "inchi": "InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3", "name": "Chikusetsusaponin Ia", "names": [ "Chikusetsusaponin Ia" ] }, { "compound_id": "C17545", "inchi": "InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)22(23(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)61-40-33(55)30(52)34(62-39-32(54)29(51)24(20-49)60-39)35(63-40)37(57)65-38-21(19-48)28(50)31(53)36(56)64-38/h8,21,23-36,38-40,48-56H,9-20H2,1-7H3,(H,58,59)", "name": "Chikusetsusaponin Ib", "names": [ "Chikusetsusaponin Ib" ] }, { "compound_id": "C17546", "inchi": "InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(61-22)60-20-26-32(52)34(54)36(56)39(62-26)64-37-31(51)25(49)19-59-40(37)63-29-11-12-43(4)27(44(29,5)21-48)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25-,26+,27+,28+,29?,30-,31-,32+,33+,34-,35+,36+,37+,38+,39-,40?,43-,44-,45+,46+,47-/m0/s1", "name": "Akeboside Stf", "names": [ "Akeboside Stf" ] }, { "compound_id": "C17547", "inchi": "InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26+,27?,28-,29+,30-,31+,32+,33-,34?,37-,38-,39+,40+,41-/m0/s1", "name": "Akeboside Std", "names": [ "Akebia saponin C", "Akeboside Std", "Cauloside C" ] }, { "compound_id": "C17548", "inchi": "InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(60-22)59-21-26-32(51)34(53)36(55)39(61-26)63-37-31(50)25(48)20-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29?,30-,31-,32+,33+,34-,35+,36+,37+,38+,39-,40?,44-,45+,46+,47-/m0/s1", "name": "Akeboside Ste", "names": [ "Akeboside Ste" ] }, { "compound_id": "C17549", "inchi": "InChI=1S/C100H166N10O28P2/c1-61(2)33-23-34-62(3)35-24-36-63(4)37-25-38-64(5)39-26-40-65(6)41-27-42-66(7)43-28-44-67(8)45-29-46-68(9)47-30-48-69(10)49-31-50-70(11)51-32-52-71(12)56-58-132-139(128,129)138-140(130,131)137-100-86(108-79(20)114)90(89(83(60-112)135-100)136-99-85(107-78(19)113)88(117)87(116)82(59-111)134-99)133-77(18)95(122)104-75(16)94(121)110-81(98(126)127)54-55-84(115)109-80(96(123)105-74(15)93(120)106-76(17)97(124)125)53-21-22-57-102-92(119)73(14)103-91(118)72(13)101/h33,35,37,39,41,43,45,47,49,51,56,72-77,80-83,85-90,99-100,111-112,116-117H,21-32,34,36,38,40,42,44,46,48,50,52-55,57-60,101H2,1-20H3,(H,102,119)(H,103,118)(H,104,122)(H,105,123)(H,106,120)(H,107,113)(H,108,114)(H,109,115)(H,110,121)(H,124,125)(H,126,127)(H,128,129)(H,130,131)/b62-35+,63-37+,64-39-,65-41-,66-43-,67-45-,68-47-,69-49-,70-51-,71-56-/t72-,73-,74+,75-,76+,77+,80-,81+,82+,83+,85+,86+,87+,88+,89?,90+,99?,100+/m0/s1", "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine", "names": [ "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine" ] }, { "compound_id": "C17550", "inchi": "InChI=1S/C97H161N9O27P2/c1-60(2)32-22-33-61(3)34-23-35-62(4)36-24-37-63(5)38-25-39-64(6)40-26-41-65(7)42-27-43-66(8)44-28-45-67(9)46-29-47-68(10)48-30-49-69(11)50-31-51-70(12)55-57-127-134(123,124)133-135(125,126)132-97-84(104-77(19)110)88(87(81(59-108)130-97)131-96-83(103-76(18)109)86(113)85(112)80(58-107)129-96)128-75(17)92(117)100-73(15)91(116)106-79(95(121)122)53-54-82(111)105-78(52-20-21-56-99-89(114)71(13)98)93(118)101-72(14)90(115)102-74(16)94(119)120/h32,34,36,38,40,42,44,46,48,50,55,71-75,78-81,83-88,96-97,107-108,112-113H,20-31,33,35,37,39,41,43,45,47,49,51-54,56-59,98H2,1-19H3,(H,99,114)(H,100,117)(H,101,118)(H,102,115)(H,103,109)(H,104,110)(H,105,111)(H,106,116)(H,119,120)(H,121,122)(H,123,124)(H,125,126)/b61-34+,62-36+,63-38-,64-40-,65-42-,66-44-,67-46-,68-48-,69-50-,70-55-/t71-,72+,73-,74+,75+,78-,79+,80+,81+,83+,84+,85+,86+,87?,88+,96?,97+/m0/s1", "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine", "names": [ "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine" ] }, { "compound_id": "C17551", "inchi": "InChI=1S/C16H22O2/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(17)16(14)18/h5-6,8-10,17-18H,4,7,11H2,1-3H3/b13-10+", "name": "2-Polyprenyl-6-hydroxyphenol", "names": [ "2-Polyprenyl-6-hydroxyphenol", "3-Polyprenylcatechol" ] }, { "compound_id": "C17552", "inchi": "InChI=1S/C17H24O2/c1-13(2)7-5-8-14(3)11-12-15-9-6-10-16(19-4)17(15)18/h6-7,9-11,18H,5,8,12H2,1-4H3/b14-11+", "name": "2-Polyprenyl-6-methoxyphenol", "names": [ "2-Polyprenyl-6-methoxyphenol" ] }, { "compound_id": "C17553", "inchi": "InChI=1S/C53H78O17/c1-27(54)35-21-23-53(59)36-18-17-33-24-34(20-22-51(33,6)42(36)47(66-31(5)55)49(52(35,53)7)68-39(56)19-16-32-14-12-11-13-15-32)67-40-25-37(60-8)45(29(3)63-40)69-41-26-38(61-9)46(30(4)64-41)70-50-44(58)48(62-10)43(57)28(2)65-50/h11-16,19,28-30,33-38,40-50,57-59H,17-18,20-26H2,1-10H3/b19-16+/t28-,29-,30-,33?,34+,35-,36?,37+,38+,40+,41?,42?,43-,44-,45?,46?,47+,48-,49-,50?,51+,52+,53+/m1/s1", "name": "Condurango glycoside A", "names": [ "Condurango glycoside A" ] }, { "compound_id": "C17554", "inchi": "InChI=1S/C17H22O4/c1-11(2)5-4-6-12(3)7-8-13-9-14(17(20)21)10-15(18)16(13)19/h5,7,9-10,18-19H,4,6,8H2,1-3H3,(H,20,21)/b12-7+", "name": "3-Polyprenyl-4,5-dihydroxybenzoate", "names": [ "3,4-Dihydroxy-5-polyprenylbenzoate", "3-Polyprenyl-4,5-dihydroxybenzoate" ] }, { "compound_id": "C17555", "inchi": "InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1", "name": "Icariin", "names": [ "Icariin" ] }, { "compound_id": "C17556", "inchi": "InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-", "name": "di-trans,poly-cis-Undecaprenyl phosphate", "names": [ "Undecaprenyl phosphate", "di-trans,poly-cis-Undecaprenyl phosphate", "ditrans,octacis-Undecaprenyl phosphate" ] }, { "compound_id": "C17557", "inchi": "InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3+", "name": "Lonicerin", "names": [ "Lonicerin" ] }, { "compound_id": "C17558", "inchi": "InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-", "name": "di-trans,poly-cis-Undecaprenol", "names": [ "Undecaprenol", "di-trans,poly-cis-Undecaprenol" ] }, { "compound_id": "C17559", "inchi": "InChI=1S/C18H24O4/c1-12(2)6-5-7-13(3)8-9-14-10-15(18(20)21)11-16(22-4)17(14)19/h6,8,10-11,19H,5,7,9H2,1-4H3,(H,20,21)/b13-8+", "name": "3-Polyprenyl-4-hydroxy-5-methoxybenzoate", "names": [ "3-Polyprenyl-4-hydroxy-5-methoxybenzoate" ] }, { "compound_id": "C17560", "inchi": "InChI=1S/C17H22O3/c1-12(2)6-5-7-13(3)8-9-14-10-15(18)11-16(20-4)17(14)19/h6,8,10-11H,5,7,9H2,1-4H3/b13-8+", "name": "2-Polyprenyl-6-methoxy-1,4-benzoquinone", "names": [ "2-Polyprenyl-6-methoxy-1,4-benzoquinone" ] }, { "compound_id": "C17561", "inchi": "InChI=1S/C18H24O3/c1-12(2)7-6-8-13(3)9-10-15-14(4)16(19)11-17(21-5)18(15)20/h7,9,11H,6,8,10H2,1-5H3/b13-9+", "name": "2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone", "names": [ "2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone" ] }, { "compound_id": "C17562", "inchi": "InChI=1S/C18H24O4/c1-11(2)7-6-8-12(3)9-10-14-13(4)15(19)17(21)18(22-5)16(14)20/h7,9,21H,6,8,10H2,1-5H3/b12-9+", "name": "2-Polyprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone", "names": [ "2-Polyprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone" ] }, { "compound_id": "C17563", "inchi": "InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1", "name": "Multinoside A", "names": [ "Multinoside A" ] }, { "compound_id": "C17564", "inchi": "InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18+,19-/m1/s1", "name": "Zizybeoside I", "names": [ "Zizybeoside I" ] }, { "compound_id": "C17565", "inchi": "InChI=1S/C25H38O16/c26-6-11-14(29)17(32)19(34)23(37-11)40-21-16(31)13(8-28)39-25(36-9-10-4-2-1-3-5-10)22(21)41-24-20(35)18(33)15(30)12(7-27)38-24/h1-5,11-35H,6-9H2/t11-,12+,13-,14-,15+,16-,17+,18-,19-,20+,21+,22-,23+,24+,25-/m1/s1", "name": "Zizybeoside II", "names": [ "Zizybeoside II" ] }, { "compound_id": "C17566", "inchi": "InChI=1S/C38H70O4/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38(40)42-36(4)35(3)41-37(39)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h15-18,35-36H,5-14,19-34H2,1-4H3/b17-15+,18-16-/t35-,36+/m1/s1", "name": "Coixenolide", "names": [ "Coixenolide" ] }, { "compound_id": "C17567", "inchi": "InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-18(22)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)/p+1/t17-/m1/s1", "name": "Lotusine", "names": [ "(-)-Lotusine", "D-(-)-Lotusine", "Lotusine" ] }, { "compound_id": "C17568", "inchi": "InChI=1S/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+", "name": "Ubiquinone-6", "names": [ "Coenzyme Q6", "Ubiquinone-6" ] }, { "compound_id": "C17569", "inchi": "InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+", "name": "Ubiquinone-8", "names": [ "Coenzyme Q8", "Ubiquinone-8" ] }, { "compound_id": "C17570", "inchi": "InChI=1S/C52H80O2/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-50-39-51(53)38-49(11)52(50)54/h20,22,24,26,28,30,32,34,36,38-39,53-54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+", "name": "2-Methyl-6-solanyl-1,4-benzoquinol", "names": [ "2-Methyl-6-nonaprenyl-benzene-1,4-diol", "2-Methyl-6-solanyl-1,4-benzoquinol" ] }, { "compound_id": "C17571", "inchi": "InChI=1S/C21H39N7O13/c1-26-9-13(35)10(32)5(2-29)38-17(9)41-16-18(39-6(3-30)21(16,37)4-31)40-15-8(28-20(24)25)11(33)7(27-19(22)23)12(34)14(15)36/h4-18,26,29-30,32-37H,2-3H2,1H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15?,16?,17?,18?,21+/m0/s1", "name": "5'-Hydroxystreptomycin", "names": [ "5'-Hydroxystreptomycin" ] }, { "compound_id": "C17572", "inchi": "InChI=1S/C8H17N4O9P/c9-7(10)12-1-2(13)6(20-8(11)16)4(15)3(14)5(1)21-22(17,18)19/h1-6,13-15H,(H2,11,16)(H4,9,10,12)(H2,17,18,19)/t1-,2-,3+,4+,5+,6+/m0/s1", "name": "Bluensidine 6-phosphate", "names": [ "Bluensidine 6-phosphate" ] }, { "compound_id": "C17573", "inchi": "InChI=1S/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14?,15+,16?,17?,18?,21+/m0/s1", "name": "Bluensomycin", "names": [ "Bluensomycin" ] }, { "compound_id": "C17574", "inchi": "InChI=1S/C6H14N2O4/c7-1-3(9)2(8)5(11)6(12)4(1)10/h1-6,9-12H,7-8H2/t1-,2+,3+,4+,5-,6-", "name": "2-epi-Streptamine", "names": [ "2-epi-Streptamine" ] }, { "compound_id": "C17575", "inchi": "InChI=1S/C8H18N2O4/c1-9-3-5(11)4(10-2)7(13)8(14)6(3)12/h3-14H,1-2H3/t3-,4+,5+,6+,7-,8-", "name": "Actinamine", "names": [ "Actinamine", "Spectinamine" ] }, { "compound_id": "C17576", "inchi": "InChI=1S/C6H11NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-4,6,8-10,12H,7H2/t1-,2-,3+,4+,6-/m0/s1", "name": "3-Keto-scyllo-inosamine", "names": [ "3-Keto-scyllo-inosamine" ] }, { "compound_id": "C17577", "inchi": "InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2+,3-,4-,5+", "name": "myo-Inosose-5", "names": [ "myo-Inosose-5" ] }, { "compound_id": "C17578", "inchi": "InChI=1S/C6H13NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H,7H2/t1-,2+,3-,4-,5+,6-", "name": "neo-Inosamine-2", "names": [ "2L-2-Amino-2-deoxy-neo-inositol", "neo-Inosamine-2" ] }, { "compound_id": "C17579", "inchi": "InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)/b8-5+/t13-,14+,15-,16-,17+,18+,19-,20+,21-,23-/m1/s1", "name": "Hygromycin A", "names": [ "Hygromycin A" ] }, { "compound_id": "C17580", "inchi": "InChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/t2-,3+,4+,5-,6-/m0/s1", "name": "2-Deoxy-scyllo-inosamine", "names": [ "2-Deoxy-scyllo-inosamine" ] }, { "compound_id": "C17581", "inchi": "InChI=1S/C6H11NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-6,9-11H,1,7H2/t2-,4+,5-,6-/m0/s1", "name": "3-Amino-2,3-dideoxy-scyllo-inosose", "names": [ "2-Deoxy-3-keto-scyllo-inosamine", "3-Amino-2,3-dideoxy-scyllo-inosose" ] }, { "compound_id": "C17582", "inchi": "InChI=1S/C14H27N3O8/c1-4(19)17-8-11(22)10(21)7(3-18)24-14(8)25-13-6(16)2-5(15)9(20)12(13)23/h5-14,18,20-23H,2-3,15-16H2,1H3,(H,17,19)/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14-/m1/s1", "name": "2'-N-Acetylparomamine", "names": [ "2'-N-Acetylparomamine" ] }, { "compound_id": "C17583", "inchi": "InChI=1S/C12H23N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h2-12,17-20H,1,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1", "name": "6'-Dehydro-6'-oxoparomamine", "names": [ "6'-Dehydro-6'-oxoparomamine" ] }, { "compound_id": "C17584", "inchi": "InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11+,12-,13-,14-,15-,16-,17+/m1/s1", "name": "Xylostasin", "names": [ "Xylostasin" ] }, { "compound_id": "C17585", "inchi": "InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1", "name": "Butirosin A", "names": [ "Butirosin A" ] }, { "compound_id": "C17586", "inchi": "InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21-/m0/s1", "name": "Butirosin B", "names": [ "Butirosin B" ] }, { "compound_id": "C17587", "inchi": "InChI=1S/C25H47N5O15/c1-6(33)30-13-18(38)16(36)10(4-31)41-24(13)44-21-11(5-32)42-25(19(21)39)45-22-14(34)7(27)2-8(28)20(22)43-23-12(29)17(37)15(35)9(3-26)40-23/h7-25,31-32,34-39H,2-5,26-29H2,1H3,(H,30,33)/t7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+/m1/s1", "name": "2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C", "names": [ "2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C" ] }, { "compound_id": "C17588", "inchi": "InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-6(26)1-5(25)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", "name": "6'''-Deamino-6'''-hydroxyneomycin C", "names": [ "6'''-Deamino-6'''-hydroxyneomycin C" ] }, { "compound_id": "C17589", "inchi": "InChI=1S/C23H43N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-6(26)1-5(25)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(28)16(35)14(33)8(3-29)38-22/h3,5-23,30-36H,1-2,4,24-28H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", "name": "6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C", "names": [ "6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C" ] }, { "compound_id": "C17590", "inchi": "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2", "name": "Catechin", "names": [ "(+/-)-Catechin", "Catechin" ] }, { "compound_id": "C17591", "inchi": "InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1", "name": "(S)-Corytuberine", "names": [ "(S)-Corytuberine" ] }, { "compound_id": "C17592", "inchi": "InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3", "name": "Laudanine", "names": [ "Laudanine" ] }, { "compound_id": "C17593", "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13+,14-,18+,21+/m1/s1", "name": "Uncarine A", "names": [ "Uncarine A" ] }, { "compound_id": "C17594", "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13+,14-,18+,21-/m1/s1", "name": "Uncarine B", "names": [ "Formosamine", "Uncarine B" ] }, { "compound_id": "C17595", "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18-,21+/m0/s1", "name": "Uncarine C", "names": [ "Uncarine C" ] }, { "compound_id": "C17596", "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18+,21-/m0/s1", "name": "Uncarine D", "names": [ "Speciophylline", "Uncarine D" ] }, { "compound_id": "C17597", "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18-,21-/m0/s1", "name": "Uncarine E", "names": [ "Uncarine E" ] }, { "compound_id": "C17598", "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18+,21+/m0/s1", "name": "Uncarine F", "names": [ "Uncarine F" ] }, { "compound_id": "C17599", "inchi": "InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1", "name": "Methylarbutin", "names": [ "Methylarbutin" ] }, { "compound_id": "C17600", "inchi": "InChI=1S/C27H30O15/c1-9-23(41-27-21(36)19(34)17(32)15(8-28)40-27)20(35)22(37)26(38-9)42-25-18(33)16-13(31)6-12(30)7-14(16)39-24(25)10-2-4-11(29)5-3-10/h2-7,9,15,17,19-23,26-32,34-37H,8H2,1H3/t9-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1", "name": "Multiflorin B", "names": [ "Multiflorin B" ] }, { "compound_id": "C17601", "inchi": "InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2", "name": "2(5H)-Furanone", "names": [ "2(5H)-Furanone", "Butenolide", "gamma-Crotonolactone" ] }, { "compound_id": "C17602", "inchi": "InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H,2H2", "name": "2(3H)-Furanone", "names": [ "2(3H)-Furanone", "alpha-Crotonolactone" ] }, { "compound_id": "C17603", "inchi": "InChI=1S/C15H26O3/c1-9(2)11-7-8-14(4)12(16)6-5-10(3)15(14,18)13(11)17/h9,11-13,16-18H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15-/m0/s1", "name": "Kikkanol A", "names": [ "Kikkanol A" ] }, { "compound_id": "C17604", "inchi": "InChI=1S/C15H24O2/c1-10(2)11-6-7-15(3)13(8-11)12(9-16)4-5-14(15)17/h4,8,10-11,14,16-17H,5-7,9H2,1-3H3/t11-,14-,15-/m1/s1", "name": "Kikkanol B", "names": [ "Kikkanol B" ] }, { "compound_id": "C17605", "inchi": "InChI=1S/C15H24O3/c1-9(2)11-7-12-10(8-16)5-4-6-15(12,3)14(18)13(11)17/h5,8-9,11-14,17-18H,4,6-7H2,1-3H3/t11-,12-,13+,14+,15-/m0/s1", "name": "Kikkanol C", "names": [ "Kikkanol C" ] }, { "compound_id": "C17606", "inchi": "InChI=1S/C15H26O3/c1-10(2)13-8-7-12(9-16)6-4-5-11(3)14(17)15(13)18/h6,10,13-18H,3-5,7-9H2,1-2H3/b12-6+/t13-,14+,15+/m0/s1", "name": "Kikkanol D", "names": [ "Kikkanol D" ] }, { "compound_id": "C17607", "inchi": "InChI=1S/C15H24O3/c1-10(2)13-8-7-12(9-16)6-4-5-11(3)14(17)15(13)18/h6,9-10,13-15,17-18H,3-5,7-8H2,1-2H3/b12-6+/t13-,14+,15+/m0/s1", "name": "Kikkanol E", "names": [ "Kikkanol E" ] }, { "compound_id": "C17608", "inchi": "InChI=1S/C15H26O3/c1-10(2)13-8-7-12(9-16)6-4-5-11(3)14(17)15(13)18/h6,10,13-18H,3-5,7-9H2,1-2H3/b12-6-/t13-,14+,15+/m0/s1", "name": "Kikkanol F", "names": [ "Kikkanol F" ] }, { "compound_id": "C17609", "inchi": "InChI=1S/C15H22O2/c1-9(2)11-5-7-14(4)8-6-12-10(3)15(14,16)13(11)17-12/h11-13,16H,1,3,5-8H2,2,4H3", "name": "Chrysantherol", "names": [ "Chrysantherol" ] }, { "compound_id": "C17610", "inchi": "InChI=1S/C15H26O3/c1-10-5-7-12(15(3,4)18)9-14(17)11(2)6-8-13(10)16/h12-14,16-18H,1-2,5-9H2,3-4H3/t12-,13+,14+/m1/s1", "name": "Chrysanthetriol", "names": [ "Chrysanthetriol" ] }, { "compound_id": "C17611", "inchi": "InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3", "name": "Chrysanthemol", "names": [ "Chrysanthemol" ] }, { "compound_id": "C17612", "inchi": "InChI=1S/C15H24O3/c1-11-6-7-12(10-13(11)16)15(4,18)9-5-8-14(2,3)17/h5-6,8,12,17-18H,7,9-10H2,1-4H3/b8-5+/t12-,15+/m0/s1", "name": "Indicumenone", "names": [ "Indicumenone" ] }, { "compound_id": "C17614", "inchi": "InChI=1S/C19H34O10/c1-3-5-6-7-10(4-2)28-19-17(25)15(23)14(22)12(29-19)9-27-18-16(24)13(21)11(20)8-26-18/h4,10-25H,2-3,5-9H2,1H3/t10-,11+,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1", "name": "1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside", "names": [ "1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside" ] }, { "compound_id": "C17615", "inchi": "InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)", "name": "Kukoamine A", "names": [ "Kukoamine A" ] }, { "compound_id": "C17616", "inchi": "InChI=1S/C28H42N4O6/c29-13-3-18-32(28(38)12-8-22-6-10-24(34)26(36)20-22)17-2-1-14-30-15-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)", "name": "Kukoamine B", "names": [ "Kukoamine B" ] }, { "compound_id": "C17617", "inchi": "InChI=1S/C28H42N4O6/c29-13-3-17-31(27(37)11-7-21-5-9-23(33)25(35)19-21)15-1-2-16-32(18-4-14-30)28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,33-36H,1-4,7-8,11-18,29-30H2", "name": "Kukoamine C", "names": [ "Kukoamine C" ] }, { "compound_id": "C17618", "inchi": "InChI=1S/C28H42N4O6/c29-13-3-15-30-14-1-2-17-32(28(38)12-8-22-6-10-24(34)26(36)20-22)18-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)", "name": "Kukoamine D", "names": [ "Kukoamine D" ] }, { "compound_id": "C17619", "inchi": "InChI=1S/C17H18N2OS/c1-12(18(2)3)17(20)19-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)19/h4-12H,1-3H3", "name": "10-(beta-Dimethylaminopropionyl)phenothiazine", "names": [ "10-(beta-Dimethylaminopropionyl)phenothiazine" ] }, { "compound_id": "C17620", "inchi": "InChI=1S/C10H18O3/c1-9(2)6-4-7(11)10(3,13-9)8(12)5-6/h6-8,11-12H,4-5H2,1-3H3", "name": "Epomediol", "names": [ "2,6-Dihydroxycineol", "Epomediol" ] }, { "compound_id": "C17621", "inchi": "InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+", "name": "10-Hydroxygeraniol", "names": [ "10-Hydroxygeraniol", "8-Hydroxygeraniol" ] }, { "compound_id": "C17622", "inchi": "InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+", "name": "10-Oxogeranial", "names": [ "10-Oxogeranial", "8-Oxogeranial" ] }, { "compound_id": "C17623", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m0/s1", "name": "(-)-Pulegone", "names": [ "(-)-Pulegone" ] }, { "compound_id": "C17624", "inchi": "InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1", "name": "Cinnamtannin A1", "names": [ "Cinnamtannin A1", "Proanthocyanidin C1", "Procyanidin C1" ] }, { "compound_id": "C17625", "inchi": "InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1", "name": "Cinnamtannin A2", "names": [ "Cinnamtannin A2" ] }, { "compound_id": "C17626", "inchi": "InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1", "name": "Cinnamtannin A3", "names": [ "Cinnamtannin A3" ] }, { "compound_id": "C17627", "inchi": null, "name": "Prenyl diphosphate", "names": [ "Prenol pyrophosphate", "Prenyl diphosphate" ] }, { "compound_id": "C17628", "inchi": null, "name": "Prenol", "names": [ "Prenol" ] }, { "compound_id": "C17629", "inchi": "InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1", "name": "Cinnamtannin B2", "names": [ "Cinnamtannin B2" ] }, { "compound_id": "C17631", "inchi": "InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1", "name": "Cinnamtannin B1", "names": [ "Cinnamtannin B1" ] }, { "compound_id": "C17632", "inchi": "InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1", "name": "Cinnamtannin D1", "names": [ "Cinnamtannin D1" ] }, { "compound_id": "C17633", "inchi": "InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48+,49-,50+,51+,52+,53+,54+,55+,59+,60+/m0/s1", "name": "Cinnamtannin D2", "names": [ "Cinnamtannin D2" ] }, { "compound_id": "C17634", "inchi": "InChI=1S/C16H26O7/c1-8-3-4-10(11(18)5-8)9(2)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h7-8,10,12-17,19-21H,3-6H2,1-2H3/b9-7+", "name": "Schizonepetoside A", "names": [ "Schizonepetoside A" ] }, { "compound_id": "C17635", "inchi": "InChI=1S/C16H26O7/c1-8-3-4-9(10(18)5-8)16(2)7-21-15-14(23-16)13(20)12(19)11(6-17)22-15/h8-9,11-15,17,19-20H,3-7H2,1-2H3", "name": "Schizonepetoside B", "names": [ "Schizonepetoside B" ] }, { "compound_id": "C17636", "inchi": "InChI=1S/C16H26O7/c1-8-3-4-10(11(18)5-8)9(2)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h8,12-17,19-21H,3-7H2,1-2H3/b10-9+", "name": "Schizonepetoside C", "names": [ "Schizonepetoside C" ] }, { "compound_id": "C17637", "inchi": "InChI=1S/C16H26O7/c1-8-3-4-10(11(18)5-8)9(2)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h8,10,12-17,19-21H,2-7H2,1H3", "name": "Schizonepetoside D", "names": [ "Schizonepetoside D" ] }, { "compound_id": "C17638", "inchi": "InChI=1S/C16H28O8/c1-8-3-4-9(10(18)5-8)16(2,22)7-23-15-14(21)13(20)12(19)11(6-17)24-15/h8-9,11-15,17,19-22H,3-7H2,1-2H3", "name": "Schizonepetoside E", "names": [ "Schizonepetoside E" ] }, { "compound_id": "C17639", "inchi": "InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1", "name": "Procyanidin B2", "names": [ "Procyanidin B2", "Procyanidol B2" ] }, { "compound_id": "C17640", "inchi": "InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29-,30-/m1/s1", "name": "Procyanidin B5", "names": [ "Procyanidin B5", "Procyanidol B5" ] }, { "compound_id": "C17641", "inchi": "InChI=1S/C20H30O7/c1-10(2)17(24)8-12(21)15(4)9-19(26)16(17,5)14(23)20(27-19)13(22)11(3)6-7-18(15,20)25/h10-11,13,22,24-26H,6-9H2,1-5H3/t11-,13+,15?,16+,17-,18-,19?,20-/m0/s1", "name": "Cinncassiol C3", "names": [ "Cinncassiol C3" ] }, { "compound_id": "C17642", "inchi": "InChI=1S/C20H28O6/c1-10(2)12-8-13(21)16(4)9-19(25)17(12,5)15(23)20(26-19)14(22)11(3)6-7-18(16,20)24/h8,10-11,14,22,24-25H,6-7,9H2,1-5H3/t11-,14+,16?,17-,18-,19?,20-/m0/s1", "name": "Cinncassiol C2", "names": [ "Cinncassiol C2" ] }, { "compound_id": "C17643", "inchi": "InChI=1S/C20H28O7/c1-10-5-6-18(25)16(3)9-19(26)17(4,12(7-13(16)22)11(2)8-21)15(24)20(18,27-19)14(10)23/h7,10-11,14,21,23,25-26H,5-6,8-9H2,1-4H3/t10-,11-,14+,16?,17-,18-,19?,20-/m0/s1", "name": "Cinncassiol C1", "names": [ "Cinncassiol C1" ] }, { "compound_id": "C17644", "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1", "name": "Ursocholate", "names": [ "3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid", "3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid", "7-Epicholic acid", "7beta-Hydroxyisocholic acid", "Ursocholate", "Ursocholic acid" ] }, { "compound_id": "C17645", "inchi": "InChI=1S/C20H30O7/c1-10-5-6-17(24)16(4)8-14(22)27-20(17,15(10)23)19(26)12(3)13(11(2)9-21)7-18(16,19)25/h10-11,15,21,23-26H,5-9H2,1-4H3/t10-,11?,15+,16-,17-,18+,19+,20+/m0/s1", "name": "Cinncassiol A", "names": [ "Cinncassiol A" ] }, { "compound_id": "C17646", "inchi": "InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21-,23+,24-/m1/s1", "name": "12-Epideoxycholic acid", "names": [ "12-Epideoxycholate", "12-Epideoxycholic acid" ] }, { "compound_id": "C17647", "inchi": "InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1", "name": "alpha-Muricholate", "names": [ "3alpha,6beta,7alpha-Trihydroxy-5beta-cholan-24-oic acid", "5beta-Cholanic acid-3alpha,6beta,7alpha-triol", "alpha-Muricholate", "alpha-Muricholic acid" ] }, { "compound_id": "C17649", "inchi": "InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1", "name": "Hyocholate", "names": [ "3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid", "6alpha-Hydroxychenodeoxycholic acid", "Hyocholate", "Hyocholic acid", "Iocholic acid", "alpha-Hyocholic acid", "gamma-Muricholate" ] }, { "compound_id": "C17650", "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20+,22+,23-,24+/m1/s1", "name": "Vulpecholate", "names": [ "1alpha,3alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid", "Vulpecholate", "Vulpecholic acid" ] }, { "compound_id": "C17651", "inchi": "InChI=1S/C24H40O6/c1-12(8-19(27)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(25)9-13(23)10-18(21)26/h12-21,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15-,16+,17+,18-,19-,20+,21+,23+,24-/m1/s1", "name": "alpha-Phocaecholic acid", "names": [ "3alpha,7alpha,12alpha,23R-Tetrahydroxycholanic acid", "alpha-Phocaecholic acid" ] }, { "compound_id": "C17652", "inchi": "InChI=1S/C20H32O5/c1-10(8-21)12-7-13-16(2)9-19(23)18(12,4)20(13,24)15(25-19)14-11(16)5-6-17(14,3)22/h10-15,21-24H,5-9H2,1-4H3/t10-,11-,12-,13-,14+,15+,16-,17-,18+,19?,20+/m0/s1", "name": "Cinncassiol D1", "names": [ "Cinncassiol D1" ] }, { "compound_id": "C17653", "inchi": "InChI=1S/C20H32O6/c1-10(8-21)11-7-12-15(2)9-19(24)17(11,4)20(12,25)14(26-19)13-16(3,22)5-6-18(13,15)23/h10-14,21-25H,5-9H2,1-4H3/t10-,11-,12-,13+,14+,15+,16-,17+,18+,19-,20+/m0/s1", "name": "Cinncassiol D2", "names": [ "Cinncassiol D2" ] }, { "compound_id": "C17654", "inchi": "InChI=1S/C24H40O5/c1-13(10-20(27)22(28)29)16-4-5-17-21-18(7-9-24(16,17)3)23(2)8-6-15(25)11-14(23)12-19(21)26/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20-,21+,23+,24-/m1/s1", "name": "beta-Phocaecholate", "names": [ "(23R)-Hydroxychenodeoxycholate", "beta-Phocaecholate", "beta-Phocaecholic acid" ] }, { "compound_id": "C17655", "inchi": "InChI=1S/C20H32O6/c1-9(7-21)11-5-13-16(3)8-19(24)17(11,4)20(13,25)15(26-19)14-10(2)12(22)6-18(14,16)23/h9-15,21-25H,5-8H2,1-4H3/t9-,10?,11-,12-,13-,14-,15+,16+,17+,18+,19-,20+/m0/s1", "name": "Cinncassiol D3", "names": [ "Cinncassiol D3" ] }, { "compound_id": "C17656", "inchi": "InChI=1S/C20H32O5/c1-9(2)11-6-13-16(4)8-19(23)17(11,5)20(13,24)15(25-19)14-10(3)12(21)7-18(14,16)22/h9-15,21-24H,6-8H2,1-5H3/t10-,11+,12+,13+,14+,15-,16-,17-,18-,19?,20-/m1/s1", "name": "Cinncassiol D4", "names": [ "Cinncassiol D4" ] }, { "compound_id": "C17657", "inchi": "InChI=1S/C24H40O5/c1-13(10-20(26)22(28)29)17-6-7-18-16-5-4-14-11-15(25)8-9-23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1", "name": "Bitocholate", "names": [ "Bitocholate", "Bitocholic acid" ] }, { "compound_id": "C17658", "inchi": "InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1", "name": "Isolithocholate", "names": [ "3-Epilithocholic acid", "3beta-Hydroxy-5beta-cholan-24-oic acid", "Isolithocholate", "Isolithocholic acid", "beta-Lithocholanic acid", "beta-Lithocholic acid" ] }, { "compound_id": "C17659", "inchi": "InChI=1S/C20H30O8/c1-9(2)14-8-16(22)12(4)11(14)18(24)13(5,27-14)19(16,25)20(26,28-18)17(23)10(3)6-7-15(12,17)21/h9-11,21-26H,6-8H2,1-5H3/t10-,11+,12+,13-,14-,15?,16?,17+,18+,19-,20-/m1/s1", "name": "Cinncassiol E", "names": [ "Cinncassiol E" ] }, { "compound_id": "C17660", "inchi": "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1", "name": "Isochenodeoxycholate", "names": [ "3beta,7alpha-Dihydroxy-5beta-cholanic acid", "Isochenodeoxycholate", "Isochenodeoxycholic acid" ] }, { "compound_id": "C17661", "inchi": "InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1", "name": "Isodeoxycholate", "names": [ "7alpha,12alpha-Dihydroxy-5beta-cholanic acid", "7alpha,12alpha-Dihydroxycholanoic acid", "Isodeoxycholate", "Isodeoxycholic acid" ] }, { "compound_id": "C17662", "inchi": "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1", "name": "Isoursodeoxycholate", "names": [ "3beta,7beta-Dihydroxy-5beta-cholan-24-oic acid", "3beta,7beta-Dihydroxy-5beta-cholanoic acid", "Isoursodeoxycholate", "Isoursodeoxycholic acid" ] }, { "compound_id": "C17663", "inchi": "InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3", "name": "3-Phenylpropyl acetate", "names": [ "3-Phenylpropyl acetate", "Hydrocinnamyl acetate" ] }, { "compound_id": "C17664", "inchi": "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1", "name": "Allochenodeoxycholate", "names": [ "3alpha,7alpha-Dihydroxy-5alpha-cholanoic acid", "Allochenodeoxycholate", "Allochenodeoxycholic acid" ] }, { "compound_id": "C17665", "inchi": "InChI=1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3", "name": "2-Phenylpropyl acetate", "names": [ "2-Phenylpropyl acetate" ] }, { "compound_id": "C17666", "inchi": "InChI=1S/C11H14O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3", "name": "1-Phenylpropyl acetate", "names": [ "1-Phenylpropyl acetate", "\\)-1-Phenyl-1-propyl acetate", "\\)-1-phenyl-1-propyl acetate" ] }, { "compound_id": "C17667", "inchi": "InChI=1S/C24H40O5/c1-13(4-5-20(28)29)22-19(27)12-17-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18-,19-,21-,22+,23+,24+/m1/s1", "name": "Avicholate", "names": [ "Avicholate", "Avicholic acid" ] }, { "compound_id": "C17668", "inchi": "InChI=1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19-,20+,22-,23-,24+/m0/s1", "name": "Haemulcholate", "names": [ "3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic acid", "Haemulcholate", "Hemulcholic acid" ] }, { "compound_id": "C17669", "inchi": "InChI=1S/C19H18O7/c1-8-6-9-12(18(25-4)14(8)20)16(22)13-10(15(9)21)7-11(23-2)17(24-3)19(13)26-5/h6-7,20H,1-5H3", "name": "Chryso-obtusin", "names": [ "Chryso-obtusin" ] }, { "compound_id": "C17670", "inchi": "InChI=1S/C17H14O7/c1-6-4-7-11(17(24-3)12(6)19)14(21)10-8(13(7)20)5-9(18)16(23-2)15(10)22/h4-5,18-19,22H,1-3H3", "name": "Aurantio-obtusin", "names": [ "Aurantio-obtusin" ] }, { "compound_id": "C17671", "inchi": "InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,15,17-18H,1H3", "name": "Norrubrofusarin", "names": [ "Norrubrofusarin" ] }, { "compound_id": "C17672", "inchi": "InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3", "name": "Torachrysone", "names": [ "Torachrysone" ] }, { "compound_id": "C17673", "inchi": "InChI=1S/C15H12O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h3-6,16-17H,1-2H3", "name": "Toralactone", "names": [ "Toralactone" ] }, { "compound_id": "C17674", "inchi": "InChI=1S/C39H52O25/c1-11-3-14(42)22-15(58-11)5-12-4-13(55-2)6-16(21(12)27(22)47)59-38-32(52)29(49)24(44)19(62-38)10-57-37-34(54)35(26(46)18(8-41)61-37)64-39-33(53)30(50)25(45)20(63-39)9-56-36-31(51)28(48)23(43)17(7-40)60-36/h3-6,17-20,23-26,28-41,43-54H,7-10H2,1-2H3/t17-,18-,19-,20-,23-,24-,25-,26-,28+,29+,30+,31-,32-,33-,34-,35?,36-,37-,38-,39?/m1/s1", "name": "Cassiaside B2", "names": [ "Cassiaside B2" ] }, { "compound_id": "C17675", "inchi": "InChI=1S/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2/t12-,14+,17+,18-,19+,21-/m0/s1", "name": "Neocarthamin", "names": [ "Neocarthamin" ] }, { "compound_id": "C17676", "inchi": "InChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11-,12-,14-,15-/m1/s1", "name": "Cryptomeridiol", "names": [ "Cryptomeridiol", "Proximadiol" ] }, { "compound_id": "C17678", "inchi": "InChI=1S/C29H36O15/c1-13-22(36)24(38)25(39)28(41-13)44-27-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)11-15/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+", "name": "Magnoloside A", "names": [ "Magnoloside A" ] }, { "compound_id": "C17679", "inchi": "InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+", "name": "Magnoloside B", "names": [ "Magnoloside B" ] }, { "compound_id": "C17680", "inchi": "InChI=1S/C41H56O25/c1-15-26(49)29(52)32(55)39(60-15)66-37-36(64-25(48)7-4-16-2-5-18(44)20(46)10-16)28(51)24(63-41(37)58-9-8-17-3-6-19(45)21(47)11-17)14-59-38-34(57)31(54)35(23(13-43)62-38)65-40-33(56)30(53)27(50)22(12-42)61-40/h2-7,10-11,15,22-24,26-47,49-57H,8-9,12-14H2,1H3/b7-4+", "name": "Magnoloside C", "names": [ "Magnoloside C" ] }, { "compound_id": "C17682", "inchi": "InChI=1S/C42H46O12/c1-46-32-10-7-24(17-35(32)47-2)13-28-22-52-41(44)30(28)15-25-8-11-33(36(18-25)48-3)54-34-12-9-26(19-37(34)49-4)16-31-29(23-53-42(31)45)14-27-20-38(50-5)40(43)39(21-27)51-6/h7-12,17-21,28-31,43H,13-16,22-23H2,1-6H3", "name": "Neoarctin A", "names": [ "Neoarctin A" ] }, { "compound_id": "C17683", "inchi": "InChI=1S/C42H46O12/c1-47-33-15-23(11-27-21-53-41(45)31(27)13-25-17-35(49-3)39(43)36(18-25)50-4)7-9-29(33)30-10-8-24(16-34(30)48-2)12-28-22-54-42(46)32(28)14-26-19-37(51-5)40(44)38(20-26)52-6/h7-10,15-20,27-28,31-32,43-44H,11-14,21-22H2,1-6H3", "name": "Neoarctin B", "names": [ "Neoarctin B" ] }, { "compound_id": "C17684", "inchi": "InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)9-20-19(15-38-30(20)34)8-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3/t19-,20+,22-,28+/m0/s1", "name": "Lappaol A", "names": [ "Lappaol A" ] }, { "compound_id": "C17685", "inchi": "InChI=1S/C31H34O9/c1-35-25-8-5-17(12-27(25)37-3)9-20-16-39-31(34)21(20)10-18-11-22-23(15-32)29(40-30(22)28(13-18)38-4)19-6-7-24(33)26(14-19)36-2/h5-8,11-14,20-21,23,29,32-33H,9-10,15-16H2,1-4H3/t20-,21+,23-,29+/m0/s1", "name": "Lappaol B", "names": [ "Lappaol B" ] }, { "compound_id": "C17686", "inchi": "InChI=1S/C30H34O10/c1-37-25-11-16(4-6-23(25)32)9-20-19(15-40-30(20)36)8-17-10-21(29(35)27(12-17)39-3)22(14-31)28(34)18-5-7-24(33)26(13-18)38-2/h4-7,10-13,19-20,22,28,31-35H,8-9,14-15H2,1-3H3/t19-,20+,22?,28?/m0/s1", "name": "Lappaol C", "names": [ "Lappaol C" ] }, { "compound_id": "C17687", "inchi": "InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1", "name": "Allodeoxycholate", "names": [ "3alpha,12alpha-Dihydroxy-5alpha-cholanoic acid", "5alpha-Deoxycholic acid", "Allodeoxycholate" ] }, { "compound_id": "C17689", "inchi": "InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24-,25+,26-,27?,28?,29?,30+,31-,34?,36-,37-,38?,42-,44+,45-/m1/s1", "name": "Ursodeoxycholoyl-CoA", "names": [ "3alpha,7beta-Dihydroxy-5beta-cholanoyl-CoA", "Ursodeoxycholoyl-CoA" ] }, { "compound_id": "C17690", "inchi": "InChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3", "name": "4-(4-Hydroxyphenyl)-2-butanol", "names": [ "4-(4-Hydroxyphenyl)-2-butanol", "4-HPB", "Betuligenol", "Rhododendrol" ] }, { "compound_id": "C17691", "inchi": "InChI=1/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5-,6+,7-/m1/s1", "name": "2-epi-5-epi-Valiolone", "names": [ "2-epi-5-epi-Valiolone" ] }, { "compound_id": "C17692", "inchi": "InChI=1/C7H13O9P/c8-3-1-7(12,2-16-17(13,14)15)6(11)5(10)4(3)9/h4-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5-,6+,7-/m1/s1/f/h13-14H", "name": "2-epi-5-epi-Valiolone 7-phosphate", "names": [ "2-epi-5-epi-Valiolone 7-phosphate" ] }, { "compound_id": "C17693", "inchi": "InChI=1/C7H13O9P/c8-3-1-7(12,2-16-17(13,14)15)6(11)5(10)4(3)9/h4-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5+,6-,7+/m0/s1/f/h13-14H", "name": "5-epi-Valiolone 7-phosphate", "names": [ "5-epi-Valiolone 7-phosphate" ] }, { "compound_id": "C17694", "inchi": "InChI=1/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5+,6-,7+/m0/s1", "name": "5-epi-Valiolone", "names": [ "5-epi-Valiolone" ] }, { "compound_id": "C17701", "inchi": "InChI=1S/C17H33N3O11/c18-4-1-5(19)15(31-17-12(26)9(23)6(22)3-28-17)13(27)14(4)30-16-8(20)11(25)10(24)7(2-21)29-16/h4-17,21-27H,1-3,18-20H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+,13-,14+,15-,16+,17+/m0/s1", "name": "Gentamicin A2", "names": [ "Gentamicin A2" ] }, { "compound_id": "C17702", "inchi": "InChI=1S/C19H38N4O10/c1-19(29)5-30-18(13(28)16(19)23-2)33-15-7(21)3-6(20)14(12(15)27)32-17-9(22)11(26)10(25)8(4-24)31-17/h6-18,23-29H,3-5,20-22H2,1-2H3/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1", "name": "Gentamicin X2", "names": [ "Gentamicin X2" ] }, { "compound_id": "C17703", "inchi": "InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1", "name": "Antibiotic G-418", "names": [ "Antibiotic G-418", "G418", "Geneticin" ] }, { "compound_id": "C17704", "inchi": "InChI=1S/C19H39N5O9/c1-19(29)5-30-18(13(28)16(19)24-2)33-15-7(22)3-6(21)14(12(15)27)32-17-9(23)11(26)10(25)8(4-20)31-17/h6-18,24-29H,3-5,20-23H2,1-2H3/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1", "name": "Antibiotic JI-20A", "names": [ "Antibiotic JI-20A", "JI-20A" ] }, { "compound_id": "C17705", "inchi": "InChI=1S/C20H41N5O9/c1-6(21)14-11(27)10(26)9(24)18(32-14)33-15-7(22)4-8(23)16(12(15)28)34-19-13(29)17(25-3)20(2,30)5-31-19/h6-19,25-30H,4-5,21-24H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1", "name": "Antibiotic JI-20B", "names": [ "Antibiotic JI-20B", "JI-20B" ] }, { "compound_id": "C17706", "inchi": "InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1", "name": "Gentamicin C2b", "names": [ "Gentamicin C2b", "Sagamicin" ] }, { "compound_id": "C17707", "inchi": "InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1", "name": "Lividomycin A", "names": [ "Lividomycin A" ] }, { "compound_id": "C17708", "inchi": "InChI=1S/C17H35N5O6/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3/t7-,8+,9-,11-,12-,13-,14+,15+,16+,17+/m0/s1", "name": "Fortimicin A", "names": [ "Astromicin", "Fortimicin A" ] }, { "compound_id": "C17709", "inchi": "InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6-,7+,8-,9-,10-,11-,12+,13+,14+,15+/m0/s1", "name": "Fortimicin B", "names": [ "Fortimicin B" ] }, { "compound_id": "C17710", "inchi": "InChI=1S/C17H35N5O5/c1-21-8-9-4-5-10(19)17(26-9)27-16-11(20)6-12(25-3)14(15(16)24)22(2)13(23)7-18/h9-12,14-17,21,24H,4-8,18-20H2,1-3H3/t9-,10+,11-,12-,14+,15+,16+,17+/m0/s1", "name": "Sannamycin A", "names": [ "Istamycin A", "Sannamycin A" ] }, { "compound_id": "C17711", "inchi": "InChI=1S/C15H32N4O4/c1-18-7-8-4-5-9(16)15(22-8)23-14-10(17)6-11(21-3)12(19-2)13(14)20/h8-15,18-20H,4-7,16-17H2,1-3H3/t8-,9+,10-,11-,12+,13+,14+,15+/m0/s1", "name": "Sannamycin B", "names": [ "Istamycin A0", "Sannamycin B" ] }, { "compound_id": "C17712", "inchi": "InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", "name": "Paromomycin II", "names": [ "Neomycin F", "Paromomycin II" ] }, { "compound_id": "C17713", "inchi": null, "name": "dl-alpha-Tocopheryl sodium phosphate", "names": [ "dl-alpha-Tocopheryl sodium phosphate" ] }, { "compound_id": "C17714", "inchi": "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)", "name": "Heptanoic acid", "names": [ "Heptanoate", "Heptanoic acid", "heptanoate" ] }, { "compound_id": "C17715", "inchi": "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)", "name": "Undecanoic acid", "names": [ "Hendecanoic acid", "Undecanoic acid" ] }, { "compound_id": "C17716", "inchi": "InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,10-11,17-18H,1-2,5-9,12H2/b11-10-/t17-/m1/s1", "name": "Dehydrofalcarinol", "names": [ "Dehydrofalcarinol" ] }, { "compound_id": "C17717", "inchi": "InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,8H2", "name": "5-Phenyl-1,3-pentadiyne", "names": [ "5-Phenyl-1,3-pentadiyne" ] }, { "compound_id": "C17718", "inchi": "InChI=1/C10H11N3O3S.Na/c1-7-6-16-12-10(7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3,(H,12,13);/f/h13H;", "name": "Sulfamethoxazole sodium", "names": [ "Sulfamethoxazole sodium" ] }, { "compound_id": "C17719", "inchi": "InChI=1S/C10H20N6O12/c17-13(18)25-7-3-11(4-8-26-14(19)20)1-2-12(5-9-27-15(21)22)6-10-28-16(23)24/h1-10H2", "name": "Tenitramine", "names": [ "Tenitramine" ] }, { "compound_id": "C17720", "inchi": "InChI=1S/C19H16N2O/c22-19(21-18-8-4-5-13-20-18)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,20,21,22)", "name": "Difenpiramide", "names": [ "Difenpiramide" ] }, { "compound_id": "C17721", "inchi": "InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2", "name": "Vinyl ether", "names": [ "Vinyl ether" ] }, { "compound_id": "C17722", "inchi": "InChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)", "name": "Narcobarbital", "names": [ "Narcobarbital" ] }, { "compound_id": "C17723", "inchi": "InChI=1S/C13H20N2O2/c1-10(2)9-15-6-7-17-13(16)11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9,14H2,1-2H3", "name": "Metabutethamine", "names": [ "Metabutethamine" ] }, { "compound_id": "C17724", "inchi": "InChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3", "name": "Ethadione", "names": [ "Ethadione" ] }, { "compound_id": "C17725", "inchi": "InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)", "name": "Heptabarbital", "names": [ "Heptabarbital" ] }, { "compound_id": "C17726", "inchi": "InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1", "name": "beta-Muricholate", "names": [ "3alpha,6beta,7beta-Trihydroxy-5beta-cholan-24-oic acid", "5beta-Cholanic acid-3alpha,6beta,7beta-triol", "beta-Muricholate", "beta-Muricholic acid" ] }, { "compound_id": "C17727", "inchi": "InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22-,23-,24-/m1/s1", "name": "omega-Muricholate", "names": [ "omega-Muricholate", "omega-Muricholic acid" ] }, { "compound_id": "C17728", "inchi": "InChI=1S/C24H29N3O4/c1-30-20-10-6-18(7-11-20)24(19-8-12-21(31-2)13-9-19)22(28)27(23(29)25-24)17-16-26-14-4-3-5-15-26/h6-13H,3-5,14-17H2,1-2H3,(H,25,29)", "name": "Idanpramine", "names": [ "Idanpramine" ] }, { "compound_id": "C17729", "inchi": "InChI=1S/C20H18N2O/c23-20(18-12-7-13-21-15-18)22-19(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-13,15,19H,14H2,(H,22,23)", "name": "Nicofetamide", "names": [ "N-(1,2-Diphenylethyl)nicotinamide", "Nicofetamide" ] }, { "compound_id": "C17730", "inchi": "InChI=1S/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12)", "name": "Piperidione", "names": [ "3,3-Diethyl-2,4-dioxopiperidine", "Piperidione" ] }, { "compound_id": "C17731", "inchi": "InChI=1S/C20H23N7O7.Na/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+1/p-1/t12?,13-;/m0./s1", "name": "Sodium folinate", "names": [ "Sodium folinate" ] }, { "compound_id": "C17732", "inchi": "InChI=1S/Mg.O2/c;1-2/q+2;-2", "name": "Magnesium peroxide", "names": [ "Magnesium peroxide" ] }, { "compound_id": "C17733", "inchi": "InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18-,19?,20?,21?,22?,23?,24+,25+,27+,28+/m0/s1", "name": "7-Oxateasterone", "names": [ "(22R,23R,24S)-3beta,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one", "7-Oxateasterone" ] }, { "compound_id": "C17734", "inchi": "InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1", "name": "Acetoxolone", "names": [ "Acetoxolone", "Acetylglycyrrhetinic acid" ] }, { "compound_id": "C17735", "inchi": "InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19?,20?,21?,22?,23?,24+,25+,27+,28+/m0/s1", "name": "7-Oxatyphasterol", "names": [ "(22R,23R,24S)-3alpha,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one", "7-Oxatyphasterol" ] }, { "compound_id": "C17737", "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1", "name": "Allocholic acid", "names": [ "3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholanoic acid", "Allocholate", "Allocholic acid" ] }, { "compound_id": "C17740", "inchi": "InChI=1S/C32H44N7O19P3S/c1-32(2,27(45)30(46)35-10-9-22(42)34-11-12-62-23(43)13-20(41)8-5-18-3-6-19(40)7-4-18)15-55-61(52,53)58-60(50,51)54-14-21-26(57-59(47,48)49)25(44)31(56-21)39-17-38-24-28(33)36-16-37-29(24)39/h3-8,16-17,21,25-27,31,40,44-45H,9-15H2,1-2H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b8-5+/t21-,25-,26-,27?,31-/m1/s1", "name": "p-Coumaroyl-diketide-CoA", "names": [ "p-Coumaroyl-diketide-CoA" ] }, { "compound_id": "C17741", "inchi": "InChI=1S/C33H46N7O20P3S/c1-33(2,28(46)31(47)36-9-8-23(43)35-10-11-64-24(44)13-19(41)6-4-18-5-7-20(42)21(12-18)55-3)15-57-63(53,54)60-62(51,52)56-14-22-27(59-61(48,49)50)26(45)32(58-22)40-17-39-25-29(34)37-16-38-30(25)40/h4-7,12,16-17,22,26-28,32,42,45-46H,8-11,13-15H2,1-3H3,(H,35,43)(H,36,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/b6-4+/t22-,26-,27-,28?,32-/m1/s1", "name": "Feruloyl-diketide-CoA", "names": [ "Feruloyl-diketide-CoA" ] }, { "compound_id": "C17742", "inchi": "InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-13,21,23-24H,1H3/b9-4+,10-5+,18-13-", "name": "Demethoxycurcumin", "names": [ "Demethoxycurcumin" ] }, { "compound_id": "C17743", "inchi": "InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-13,20-22H/b11-5+,12-6+,18-13-", "name": "Bisdemethoxycurcumin", "names": [ "Bisdemethoxycurcumin" ] }, { "compound_id": "C17744", "inchi": "InChI=1S/C16H20O3/c1-2-3-4-5-15(18)12-16(19)11-8-13-6-9-14(17)10-7-13/h6-12,17-18H,2-5H2,1H3/b11-8+,15-12-", "name": "1-(4-Hydroxyphenyl)-1-decene-3,5-dione", "names": [ "1-(4-Hydroxyphenyl)-1-decene-3,5-dione" ] }, { "compound_id": "C17745", "inchi": "InChI=1S/C16H20O4/c1-2-3-4-5-13(17)11-14(18)8-6-12-7-9-15(19)16(20)10-12/h6-11,17,19-20H,2-5H2,1H3/b8-6+,13-11-", "name": "1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione", "names": [ "1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione" ] }, { "compound_id": "C17746", "inchi": "InChI=1S/C17H22O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h7-12,18,20H,3-6H2,1-2H3/b9-7+,14-12-", "name": "1-Dehydro-[6]-gingerdione", "names": [ "1-Dehydro-[6]-gingerdione" ] }, { "compound_id": "C17747", "inchi": "InChI=1S/C16H24O3/c1-2-3-4-5-15(18)12-16(19)11-8-13-6-9-14(17)10-7-13/h6-7,9-10,15,17-18H,2-5,8,11-12H2,1H3", "name": "5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone", "names": [ "5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone" ] }, { "compound_id": "C17748", "inchi": "InChI=1S/C16H24O4/c1-2-3-4-5-13(17)11-14(18)8-6-12-7-9-15(19)16(20)10-12/h7,9-10,13,17,19-20H,2-6,8,11H2,1H3", "name": "1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone", "names": [ "1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone" ] }, { "compound_id": "C17749", "inchi": "InChI=1S/C27H30O11/c1-35-21-11-15(5-9-19(21)31)3-7-17(29)13-18(30)8-4-16-6-10-20(22(12-16)36-2)37-27-26(34)25(33)24(32)23(14-28)38-27/h3-13,23-29,31-34H,14H2,1-2H3/b7-3+,8-4+,17-13-/t23-,24-,25+,26-,27-/m1/s1", "name": "Curcumin monoglucoside", "names": [ "Curcumin monoglucoside" ] }, { "compound_id": "C17750", "inchi": "InChI=1S/C33H40O16/c1-44-22-11-16(5-9-20(22)46-32-30(42)28(40)26(38)24(14-34)48-32)3-7-18(36)13-19(37)8-4-17-6-10-21(23(12-17)45-2)47-33-31(43)29(41)27(39)25(15-35)49-33/h3-13,24-36,38-43H,14-15H2,1-2H3/b7-3+,8-4+,18-13-/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1", "name": "Curcumin diglucoside", "names": [ "Curcumin diglucoside" ] }, { "compound_id": "C17751", "inchi": "InChI=1S/C15H19NO9/c17-4-10-11(19)12(20)13(21)15(25-10)24-9-2-5-1-7(14(22)23)16-6(5)3-8(9)18/h2-3,7,10-13,15-21H,1,4H2,(H,22,23)/t7-,10+,11+,12-,13+,15+/m0/s1", "name": "cyclo-Dopa 5-O-glucoside", "names": [ "cyclo-Dopa 5-O-glucoside" ] }, { "compound_id": "C17752", "inchi": "InChI=1S/C21H27NO15/c23-4-10-11(25)13(27)17(37-20-15(29)12(26)14(28)16(36-20)19(32)33)21(35-10)34-9-2-5-1-7(18(30)31)22-6(5)3-8(9)24/h2-3,7,10-17,20-29H,1,4H2,(H,30,31)(H,32,33)/t7-,10+,11+,12-,13-,14-,15+,16-,17?,20?,21+/m0/s1", "name": "cyclo-Dopa-glucuronylglucoside", "names": [ "cyclo-Dopa-glucuronylglucoside" ] }, { "compound_id": "C17753", "inchi": "InChI=1S/C18H16N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1", "name": "Dopaxanthin quinone", "names": [ "Dopaxanthin quinone" ] }, { "compound_id": "C17754", "inchi": "InChI=1S/C18H20N2O6/c1-26-16-10-11(2-3-15(16)21)4-6-19-7-5-12-8-13(17(22)23)20-14(9-12)18(24)25/h2-3,5,7-8,10,14,20-21H,4,6,9H2,1H3,(H,22,23)(H,24,25)/b12-5-,19-7-/t14-/m0/s1", "name": "3-Methoxytyramine-betaxanthin", "names": [ "3-Methoxytyramine-betaxanthin" ] }, { "compound_id": "C17755", "inchi": "InChI=1S/C8H9NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5H,3-4,9H2", "name": "Dopamine quinone", "names": [ "Dopamine quinone" ] }, { "compound_id": "C17756", "inchi": "InChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9-11H,1-2H2", "name": "2-Descarboxy-cyclo-dopa", "names": [ "2-Descarboxy-cyclo-dopa", "5,6-Indolinediol", "Indoline-5,6-diol" ] }, { "compound_id": "C17757", "inchi": "InChI=1S/C17H16N2O6/c20-14-7-10-2-4-19(13(10)8-15(14)21)3-1-9-5-11(16(22)23)18-12(6-9)17(24)25/h1,3,5,7-8,12H,2,4,6H2,(H4,20,21,22,23,24,25)/p+1/t12-/m0/s1", "name": "2-Descarboxy-betanidin", "names": [ "2-Descarboxy-betanidin" ] }, { "compound_id": "C17758", "inchi": "InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-4+/t6-/m0/s1", "name": "4,5-seco-Dopa", "names": [ "4,5-seco-Dopa" ] }, { "compound_id": "C17759", "inchi": "InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1", "name": "1-O-Feruloyl-beta-D-glucose", "names": [ "1-Feruloyl-D-glucose", "1-O-Feruloyl-beta-D-glucose" ] }, { "compound_id": "C17764", "inchi": "InChI=1S/C30H46O5/c1-25(2)20-8-11-30(7)23(27(20,4)10-9-21(25)32)19(31)14-17-18-15-28(5,24(34)35)22(33)16-26(18,3)12-13-29(17,30)6/h14,18,20-23,32-33H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,20-,21-,22+,23+,26-,27-,28-,29+,30+/m0/s1", "name": "Glabric acid", "names": [ "Glabric acid" ] }, { "compound_id": "C17765", "inchi": "InChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3", "name": "Licoricone", "names": [ "Licoricone" ] }, { "compound_id": "C17770", "inchi": "InChI=1S/C21H34O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,12,14-16,22-27H,5-11H2,1-3H3/t12-,14-,15+,16+,17-,18+,19+,20-,21+/m0/s1", "name": "Sarcostin", "names": [ "Sarcostin" ] }, { "compound_id": "C17771", "inchi": "InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1", "name": "Lithospermoside", "names": [ "Griffonin", "Lithospermoside" ] }, { "compound_id": "C17772", "inchi": "InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2/t24-,26-,27-,29+/m0/s1", "name": "Gambiriin A1", "names": [ "Gambiriin A1" ] }, { "compound_id": "C17773", "inchi": "InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2/t24-,26-,27-,29-/m0/s1", "name": "Gambiriin A2", "names": [ "Gambiriin A2" ] }, { "compound_id": "C17774", "inchi": "InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-23(38)27(12-1-3-17(32)21(36)5-12)28-24(39)11-26-16(29(28)41)10-25(40)30(42-26)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-41H,9-10H2/t23-,25-,27-,30+/m0/s1", "name": "Gambiriin A3", "names": [ "Gambiriin A3" ] }, { "compound_id": "C17775", "inchi": "InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)22(37)5-12)28-26(40-25)11-21(36)16-9-24(39)29(41-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24-25,27,29,31-39H,9-10H2/t24-,25-,27-,29+/m0/s1", "name": "Gambiriin B1", "names": [ "Gambiriin B1" ] }, { "compound_id": "C17776", "inchi": "InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)22(37)5-12)28-26(40-25)11-21(36)16-9-24(39)29(41-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24-25,27,29,31-39H,9-10H2/t24-,25-,27-,29-/m0/s1", "name": "Gambiriin B2", "names": [ "Gambiriin B2" ] }, { "compound_id": "C17777", "inchi": "InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)21(36)5-12)28-26(40-25)11-24-16(29(28)39)9-23(38)30(41-24)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-39H,9-10H2/t23-,25+,27-,30+/m0/s1", "name": "Gambiriin B3", "names": [ "Gambiriin B3" ] }, { "compound_id": "C17778", "inchi": "InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1", "name": "Isobarbaloin", "names": [ "Aloin B", "Isobarbaloin" ] }, { "compound_id": "C17779", "inchi": "InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16-,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1", "name": "Aloinoside A", "names": [ "Aloinoside A" ] }, { "compound_id": "C17780", "inchi": "InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1", "name": "Aloinoside B", "names": [ "Aloinoside B" ] }, { "compound_id": "C17781", "inchi": "InChI=1S/C28H28O11/c1-13-9-18(32)23(26-22(13)19(33)11-17(37-26)10-14(2)30)27-28(25(36)24(35)20(12-29)38-27)39-21(34)8-5-15-3-6-16(31)7-4-15/h3-9,11,20,24-25,27-29,31-32,35-36H,10,12H2,1-2H3/b8-5+/t20-,24-,25+,27+,28-/m1/s1", "name": "2''-o-p-Coumaroylaloesin", "names": [ "2''-o-p-Coumaroylaloesin" ] }, { "compound_id": "C17782", "inchi": "InChI=1S/C11H14O2/c1-4-5-9-6-10(12-2)8-11(7-9)13-3/h4,6-8H,1,5H2,2-3H3", "name": "3,5-Dimethoxyallylbenzene", "names": [ "3,5-Dimethoxyallylbenzene" ] }, { "compound_id": "C17783", "inchi": "InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-4,8-9,11,13H,7,10H2,1H3", "name": "Capillanol", "names": [ "Capillanol" ] }, { "compound_id": "C17784", "inchi": "InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3", "name": "4'-Methylcapillarisin", "names": [ "4'-Methylcapillarisin", "5,7-Dihydroxy-4',6-dimethoxyflavone" ] }, { "compound_id": "C17785", "inchi": "InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3", "name": "7-Methylcapillarisin", "names": [ "7-Methylcapillarisin", "Cirsimaritin", "Scrophulein" ] }, { "compound_id": "C17786", "inchi": "InChI=1S/C15H10O6/c16-8-1-3-10(4-2-8)20-14-7-12(19)15-11(18)5-9(17)6-13(15)21-14/h1-7,16-18H", "name": "6-Demethoxycapillarisin", "names": [ "6-Demethoxycapillarisin" ] }, { "compound_id": "C17787", "inchi": "InChI=1S/C18H16O8/c1-23-13-4-8(9(19)5-10(13)20)12-6-11(21)16-14(26-12)7-15(24-2)18(25-3)17(16)22/h4-7,19-20,22H,1-3H3", "name": "Arcapillin", "names": [ "Arcapillin" ] }, { "compound_id": "C17788", "inchi": "InChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)17(11)24-2)13(20)15(22)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-19,21-22H,1-2H3", "name": "Eupatolitin", "names": [ "Eupatolitin" ] }, { "compound_id": "C17789", "inchi": "InChI=1S/C19H24O4/c1-13(2)4-7-16-10-15(6-9-18(21)22)11-17(19(16)23)8-5-14(3)12-20/h4-6,9-11,20,23H,7-8,12H2,1-3H3,(H,21,22)/b9-6+,14-5+", "name": "Capillartemisin A", "names": [ "Capillartemisin A" ] }, { "compound_id": "C17790", "inchi": "InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1", "name": "Dehydrocorydaline", "names": [ "Dehydrocorydaline" ] }, { "compound_id": "C17795", "inchi": "InChI=1S/C19H24O4/c1-13(2)4-7-16-10-15(6-9-18(21)22)11-17(19(16)23)8-5-14(3)12-20/h4-6,9-11,20,23H,7-8,12H2,1-3H3,(H,21,22)/b9-6+,14-5-", "name": "Capillartemisin B", "names": [ "Capillartemisin B" ] }, { "compound_id": "C17796", "inchi": "InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,1H3", "name": "Norcapillene", "names": [ "Norcapillene" ] }, { "compound_id": "C17803", "inchi": "InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3", "name": "Dimethyl suberate", "names": [ "Dimethyl suberate", "Octanedioic acid dimethyl" ] }, { "compound_id": "C17808", "inchi": "InChI=1S/C20H22O6/c1-23-17-5-3-11(7-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-18(24-2)16(22)8-12/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1", "name": "Clemaphenol A", "names": [ "Clemaphenol A" ] }, { "compound_id": "C17809", "inchi": "InChI=1S/C21H22O9/c1-8-3-11-12(4-9(8)2)28-13-5-10(23)6-14(16(13)17(11)24)29-21-20(27)19(26)18(25)15(7-22)30-21/h3-6,15,18-23,25-27H,7H2,1-2H3/t15-,18-,19+,20-,21-/m1/s1", "name": "Polygonimitin B", "names": [ "Polygonimitin B" ] }, { "compound_id": "C17810", "inchi": "InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2", "name": "Citreorosein", "names": [ "Citreorosein", "omega-Hydroxyemodin" ] }, { "compound_id": "C17811", "inchi": "InChI=1S/C16H12O6/c1-22-12-5-8(18)4-10-14(12)16(21)13-9(15(10)20)2-7(6-17)3-11(13)19/h2-5,17-19H,6H2,1H3", "name": "Questinol", "names": [ "1,6-Dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-anthracenedione", "Questinol" ] }, { "compound_id": "C17812", "inchi": "InChI=1S/C31H36O10/c1-37-25-8-5-17(12-27(25)39-3)9-20-16-41-31(36)21(20)10-18-11-22(30(35)28(13-18)40-4)23(15-32)29(34)19-6-7-24(33)26(14-19)38-2/h5-8,11-14,20-21,23,29,32-35H,9-10,15-16H2,1-4H3", "name": "Lappaol D", "names": [ "Lappaol D" ] }, { "compound_id": "C17813", "inchi": null, "name": "Activin A", "names": [ "Activin A" ] }, { "compound_id": "C17814", "inchi": "InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26-,28-/m0/s1", "name": "Gomisin B", "names": [ "Gomisin B", "Schisantherin B" ] }, { "compound_id": "C17821", "inchi": "InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3", "name": "2,4,5-Trimethoxy-1-allylbenzene", "names": [ "2,4,5-Trimethoxy-1-allylbenzene", "gamma-Asarone" ] }, { "compound_id": "C17822", "inchi": "InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3", "name": "3,4,5-Trimethoxytoluene", "names": [ "3,4,5-Trimethoxytoluene" ] }, { "compound_id": "C17823", "inchi": "InChI=1S/C10H14O3/c1-7-5-9(12-3)10(13-4)6-8(7)11-2/h5-6H,1-4H3", "name": "2,4,5-Trimethoxytoluene", "names": [ "2,4,5-Trimethoxytoluene" ] }, { "compound_id": "C17824", "inchi": "InChI=1S/C10H14O2/c1-5-4-6(11)7-8(9(5)12)10(7,2)3/h4,6-8,11H,1-3H3/t6-,7+,8+/m1/s1", "name": "(+/-)-Asarinol A", "names": [ "(+/-)-Asarinol A" ] }, { "compound_id": "C17825", "inchi": "InChI=1S/C10H14O3/c1-9(2)4-5(9)7(11)10(3,12)8-6(4)13-8/h4-6,8,12H,1-3H3/t4-,5+,6+,8+,10-/m1/s1", "name": "(+/-)-Asarinol B", "names": [ "(+/-)-Asarinol B" ] }, { "compound_id": "C17826", "inchi": "InChI=1S/C21H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16,22,24-25H,3-4,7-8,13H2,1-2H3", "name": "Hexahydrocurcumin", "names": [ "Hexahydrocurcumin" ] }, { "compound_id": "C17827", "inchi": "InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+", "name": "Hydroxy-gamma-sanshool", "names": [ "Hydroxy-gamma-sanshool" ] }, { "compound_id": "C17834", "inchi": "InChI=1S/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)22(35)19(14)26-27(24(37)21(34)16(8-29)41-26)43-28-25(38)23(36)20(33)17(9-30)42-28/h2-7,16-17,20-21,23-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1", "name": "Spinosin", "names": [ "Spinosin" ] }, { "compound_id": "C17840", "inchi": "InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+", "name": "Dehydrozingerone", "names": [ "Dehydrozingerone" ] }, { "compound_id": "C17843", "inchi": "InChI=1S/C12H8O4/c1-6-4-8(13)11-10(16-6)5-9-7(12(11)14)2-3-15-9/h2-5,14H,1H3", "name": "Norvisnagin", "names": [ "Norvisnagin" ] }, { "compound_id": "C17846", "inchi": "InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+", "name": "alpha-Asaron", "names": [ "alpha-Asaron" ] }, { "compound_id": "C17847", "inchi": "InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3/t13-,14-,23+,24+/m1/s1", "name": "Magnosalin", "names": [ "Magnosalin" ] }, { "compound_id": "C17877", "inchi": "InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3", "name": "Dioxation", "names": [ "Dioxation" ] }, { "compound_id": "C17879", "inchi": "InChI=1S/C15H10N2O3/c1-20-14-11-12-9(6-7-16-11)8-4-2-3-5-10(8)17(12)15(19)13(14)18/h2-7,18H,1H3", "name": "Nigakinone", "names": [ "Nigakinone" ] }, { "compound_id": "C17881", "inchi": "InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21+,22+,23-,24+,25+,26-,27+/m1/s1", "name": "Zhebeinine", "names": [ "Zhebeinine" ] }, { "compound_id": "C17883", "inchi": "InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3", "name": "4-Vinylguaiacol", "names": [ "4-Vinylguaiacol" ] }, { "compound_id": "C17890", "inchi": "InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23-,26+,27-,28-,29-,30+/m1/s1", "name": "Euscaphic acid", "names": [ "Euscaphic acid" ] }, { "compound_id": "C17891", "inchi": "InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,25+,26+,27+/m1/s1", "name": "Cryptogenin", "names": [ "Cryptogenin", "Kryptogenin" ] }, { "compound_id": "C17898", "inchi": "InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3", "name": "Sinactine", "names": [ "Sinactine" ] }, { "compound_id": "C17899", "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,10,12-13,22H,6-9H2,1-3H3/t12-,13+,19-/m1/s1", "name": "Isosinomenine", "names": [ "Isosinomenine" ] }, { "compound_id": "C17900", "inchi": "InChI=1S/C8H8O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2/t6-,7-/m1/s1", "name": "Menisdaurilide", "names": [ "Menisdaurilide" ] }, { "compound_id": "C17901", "inchi": "InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22-,23-,24+,25+,27-,28+,29+,30-/m1/s1", "name": "Simiarenol", "names": [ "Simiarenol" ] }, { "compound_id": "C17902", "inchi": "InChI=1S/C11H13NO2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m0/s1", "name": "Ephedroxane", "names": [ "Ephedroxane" ] }, { "compound_id": "C17903", "inchi": "InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11+/m0/s1", "name": "(+)-N-methylpseudoephedrine", "names": [ "(+)-N-methylpseudoephedrine" ] }, { "compound_id": "C17904", "inchi": "InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7-,9-/m0/s1", "name": "alpha-Allokainic acid", "names": [ "alpha-Allokainic acid" ] }, { "compound_id": "C17912", "inchi": "InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12+,13-,14-/m0/s1", "name": "Isozaluzanin C", "names": [ "Isozaluzanin C" ] }, { "compound_id": "C17913", "inchi": "InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5,11-14H,1,3-4,6-7H2,2H3/t11-,12-,13-,14-/m0/s1", "name": "Isodehydrocostus lactone", "names": [ "Isodehydrocostus lactone" ] }, { "compound_id": "C17914", "inchi": "InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1", "name": "Nootkatone", "names": [ "Nootkatone" ] }, { "compound_id": "C17915", "inchi": "InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12,14,16H,1,5-7,9H2,2-4H3/t11-,12-,14+,15+/m1/s1", "name": "Nootkatol", "names": [ "Nootkatol" ] }, { "compound_id": "C17916", "inchi": "InChI=1S/C11H10O3/c1-13-7-3-4-8-9(5-7)11(14-2)6-10(8)12/h3-6H,1-2H3", "name": "Coixinden A", "names": [ "Coixinden A" ] }, { "compound_id": "C17917", "inchi": "InChI=1S/C13H14O4/c1-8(14)13(15)7-12(17-3)10-6-9(16-2)4-5-11(10)13/h4-7,15H,1-3H3", "name": "Coixinden B", "names": [ "Coixinden B" ] }, { "compound_id": "C17918", "inchi": "InChI=1S/C40H44O20/c1-4-21-22-13-14-51-36(49)24(22)16-53-38(21)60-40-34(59-35(48)20-9-6-5-7-10-20)33(54-19(3)43)32(27(57-40)17-52-18(2)42)58-37(50)23-11-8-12-25(28(23)44)55-39-31(47)30(46)29(45)26(15-41)56-39/h4-12,16,21-22,26-27,29-34,38-41,44-47H,1,13-15,17H2,2-3H3/t21-,22+,26-,27-,29-,30+,31-,32-,33+,34-,38+,39-,40+/m1/s1", "name": "Scabraside", "names": [ "Scabraside" ] }, { "compound_id": "C17919", "inchi": "InChI=1S/C35H42O21/c1-5-18-32(49-12-19-31(45)47-10-9-35(18,19)46)56-34-29(51-16(4)39)28(50-15(3)38)27(22(54-34)13-48-14(2)37)55-30(44)17-7-6-8-20(23(17)40)52-33-26(43)25(42)24(41)21(11-36)53-33/h5-8,12,18,21-22,24-29,32-34,36,40-43,46H,1,9-11,13H2,2-4H3/t18-,21+,22+,24+,25-,26+,27+,28-,29+,32-,33+,34-,35+/m0/s1", "name": "Rindoside", "names": [ "Rindoside" ] }, { "compound_id": "C17920", "inchi": "InChI=1S/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-14,16-17H,5-11H2,1-4H3,(H,21,22)/t14-,16+,17-,19-,20-/m1/s1", "name": "Dihydroabietic acid", "names": [ "Dihydroabietic acid" ] }, { "compound_id": "C17921", "inchi": "InChI=1S/C45H72O20/c1-17-11-26(49)45(58-16-17)18(2)27-38(65-45)31(52)28-21-6-5-19-12-20(7-9-43(19,3)22(21)8-10-44(27,28)4)59-40-36(57)34(55)37(25(15-48)62-40)63-42-39(33(54)30(51)24(14-47)61-42)64-41-35(56)32(53)29(50)23(13-46)60-41/h5,17-18,20-42,46-57H,6-16H2,1-4H3", "name": "Scopoloside I", "names": [ "Scopoloside I" ] }, { "compound_id": "C17922", "inchi": "InChI=1S/C39H62O15/c1-16-11-24(42)39(49-15-16)17(2)25-34(54-39)28(44)26-20-6-5-18-12-19(7-9-37(18,3)21(20)8-10-38(25,26)4)50-35-32(48)30(46)33(23(14-41)52-35)53-36-31(47)29(45)27(43)22(13-40)51-36/h5,16-17,19-36,40-48H,6-15H2,1-4H3", "name": "Scopoloside II", "names": [ "Scopoloside II" ] }, { "compound_id": "C17925", "inchi": "InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3", "name": "Nordephrine", "names": [ "Nordephrine", "alpha-Methylnoradrenaline", "alpha-Methylnorepinephrine" ] }, { "compound_id": "C17926", "inchi": "InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2", "name": "2-Pyridinemethanamine", "names": [ "2-Pyridinemethanamine" ] }, { "compound_id": "C17927", "inchi": "InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2", "name": "Thiazolylethylamine", "names": [ "2-(2-Aminoethyl)thiazole", "Thiazolylethylamine" ] }, { "compound_id": "C17928", "inchi": "InChI=1S/C6H11N3/c1-5-8-4-6(9-5)2-3-7/h4H,2-3,7H2,1H3,(H,8,9)", "name": "2-Methylhistamine", "names": [ "2-Methylhistamine" ] }, { "compound_id": "C17929", "inchi": "InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)", "name": "4-Methylhistamine", "names": [ "4-Methylhistamine" ] }, { "compound_id": "C17930", "inchi": "InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)", "name": "Dimaprit", "names": [ "Dimaprit" ] }, { "compound_id": "C17931", "inchi": "InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)", "name": "Imetit", "names": [ "Imetit" ] }, { "compound_id": "C17932", "inchi": "InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)", "name": "Immepip", "names": [ "Immepip" ] }, { "compound_id": "C17933", "inchi": "InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)", "name": "Thioperamide", "names": [ "Thioperamide" ] }, { "compound_id": "C17934", "inchi": "InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)", "name": "Clobenpropit", "names": [ "Clobenpropit" ] }, { "compound_id": "C17935", "inchi": "InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7-/m0/s1", "name": "Cysteinyldopa", "names": [ "5-S-Cysteinyl-DOPA", "Cysteinyldopa" ] }, { "compound_id": "C17936", "inchi": null, "name": "Phaeomelanin", "names": [ "Phaeomelanin" ] }, { "compound_id": "C17937", "inchi": null, "name": "Eumelanin", "names": [ "Eumelanin" ] }, { "compound_id": "C17938", "inchi": "InChI=1S/C9H5NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10H,(H,13,14)", "name": "5,6-Indolequinone-2-carboxylic acid", "names": [ "5,6-Indolequinone-2-carboxylic acid" ] }, { "compound_id": "C17939", "inchi": "InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1", "name": "10-Hydroxycamptothecin", "names": [ "10-Hydroxycamptothecin" ] }, { "compound_id": "C17940", "inchi": "InChI=1S/C16H31N6O7P/c1-9(2)12(17)14(24)21-10(5-3-7-20-16(18)19)13(23)22-11(15(25)26)6-4-8-30(27,28)29/h4,6,9-12H,3,5,7-8,17H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)(H2,27,28,29)/t10-,11-,12?/m0/s1", "name": "Rhizocticin B", "names": [ "Rhizocticin B" ] }, { "compound_id": "C17941", "inchi": "InChI=1S/C4H7O6P/c5-3(4(6)7)1-2-11(8,9)10/h1-2H2,(H,6,7)(H2,8,9,10)", "name": "2-Oxo-4-phosphonobutanoate", "names": [ "2-Oxo-4-phosphonobutanoate", "2-Oxo-4-phosphonobutanoic acid" ] }, { "compound_id": "C17942", "inchi": "InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)", "name": "FR 900098", "names": [ "(3-(Acetylhydroxyamino)propyl)phosphonic acid", "FR 900098" ] }, { "compound_id": "C17943", "inchi": "InChI=1S/CH3O4P/c2-1-6(3,4)5/h1H,(H2,3,4,5)", "name": "Formylphosphonate", "names": [ "Formylphosphonate", "Formylphosphonic acid", "Phosphonoformaldehyde" ] }, { "compound_id": "C17944", "inchi": "InChI=1S/C11H22N5O6P/c12-7(3-1-5-15-11(13)14)9(17)16-8(10(18)19)4-2-6-23(20,21)22/h2,4,7-8H,1,3,5-6,12H2,(H,16,17)(H,18,19)(H4,13,14,15)(H2,20,21,22)/t7-,8-/m0/s1", "name": "Rhizocticin A", "names": [ "Rhizocticin A" ] }, { "compound_id": "C17945", "inchi": "InChI=1S/C10H15N3O12P2/c11-5-1-2-13(9(16)12-5)8-7(15)6(14)4(24-8)3-23-27(21,22)25-26(19,20)10(17)18/h1-2,4,6-8,14-15H,3H2,(H,17,18)(H,19,20)(H,21,22)(H2,11,12,16)/t4-,6-,7-,8-/m1/s1", "name": "Phosphonoformyl-CMP", "names": [ "Phosphonoformyl-CMP" ] }, { "compound_id": "C17946", "inchi": "InChI=1S/C4H5O7P/c5-2(3(6)7)1-12(10,11)4(8)9/h1H2,(H,6,7)(H,8,9)(H,10,11)", "name": "Carboxyphosphonopyruvate", "names": [ "Carboxyphosphonopyruvate" ] }, { "compound_id": "C17947", "inchi": "InChI=1S/C5H9O7P/c6-3(7)1-5(10,4(8)9)2-13(11)12/h10,13H,1-2H2,(H,6,7)(H,8,9)(H,11,12)", "name": "2-Phosphinomethylmalate", "names": [ "2-Phosphinomethylmalate", "2-Phosphinomethylmalic acid" ] }, { "compound_id": "C17948", "inchi": "InChI=1S/C4H7O5P/c5-3(4(6)7)1-2-10(8)9/h10H,1-2H2,(H,6,7)(H,8,9)", "name": "Deamino-alpha-keto-demethylphosphinothricin", "names": [ "4-(Hydroxyphosphinyl)-2-oxobutyric acid", "Deamino-alpha-keto-demethylphosphinothricin" ] }, { "compound_id": "C17949", "inchi": "InChI=1S/C6H12NO5P/c1-4(8)7-5(6(9)10)2-3-13(11)12/h5,13H,2-3H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t5-/m0/s1", "name": "N-Acetyldemethylphosphinothricin", "names": [ "N-Acetyldemethylphosphinothricin", "N-Adpt" ] }, { "compound_id": "C17950", "inchi": "InChI=1S/C12H22N3O7P/c1-6(10(17)14-7(2)12(19)20)13-11(18)9(15-8(3)16)4-5-23(21)22/h6-7,9,23H,4-5H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)(H,19,20)(H,21,22)/t6-,7-,9-/m0/s1", "name": "N-Acetyldemethylphosphinothricin tripeptide", "names": [ "N-Acetyldemethylphosphinothricin tripeptide" ] }, { "compound_id": "C17951", "inchi": "InChI=1S/C13H24N3O7P/c1-7(11(18)15-8(2)13(20)21)14-12(19)10(16-9(3)17)5-6-24(4,22)23/h7-8,10H,5-6H2,1-4H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)(H,22,23)/t7-,8-,10-/m0/s1", "name": "N-Acetylbialaphos", "names": [ "N-Acetylbialaphos", "N-Acetylphosphinothricin tripeptide" ] }, { "compound_id": "C17952", "inchi": "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)/t6-/m0/s1", "name": "N-Acetylphosphinothricin", "names": [ "L-N-Acetylphosphinothricin", "N-Acetyl-L-Glufosinate", "N-Acetylphinothricin", "N-Acetylphosphinothricin" ] }, { "compound_id": "C17953", "inchi": "InChI=1S/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11-,12-,15+/m0/s1", "name": "(5S)-Albaflavenol", "names": [ "(5S)-Albaflavenol" ] }, { "compound_id": "C17954", "inchi": "InChI=1S/C15H22O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1", "name": "Albaflavenone", "names": [ "Albaflavenone" ] }, { "compound_id": "C17955", "inchi": "InChI=1S/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11-,12+,15+/m0/s1", "name": "(5R)-Albaflavenol", "names": [ "(5R)-Albaflavenol" ] }, { "compound_id": "C17956", "inchi": "InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13?,14-,15-,16-,18+,19+,20+/m0/s1", "name": "Grandifloric acid", "names": [ "Grandifloric acid" ] }, { "compound_id": "C17957", "inchi": "InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3", "name": "Irigenin", "names": [ "Irigenin" ] }, { "compound_id": "C17958", "inchi": "InChI=1S/C20H18O8/c1-22-13-5-10(6-14(23-2)18(13)24-3)11-8-26-12-7-15-19(28-9-27-15)20(25-4)16(12)17(11)21/h5-8H,9H2,1-4H3", "name": "Irisflorentin", "names": [ "Irisflorentin" ] }, { "compound_id": "C17959", "inchi": "InChI=1S/C67H112O16P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-78-84(74,75)83-85(76,77)82-67-64(73)65(61(70)59(46-68)80-67)81-66-63(72)62(71)60(69)58(13)79-66/h24,26,28,30,32,34,36,38,40,42,44,58-73H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,74,75)(H,76,77)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t58-,59+,60-,61-,62+,63+,64+,65-,66-,67+/m0/s1", "name": "alpha-L-Rhamnosyl-(1->3)-alpha-D-galactosyl-diphosphoundecaprenol", "names": [ "alpha-L-Rhamnosyl-(1->3)-alpha-D-galactosyl-diphosphoundecaprenol" ] }, { "compound_id": "C17960", "inchi": "InChI=1S/C17H33N6O7P/c1-3-10(2)13(18)15(25)22-11(6-4-8-21-17(19)20)14(24)23-12(16(26)27)7-5-9-31(28,29)30/h5,7,10-13H,3-4,6,8-9,18H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)(H4,19,20,21)(H2,28,29,30)/t10?,11-,12-,13?/m0/s1", "name": "Rhizocticin C", "names": [ "Rhizocticin C" ] }, { "compound_id": "C17961", "inchi": "InChI=1S/C17H33N6O7P/c1-10(2)9-11(18)14(24)22-12(5-3-7-21-17(19)20)15(25)23-13(16(26)27)6-4-8-31(28,29)30/h4,6,10-13H,3,5,7-9,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H4,19,20,21)(H2,28,29,30)/t11?,12-,13-/m0/s1", "name": "Rhizocticin D", "names": [ "Rhizocticin D" ] }, { "compound_id": "C17962", "inchi": "InChI=1S/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1", "name": "Demethylphosphinothricin", "names": [ "(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid", "Demethylphosphinothricin" ] }, { "compound_id": "C17963", "inchi": "InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1", "name": "Colchicoside", "names": [ "Colchicoside" ] }, { "compound_id": "C17964", "inchi": "InChI=1S/C10H14N2O2/c1-2-9-7(5-14-10(9)13)3-8-4-11-6-12-8/h4,6-7,9H,2-3,5H2,1H3,(H,11,12)/t7-,9-/m0/s1", "name": "Pilocarpidine", "names": [ "Pilocarpidine" ] }, { "compound_id": "C17965", "inchi": "InChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-3,10H2,1H3/b9-8+", "name": "trans-Lachnophyllol", "names": [ "trans-Lachnophyllol" ] }, { "compound_id": "C17966", "inchi": "InChI=1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1", "name": "Shionon", "names": [ "Shionon" ] }, { "compound_id": "C17967", "inchi": "InChI=1S/C8H16N4O6/c9-7(10)12-1-2(13)4(15)5(16)6(3(1)14)18-8(11)17/h1-6,13-16H,(H2,11,17)(H4,9,10,12)/t1-,2-,3+,4+,5-,6-/m1/s1", "name": "Bluensidine", "names": [ "Bluensidine" ] }, { "compound_id": "C17968", "inchi": "InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-/m1/s1", "name": "Kasugamycin", "names": [ "Kasugamycin" ] }, { "compound_id": "C17969", "inchi": "InChI=1S/C25H46N8O10/c1-8(2)4-14(22(39)40)32-25(41)31-13(5-10-7-29-24(28)30-10)21(38)33-15-16(34)18(36)20(19(37)17(15)35)43-23-12(27)6-11(26)9(3)42-23/h8-20,23,34-37H,4-7,26-27H2,1-3H3,(H,33,38)(H,39,40)(H3,28,29,30)(H2,31,32,41)/t9-,10-,11+,12+,13+,14+,15-,16+,17+,18+,19-,20-,23-/m1/s1", "name": "Minosaminomycin", "names": [ "Minosaminomycin" ] }, { "compound_id": "C17970", "inchi": "InChI=1S/C15H26N2O7/c1-6-5-7(21-4)15(20)14(22-6)23-13-11(19)8(16-2)10(18)9(17-3)12(13)24-15/h5-6,8-14,16-20H,1-4H3/t6-,8-,9+,10+,11+,12-,13-,14?,15+/m1/s1", "name": "Spenolimycin", "names": [ "Spenolimycin" ] }, { "compound_id": "C17971", "inchi": "InChI=1S/C12H24N2O9/c13-3-6(17)8(19)9(20)10(21)11(3)23-12-4(14)7(18)5(16)2(1-15)22-12/h2-12,15-21H,1,13-14H2/t2-,3+,4-,5-,6+,7-,8-,9+,10-,11-,12-/m1/s1", "name": "Fortimicin FU-10", "names": [ "Fortimicin FU-10" ] }, { "compound_id": "C17972", "inchi": "InChI=1S/C13H27N3O8/c1-16-6-10(21)8(19)4(14)12(11(6)22)24-13-5(15)9(20)7(18)3(2-17)23-13/h3-13,16-22H,2,14-15H2,1H3/t3-,4+,5-,6+,7-,8+,9-,10+,11-,12-,13-/m1/s1", "name": "Fortimicin AO", "names": [ "Fortimicin AO" ] }, { "compound_id": "C17973", "inchi": "InChI=1S/C13H28N4O7/c1-17-6-10(21)8(19)4(15)12(11(6)22)24-13-5(16)9(20)7(18)3(2-14)23-13/h3-13,17-22H,2,14-16H2,1H3/t3-,4+,5-,6+,7-,8+,9-,10+,11-,12-,13-/m1/s1", "name": "Fortimicin KL1", "names": [ "Fortimicin KL1" ] }, { "compound_id": "C17974", "inchi": "InChI=1S/C14H30N4O7/c1-3(15)12-11(23)8(20)5(17)14(24-12)25-13-4(16)7(19)9(21)6(18-2)10(13)22/h3-14,18-23H,15-17H2,1-2H3/t3-,4-,5+,6-,7-,8+,9-,10+,11-,12+,13+,14+/m0/s1", "name": "Fortimicin KK1", "names": [ "Fortimicin KK1" ] }, { "compound_id": "C17975", "inchi": "InChI=1S/C14H30N4O5/c1-5(15)7-4-3-6(16)14(22-7)23-13-8(17)10(19)11(20)9(18-2)12(13)21/h5-14,18-21H,3-4,15-17H2,1-2H3/t5-,6+,7-,8-,9-,10-,11-,12+,13+,14+/m0/s1", "name": "Fortimicin AP", "names": [ "Fortimicin AP" ] }, { "compound_id": "C17976", "inchi": "InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6-,7+,8-,9-,10+,11-,12+,13+,14-,15+/m0/s1", "name": "Fortimicin KH", "names": [ "Fortimicin KH" ] }, { "compound_id": "C17977", "inchi": "InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6-,7+,8-,9-,10+,11-,12+,13+,14+,15+/m0/s1", "name": "Fortimicin KR", "names": [ "Fortimicin KR" ] }, { "compound_id": "C17978", "inchi": "InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6-,7+,8-,9+,10-,11-,12+,13+,14+,15+/m0/s1", "name": "1-epi-Fortimicin B", "names": [ "1-epi-Fortimicin B" ] }, { "compound_id": "C17979", "inchi": "InChI=1S/C18H36N6O6/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23)/t8-,9+,10-,12-,13-,14-,15+,16+,17+,18+/m0/s1", "name": "Formimidoyl-fortimicin A", "names": [ "Dactimicin", "Formimidoyl-fortimicin A", "SF-2052" ] }, { "compound_id": "C17980", "inchi": "InChI=1S/C18H36N6O6/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23)/t8-,9+,10-,12+,13-,14-,15+,16+,17+,18+/m0/s1", "name": "1-Epidactimicin", "names": [ "1-Epidactimicin" ] }, { "compound_id": "C17981", "inchi": "InChI=1S/C12H24N2O8/c13-3-1-4(16)7(17)10(20)11(3)22-12-6(14)9(19)8(18)5(2-15)21-12/h3-12,15-20H,1-2,13-14H2/t3-,4+,5+,6+,7-,8+,9+,10+,11+,12+/m0/s1", "name": "Istamycin FU-10", "names": [ "Istamycin FU-10" ] }, { "compound_id": "C17982", "inchi": "InChI=1S/C13H27N3O7/c1-16-8-5(18)2-4(14)12(11(8)21)23-13-7(15)10(20)9(19)6(3-17)22-13/h4-13,16-21H,2-3,14-15H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+/m0/s1", "name": "Istamycin AO", "names": [ "Istamycin AO" ] }, { "compound_id": "C17983", "inchi": "InChI=1S/C13H28N4O6/c1-17-8-5(18)2-4(15)12(11(8)21)23-13-7(16)10(20)9(19)6(3-14)22-13/h4-13,17-21H,2-3,14-16H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+/m0/s1", "name": "Istamycin KL1", "names": [ "Istamycin KL1" ] }, { "compound_id": "C17984", "inchi": "InChI=1S/C13H28N4O4/c1-17-10-9(18)4-8(16)12(11(10)19)21-13-7(15)3-2-6(5-14)20-13/h6-13,17-19H,2-5,14-16H2,1H3/t6-,7+,8-,9+,10-,11+,12+,13+/m0/s1", "name": "Istamycin AP", "names": [ "Istamycin AP" ] }, { "compound_id": "C17985", "inchi": "InChI=1S/C14H30N4O4/c1-18-11-10(20-2)5-9(17)13(12(11)19)22-14-8(16)4-3-7(6-15)21-14/h7-14,18-19H,3-6,15-17H2,1-2H3/t7-,8+,9-,10+,11-,12+,13+,14+/m0/s1", "name": "Istamycin Y0", "names": [ "Istamycin Y0" ] }, { "compound_id": "C17986", "inchi": "InChI=1S/C14H30N4O4/c1-18-11-10(20-2)5-9(17)13(12(11)19)22-14-8(16)4-3-7(6-15)21-14/h7-14,18-19H,3-6,15-17H2,1-2H3/t7-,8+,9-,10-,11-,12+,13+,14+/m0/s1", "name": "Istamycin X0", "names": [ "Istamycin X0", "Sannamycin G" ] }, { "compound_id": "C17987", "inchi": "InChI=1S/C18H35N5O6/c1-21-7-10-4-5-11(19)18(28-10)29-17-12(20)6-13(27-3)15(16(17)26)23(2)14(25)8-22-9-24/h9-13,15-18,21,26H,4-8,19-20H2,1-3H3,(H,22,24)/t10-,11+,12-,13-,15+,16+,17+,18+/m0/s1", "name": "Istamycin A1", "names": [ "Istamycin A1" ] }, { "compound_id": "C17988", "inchi": "InChI=1S/C18H36N6O6/c1-22-7-9-4-5-10(19)17(29-9)30-16-11(20)6-12(28-3)14(15(16)26)24(2)13(25)8-23-18(21)27/h9-12,14-17,22,26H,4-8,19-20H2,1-3H3,(H3,21,23,27)/t9-,10+,11-,12-,14+,15+,16+,17+/m0/s1", "name": "Istamycin A2", "names": [ "Istamycin A2" ] }, { "compound_id": "C17989", "inchi": "InChI=1S/C18H36N6O5/c1-22-7-10-4-5-11(20)18(28-10)29-17-12(21)6-13(27-3)15(16(17)26)24(2)14(25)8-23-9-19/h9-13,15-18,22,26H,4-8,20-21H2,1-3H3,(H2,19,23)/t10-,11+,12-,13-,15+,16+,17+,18+/m0/s1", "name": "Istamycin A3", "names": [ "Istamycin A3" ] }, { "compound_id": "C17990", "inchi": "InChI=1S/C15H32N4O4/c1-18-7-8-4-5-9(16)15(22-8)23-14-10(17)6-11(21-3)12(19-2)13(14)20/h8-15,18-20H,4-7,16-17H2,1-3H3/t8-,9+,10+,11-,12+,13+,14+,15+/m0/s1", "name": "Istamycin B0", "names": [ "Istamycin B0" ] }, { "compound_id": "C17991", "inchi": "InChI=1S/C17H35N5O5/c1-21-8-9-4-5-10(19)17(26-9)27-16-11(20)6-12(25-3)14(15(16)24)22(2)13(23)7-18/h9-12,14-17,21,24H,4-8,18-20H2,1-3H3/t9-,10+,11+,12-,14+,15+,16+,17+/m0/s1", "name": "Istamycin B", "names": [ "Istamycin B" ] }, { "compound_id": "C17992", "inchi": "InChI=1S/C18H35N5O6/c1-21-7-10-4-5-11(19)18(28-10)29-17-12(20)6-13(27-3)15(16(17)26)23(2)14(25)8-22-9-24/h9-13,15-18,21,26H,4-8,19-20H2,1-3H3,(H,22,24)/t10-,11+,12+,13-,15+,16+,17+,18+/m0/s1", "name": "Istamycin B1", "names": [ "Istamycin B1" ] }, { "compound_id": "C17993", "inchi": "InChI=1S/C18H36N6O5/c1-22-7-10-4-5-11(20)18(28-10)29-17-12(21)6-13(27-3)15(16(17)26)24(2)14(25)8-23-9-19/h9-13,15-18,22,26H,4-8,20-21H2,1-3H3,(H2,19,23)/t10-,11+,12+,13-,15+,16+,17+,18+/m0/s1", "name": "Istamycin B3", "names": [ "Istamycin B3" ] }, { "compound_id": "C17994", "inchi": "InChI=1S/C16H34N4O4/c1-4-20-8-9-5-6-10(17)16(23-9)24-15-11(18)7-12(22-3)13(19-2)14(15)21/h9-16,19-21H,4-8,17-18H2,1-3H3/t9-,10+,11-,12-,13+,14+,15+,16+/m0/s1", "name": "Istamycin C0", "names": [ "Istamycin C0" ] }, { "compound_id": "C17995", "inchi": "InChI=1S/C18H37N5O5/c1-4-22-9-10-5-6-11(20)18(27-10)28-17-12(21)7-13(26-3)15(16(17)25)23(2)14(24)8-19/h10-13,15-18,22,25H,4-9,19-21H2,1-3H3/t10-,11+,12-,13-,15+,16+,17+,18+/m0/s1", "name": "Istamycin C", "names": [ "Istamycin C" ] }, { "compound_id": "C17996", "inchi": "InChI=1S/C19H37N5O6/c1-4-22-8-11-5-6-12(20)19(29-11)30-18-13(21)7-14(28-3)16(17(18)27)24(2)15(26)9-23-10-25/h10-14,16-19,22,27H,4-9,20-21H2,1-3H3,(H,23,25)/t11-,12+,13-,14-,16+,17+,18+,19+/m0/s1", "name": "Istamycin C1", "names": [ "Istamycin C1" ] }, { "compound_id": "C17997", "inchi": "InChI=1S/C21H41N5O12/c1-26-9-13(31)18-17(37-20(9)38-21-15(33)11(29)7(24)6(3-27)34-21)12(30)8(25)19(36-18)35-16-5(23)2-4(22)10(28)14(16)32/h4-21,26-33H,2-3,22-25H2,1H3/t4-,5+,6-,7-,8-,9+,10+,11+,12-,13-,14-,15-,16-,17+,18-,19+,20-,21-/m1/s1", "name": "Oxyapramycin", "names": [ "Oxyapramycin" ] }, { "compound_id": "C17998", "inchi": "InChI=1S/C21H40N4O12/c1-25-10-13(29)18-8(33-20(10)37-21-16(32)14(30)12(28)9(4-26)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)11(27)15(17)31/h5-21,25-32H,2-4,22-24H2,1H3/t5-,6+,7-,8+,9-,10+,11+,12-,13-,14+,15-,16-,17-,18+,19+,20-,21-/m1/s1", "name": "Saccharocin", "names": [ "4''-Deamino-4''-hydroxyapramycin", "KA-5685", "Saccharocin" ] }, { "compound_id": "C17999", "inchi": "InChI=1S/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-8(21)11(26)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1", "name": "6-O-Glc-paromamine", "names": [ "6-O-Glc-paromamine" ] }, { "compound_id": "C18000", "inchi": "InChI=1S/C19H38N6O11/c20-2-6-11(27)12(28)9(24)17(33-6)35-15-4(21)1-5(22)16(14(15)30)36-18-13(29)8(23)10(26)7(34-18)3-32-19(25)31/h4-18,26-30H,1-3,20-24H2,(H2,25,31)/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1", "name": "Nebramycin factor 4", "names": [ "Nebramycin factor 4" ] }, { "compound_id": "C18001", "inchi": "InChI=1S/C19H38N6O10/c20-3-9-8(26)2-7(23)17(32-9)34-15-5(21)1-6(22)16(14(15)29)35-18-13(28)11(24)12(27)10(33-18)4-31-19(25)30/h5-18,26-29H,1-4,20-24H2,(H2,25,30)/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1", "name": "Nebramycin factor 5'", "names": [ "Nebramycin factor 5'" ] }, { "compound_id": "C18002", "inchi": "InChI=1S/C17H33N3O11/c18-4-1-5(19)14(30-16-8(20)12(26)10(24)6(2-21)28-16)15(9(4)23)31-17-13(27)11(25)7(3-22)29-17/h4-17,21-27H,1-3,18-20H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1", "name": "5-Ribosylparomamine", "names": [ "5-Ribosylparomamine", "Ribosylparomamine" ] }, { "compound_id": "C18003", "inchi": "InChI=1S/C23H45N5O13/c24-3-10-15(33)16(34)13(28)22(36-10)40-19-12(5-30)38-23(17(19)35)41-20-14(32)6(25)1-7(26)18(20)39-21-8(27)2-9(31)11(4-29)37-21/h6-23,29-35H,1-5,24-28H2/t6-,7+,8-,9+,10+,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", "name": "Lividomycin B", "names": [ "Lividomycin B" ] }, { "compound_id": "C18004", "inchi": "InChI=1S/C17H35N4O13P/c18-2-6-10(23)12(25)8(21)16(31-6)33-14-5(20)1-4(19)9(22)15(14)34-17-13(26)11(24)7(32-17)3-30-35(27,28)29/h4-17,22-26H,1-3,18-21H2,(H2,27,28,29)/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1", "name": "5''-Phosphoribostamycin", "names": [ "5''-Phosphoribostamycin" ] }, { "compound_id": "C18005", "inchi": "InChI=1S/C26H48N6O15/c27-6-12-17(37)19(39)15(30)25(44-12)46-21-9(29)5-10(16(36)22(21)47-26-20(40)18(38)13(7-33)45-26)32-23(41)11(34)3-4-31-14(35)2-1-8(28)24(42)43/h8-13,15-22,25-26,33-34,36-40H,1-7,27-30H2,(H,31,35)(H,32,41)(H,42,43)/t8-,9-,10+,11-,12+,13+,15+,16-,17+,18+,19+,20+,21+,22+,25+,26-/m0/s1", "name": "gamma-L-Glutamyl-butirosin B", "names": [ "gamma-L-Glutamyl-butirosin B" ] }, { "compound_id": "C18006", "inchi": null, "name": "gamma-L-Glutamyl-[acp]", "names": [ "gamma-L-Glutamyl-ACP", "gamma-L-Glutamyl-[acp]", "gamma-L-Glutamyl-[acyl carrier protein]" ] }, { "compound_id": "C18007", "inchi": null, "name": "4-Aminobutyryl-[acp]", "names": [ "4-Aminobutyryl-[acp]", "4-Aminobutyryl-[acyl carrier protein]", "GABA-ACP" ] }, { "compound_id": "C18008", "inchi": null, "name": "gamma-L-Glutamyl-4-aminobutyryl-[acp]", "names": [ "gamma-L-Glutamyl-4-aminobutyryl-ACP", "gamma-L-Glutamyl-4-aminobutyryl-[acp]", "gamma-L-Glutamyl-4-aminobutyryl-[acyl carrier protein]" ] }, { "compound_id": "C18009", "inchi": null, "name": "gamma-L-Glutamyl-4-amino-2-hydroxybutyryl-[acp]", "names": [ "gamma-L-Glutamyl-4-amino-2-hydroxybutyryl-ACP", "gamma-L-Glutamyl-4-amino-2-hydroxybutyryl-[acp]", "gamma-L-Glutamyl-4-amino-2-hydroxybutyryl-[acyl carrier protein]" ] }, { "compound_id": "C18010", "inchi": "InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1", "name": "Deltorphin A", "names": [ "Deltorphin A" ] }, { "compound_id": "C18011", "inchi": "InChI=1S/C8H12O2/c1-8(7-10)5-3-2-4-6-9/h2-3,5-6,10H,4,7H2,1H3/b3-2+,8-5+", "name": "7-Hydroxy-6-methylhepta-3,5-dienal", "names": [ "7-Hydroxy-6-methylhepta-3,5-dienal" ] }, { "compound_id": "C18012", "inchi": "InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H", "name": "Flaviolin", "names": [ "2,5,7-Trihydroxy-1,4-naphthalenedione", "Flaviolin" ] }, { "compound_id": "C18013", "inchi": "InChI=1S/C20H10O10/c21-5-1-7-11(9(23)3-5)17(27)13(19(29)15(7)25)14-18(28)12-8(16(26)20(14)30)2-6(22)4-10(12)24/h1-4,21-24,29-30H", "name": "3,3'-Biflaviolin", "names": [ "3,3'-Biflaviolin" ] }, { "compound_id": "C18014", "inchi": "InChI=1S/C20H10O10/c21-5-1-6-12(7(22)2-5)19(29)16(20(30)17(6)27)14-10(25)3-8(23)13-9(24)4-11(26)18(28)15(13)14/h1-4,21-23,25-26,30H", "name": "3,8'-Biflaviolin", "names": [ "3,8'-Biflaviolin" ] }, { "compound_id": "C18015", "inchi": "InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3/t13-,14-,16-,18-,19-,20+/m1/s1", "name": "Momilactone A", "names": [ "Momilactone A" ] }, { "compound_id": "C18016", "inchi": "InChI=1S/C20H28O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-16,21H,1,6-9,11H2,2-4H3/t13-,14-,15+,16-,18-,19-,20+/m1/s1", "name": "3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide", "names": [ "3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide" ] }, { "compound_id": "C18017", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3", "name": "8-p-Menthen-2-ol", "names": [ "1,6-Dihydrocarveol", "6-Methyl-3-isopropenylcyclohexanol", "8-p-Menthen-2-ol", "Menth-8-en-2-ol" ] }, { "compound_id": "C18018", "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3", "name": "p-Menth-8-en-2-one", "names": [ "2-Methyl-5-(1-methylethenyl)cyclohexanone", "Menth-8-en-2-one", "p-Menth-8-en-2-one" ] }, { "compound_id": "C18019", "inchi": "InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3", "name": "1-Hydroxy-p-Menth-8-en-2-one", "names": [ "1-Hydroxy-p-Menth-8-en-2-one", "1-Hydroxymenth-8-en-2-one", "2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone" ] }, { "compound_id": "C18020", "inchi": "InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3", "name": "p-Menth-8-ene-1,2-diol", "names": [ "1-Methyl-4-(1-methylethenyl)-1,2-cyclohexanediol", "Menth-8-ene-1,2-diol", "p-Menth-8-ene-1,2-diol" ] }, { "compound_id": "C18021", "inchi": "InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1", "name": "Pheophorbide a", "names": [ "Pheophorbide a" ] }, { "compound_id": "C18022", "inchi": "InChI=1S/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12-14,17,21,23,30,36,38H,2,8,10-11H2,1,3-7H3,(H,39,44)(H,41,42)/b22-12-,24-13-/t17-,21-,23?,30+/m0/s1", "name": "Red chlorophyll catabolite", "names": [ "Red chlorophyll catabolite" ] }, { "compound_id": "C18023", "inchi": "InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1", "name": "Sophoraflavanone B", "names": [ "8-Prenylnaringenin", "Flavaprenin", "Sophoraflavanone B" ] }, { "compound_id": "C18024", "inchi": "InChI=1S/C20H20O6/c1-10(2)3-5-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)12-6-4-11(21)7-14(12)22/h3-4,6-8,18,21-24H,5,9H2,1-2H3/t18-/m0/s1", "name": "Leachianone G", "names": [ "Leachianone G" ] }, { "compound_id": "C18025", "inchi": "InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1", "name": "(+)-Menthofuran", "names": [ "(+)-Menthofuran", "(R)-Menthofuran" ] }, { "compound_id": "C18026", "inchi": "InChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13?,14-,17-,18-,19?,23-/m1/s1", "name": "Ethylmalonyl-CoA", "names": [ "Ethylmalonyl coenzyme A", "Ethylmalonyl-CoA" ] }, { "compound_id": "C18027", "inchi": "InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1", "name": "(4R,7S)-7-Isopropyl-4-methyloxepan-2-one", "names": [ "(4R,7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone", "(4R,7S)-7-Isopropyl-4-methyloxepan-2-one", "Mentholactone" ] }, { "compound_id": "C18028", "inchi": "InChI=1S/C6H10O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-5,7-9H,1H3/t2-,3+,4+,5-/m0/s1", "name": "L-Fucono-1,5-lactone", "names": [ "L-Fucono-1,5-lactone" ] }, { "compound_id": "C18029", "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-9,11-14,19,21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-,14-/m1/s1", "name": "dTDP-3-oxo-2,6-dideoxy-D-glucose", "names": [ "dTDP-(2,6-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester", "dTDP-3-oxo-2,6-dideoxy-D-glucose" ] }, { "compound_id": "C18030", "inchi": "InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-14,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9-,10+,11-,12-,13-,14-/m1/s1", "name": "dTDP-2,6-dideoxy-D-kanosamine", "names": [ "dTDP-(3-amino-2,3,6-trideoxy-alpha-D-arabino-hexopyranosyl) ester", "dTDP-2,6-dideoxy-D-kanosamine" ] }, { "compound_id": "C18031", "inchi": "InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-16,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11-,12+,13-,14-,15-,16-/m1/s1", "name": "dTDP-D-angolosamine", "names": [ "dTDP-D-angolosamine" ] }, { "compound_id": "C18032", "inchi": "InChI=1S/C16H24N2O13P2/c1-8-6-18(16(22)17-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(19)9(2)28-14/h6,9,11-14,20H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/t9-,11+,12-,13-,14-/m1/s1", "name": "dTDP-4-oxo-2,3,6-trideoxy-D-glucose", "names": [ "dTDP-4-oxo-2,3,6-trideoxy-D-glucose", "dTDP-[(2R,6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl] ester" ] }, { "compound_id": "C18033", "inchi": "InChI=1S/C16H27N3O12P2/c1-8-6-19(16(22)18-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(17)9(2)28-14/h6,9-14,20H,3-5,7,17H2,1-2H3,(H,23,24)(H,25,26)(H,18,21,22)/t9-,10+,11+,12-,13-,14-/m1/s1", "name": "dTDP-4-amino-2,3,4,6-tetradeoxy-D-glucose", "names": [ "dTDP-4-amino-2,3,4,6-tetradeoxy-D-glucose", "dTDP-[(2R,5S,6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl] ester" ] }, { "compound_id": "C18034", "inchi": "InChI=1S/C18H31N3O12P2/c1-10-8-21(18(24)19-17(10)23)15-7-13(22)14(31-15)9-29-34(25,26)33-35(27,28)32-16-6-5-12(20(3)4)11(2)30-16/h8,11-16,22H,5-7,9H2,1-4H3,(H,25,26)(H,27,28)(H,19,23,24)/t11-,12+,13+,14-,15-,16-/m1/s1", "name": "dTDP-D-forosamine", "names": [ "dTDP-D-forosamine", "dTDP-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl] ester" ] }, { "compound_id": "C18035", "inchi": "InChI=1S/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10+,11-,12-,13-,17-/m1/s1", "name": "dTDP-3-methyl-4-oxo-2,6-dideoxy-D-glucose", "names": [ "dTDP-(2,6-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester", "dTDP-3-methyl-4-oxo-2,6-dideoxy-D-glucose" ] }, { "compound_id": "C18036", "inchi": "InChI=1S/C14H18O3/c1-14(2)5-3-4-8-6-9-10(7-15)13(16)17-12(9)11(8)14/h7,9,12,15H,3-6H2,1-2H3/b10-7+/t9-,12+/m1/s1", "name": "Strigolactone ABC-rings", "names": [ "Strigolactone ABC-rings" ] }, { "compound_id": "C18037", "inchi": "InChI=1S/C19H22O5/c1-10-7-14(23-17(10)20)22-9-13-12-8-11-5-4-6-19(2,3)15(11)16(12)24-18(13)21/h7,9,12,14,16H,4-6,8H2,1-3H3/b13-9+/t12-,14-,16+/m1/s1", "name": "5-Deoxystrigol", "names": [ "5-Deoxystrigol" ] }, { "compound_id": "C18038", "inchi": "InChI=1S/C21H32O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-19,23-24H,4-10H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1", "name": "7alpha-Hydroxypregnenolone", "names": [ "3beta,7alpha-Dihydroxy-5-pregnen-20-one", "7alpha-Hydroxypregnenolone" ] }, { "compound_id": "C18039", "inchi": "InChI=1S/C21H28O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h8,13-15,17-19,22,25H,2-7,9-10H2,1H3/t13-,14-,15?,17-,18+,19-,20-,21+/m0/s1", "name": "Aldosterone hemiacetal", "names": [ "11beta-18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione", "Aldosterone hemiacetal" ] }, { "compound_id": "C18040", "inchi": "InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1", "name": "5alpha-Dihydrodeoxycorticosterone", "names": [ "5alpha-Dihydrodeoxycorticosterone", "5alpha-Pregnan-21-ol-3,20-dione", "Allopregnane-21-ol-3,20-dione" ] }, { "compound_id": "C18041", "inchi": "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1", "name": "5alpha-Pregnan-20alpha-ol-3-one", "names": [ "5alpha-Pregnan-20alpha-ol-3-one", "Allopregnan-20alpha-ol-3-one" ] }, { "compound_id": "C18042", "inchi": "InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20-,21+/m0/s1", "name": "5alpha-Pregnane-3alpha,20alpha-diol", "names": [ "5alpha-Pregnane-3alpha,20alpha-diol", "Allopregnane-3alpha,20alpha-diol" ] }, { "compound_id": "C18043", "inchi": "InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "name": "Cholesterol sulfate", "names": [ "Cholest-5-en-3beta-ol sulfate", "Cholesterol sulfate" ] }, { "compound_id": "C18044", "inchi": "InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1", "name": "3beta-Hydroxypregn-5-en-20-one sulfate", "names": [ "3beta-Hydroxypregn-5-en-20-one sulfate", "Pregnenolone sulfate" ] }, { "compound_id": "C18045", "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1", "name": "7alpha-Hydroxydehydroepiandrosterone", "names": [ "3beta,7alpha-Dihydroxy-5-androstene-17-one", "7alpha-Hydroxydehydroepiandrosterone", "7alpha-OH-DHEA" ] }, { "compound_id": "C18046", "inchi": null, "name": "Biotinyl-[protein]", "names": [ "Biotin protein of malonate decarboxylase", "Biotinyl-[protein]" ] }, { "compound_id": "C18047", "inchi": null, "name": "Carboxybiotinyl-[protein]", "names": [ "Carboxybiotinyl-[protein]" ] }, { "compound_id": "C18048", "inchi": "InChI=1S/C10H17N3O6/c11-10(19)12-5-1-2-6(9(17)18)13-7(14)3-4-8(15)16/h6H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H3,11,12,19)/t6-/m0/s1", "name": "N-Succinyl-L-citrulline", "names": [ "N-Succinyl-L-citrulline" ] }, { "compound_id": "C18049", "inchi": null, "name": "N-Acyl-L-homoserine lactone", "names": [ "N-Acyl-L-homoserine lactone" ] }, { "compound_id": "C18050", "inchi": "InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9+,10+,11-,12+/m1/s1", "name": "beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate", "names": [ "Mannosylfructose 6-phosphate", "beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate" ] }, { "compound_id": "C18051", "inchi": "InChI=1S/C10H20O7P2/c1-7(2)5-8-9(10(8,3)4)6-16-19(14,15)17-18(11,12)13/h5,8-9H,6H2,1-4H3,(H,14,15)(H2,11,12,13)/t8-,9-/m1/s1", "name": "Chrysanthemyl diphosphate", "names": [ "Chrysanthemyl diphosphate" ] }, { "compound_id": "C18052", "inchi": "InChI=1/C10H20O7P2/c1-8(2)5-6-10(9(3)4)7-16-19(14,15)17-18(11,12)13/h5,10H,3,6-7H2,1-2,4H3,(H,14,15)(H2,11,12,13)/t10-/m0/s1/f/h11-12,14H", "name": "Lavandulyl diphosphate", "names": [ "Lavandulyl diphosphate" ] }, { "compound_id": "C18053", "inchi": "InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15?,23-/m0/s1", "name": "Sophoraflavanone G", "names": [ "Sophoraflavanone G" ] }, { "compound_id": "C18054", "inchi": "InChI=1S/C10H11NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1", "name": "2-Amino-2-deoxyisochorismate", "names": [ "(2S)-2-Amino-4-deoxychorismate", "2-Amino-2-deoxyisochorismate" ] }, { "compound_id": "C18055", "inchi": "InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5?,6?,7?,8-/m1/s1", "name": "N-Acetyl-alpha-D-hexosamine 1-phosphate", "names": [ "N-Acetyl-alpha-D-hexosamine 1-phosphate" ] }, { "compound_id": "C18056", "inchi": "InChI=1S/C15H19N3O2/c1-16-5-4-11-8-17-14-3-2-10(7-13(11)14)6-12-9-20-15(19)18-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3,(H,18,19)/t12-/m1/s1", "name": "N-Desmethylzolmitriptan", "names": [ "183C91", "N-Desmethylzolmitriptan" ] }, { "compound_id": "C18058", "inchi": null, "name": "1D-myo-Inositol bisdiphosphate tetrakisphosphate", "names": [ "1D-myo-Inositol bisdiphosphate tetrakisphosphate" ] }, { "compound_id": "C18059", "inchi": "InChI=1S/C52H85N3O13P2/c1-38(2)17-11-19-40(5)21-13-23-42(7)25-15-27-44(9)30-33-63-35-46(64-34-31-45(10)28-16-26-43(8)24-14-22-41(6)20-12-18-39(3)4)36-65-69(59,60)68-70(61,62)66-37-47-49(56)50(57)51(67-47)55-32-29-48(53)54-52(55)58/h17-18,21-22,25-26,29-32,46-47,49-51,56-57H,11-16,19-20,23-24,27-28,33-37H2,1-10H3,(H,59,60)(H,61,62)(H2,53,54,58)/b40-21+,41-22+,42-25+,43-26+,44-30+,45-31+/t46-,47+,49+,50+,51+/m0/s1", "name": "CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol", "names": [ "CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol" ] }, { "compound_id": "C18060", "inchi": "InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1", "name": "N-Acetyl-alpha-D-galactosamine 1-phosphate", "names": [ "N-Acetyl-alpha-D-galactosamine 1-phosphate" ] }, { "compound_id": "C18061", "inchi": null, "name": "N-Acyl-L-homoserine", "names": [ "N-Acyl-L-homoserine" ] }, { "compound_id": "C18062", "inchi": "InChI=1S/C14H17NO10/c16-4-8-9(18)10(19)11(20)13(24-8)25-14-12(21)15(22)6-2-1-5(17)3-7(6)23-14/h1-3,8-11,13-14,16-20,22H,4H2/t8-,9-,10+,11-,13+,14+/m1/s1", "name": "TRIBOA-glucoside", "names": [ "2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside", "2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one-glucoside", "TRIBOA-glucoside" ] }, { "compound_id": "C18063", "inchi": "InChI=1S/C34H34N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(39)40)31(37-23)29-30(34(42)43)33(41)28-17(6)24(38-32(28)29)13-26-19(8-2)15(4)22(36-26)12-25(18)35-21/h7,11-13,16,20,30,35,38H,1,8-10H2,2-6H3,(H,39,40)(H,42,43)/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,31-29-/t16-,20-,30+/m0/s1", "name": "C-132-Carboxypyropheophorbide a", "names": [ "C-132-Carboxylpyropheophorbide a", "C-132-Carboxypyropheophorbide a" ] }, { "compound_id": "C18064", "inchi": "InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-/m0/s1", "name": "Pyropheophorbide a", "names": [ "Pyropheophorbide a" ] }, { "compound_id": "C18066", "inchi": "InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3", "name": "7-Isopropyl-4-methyloxepan-2-one", "names": [ "7-Isopropyl-4-methyloxepan-2-one" ] }, { "compound_id": "C18067", "inchi": "InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)", "name": "6-Hydroxy-3,7-dimethyloctanoate", "names": [ "6-Hydroxy-3,7-dimethyloctanoate" ] }, { "compound_id": "C18068", "inchi": "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9+,10+,11-,12+/m1/s1", "name": "beta-D-Fructofuranosyl-alpha-D-mannopyranoside", "names": [ "Mannosylfructose", "beta-D-Fructofuranosyl-alpha-D-mannopyranoside" ] }, { "compound_id": "C18069", "inchi": "InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+", "name": "N1,N5,N10-Tricoumaroyl spermidine", "names": [ "N1,N5,N10-Tricoumaroyl spermidine" ] }, { "compound_id": "C18070", "inchi": "InChI=1S/C34H37N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-15,20-22,38-43H,1-3,16-19H2,(H,35,44)(H,36,45)/b13-7+,14-8+,15-9+", "name": "N1,N5,N10-Tricaffeoyl spermidine", "names": [ "N1,N5,N10-Tricaffeoyl spermidine" ] }, { "compound_id": "C18071", "inchi": "InChI=1S/C37H43N3O9/c1-47-32-23-26(7-13-29(32)41)10-16-35(44)38-19-4-5-21-40(37(46)18-12-28-9-15-31(43)34(25-28)49-3)22-6-20-39-36(45)17-11-27-8-14-30(42)33(24-27)48-2/h7-18,23-25,41-43H,4-6,19-22H2,1-3H3,(H,38,44)(H,39,45)/b16-10+,17-11+,18-12+", "name": "N1,N5,N10-Triferuloyl spermidine", "names": [ "N1,N5,N10-Triferuloyl spermidine" ] }, { "compound_id": "C18072", "inchi": "InChI=1S/C37H43N3O12/c1-50-29-20-23(17-26(41)35(29)47)7-10-32(44)38-13-4-5-15-40(34(46)12-9-25-19-28(43)37(49)31(22-25)52-3)16-6-14-39-33(45)11-8-24-18-27(42)36(48)30(21-24)51-2/h7-12,17-22,41-43,47-49H,4-6,13-16H2,1-3H3,(H,38,44)(H,39,45)/b10-7+,11-8+,12-9+", "name": "N1,N5,N10-Tri-(hydroxyferuloyl)-spermidine", "names": [ "N1,N5,N10-Tri-(hydroxyferuloyl)-spermidine" ] }, { "compound_id": "C18073", "inchi": "InChI=1S/C38H45N3O12/c1-50-29-20-24(18-27(42)36(29)47)8-11-34(45)40-15-7-17-41(35(46)13-10-25-19-28(43)37(48)30(21-25)51-2)16-6-5-14-39-33(44)12-9-26-22-31(52-3)38(49)32(23-26)53-4/h8-13,18-23,42-43,47-49H,5-7,14-17H2,1-4H3,(H,39,44)(H,40,45)/b11-8+,12-9+,13-10+", "name": "N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine", "names": [ "N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine" ] }, { "compound_id": "C18075", "inchi": "InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1", "name": "11beta,17beta-Dihydroxy-4-androsten-3-one", "names": [ "11beta,17beta-Dihydroxy-4-androsten-3-one", "11beta-Hydroxytestosterone" ] }, { "compound_id": "C18076", "inchi": "InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(43-17)1-42-47(39,40)45-12-6(2-41-46(36,37)38)44-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1", "name": "5'-Phosphoguanylyl(3'->5')guanosine", "names": [ "5'-Phosphoguanylyl(3'->5')guanosine" ] }, { "compound_id": "C18077", "inchi": "InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+", "name": "Methylenedioxycinnamic acid", "names": [ "MDCA", "Methylenedioxycinnamic acid" ] }, { "compound_id": "C18078", "inchi": "InChI=1S/C10H6O4/c11-10-2-1-6-3-8-9(13-5-12-8)4-7(6)14-10/h1-4H,5H2", "name": "Ayapin", "names": [ "Ayapin" ] }, { "compound_id": "C18079", "inchi": "InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3", "name": "Isoscopoletin", "names": [ "Isoscopoletin" ] }, { "compound_id": "C18080", "inchi": "InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3", "name": "Osthenol", "names": [ "Osthenol" ] }, { "compound_id": "C18081", "inchi": "InChI=1S/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3", "name": "Sphondin", "names": [ "Sphondin" ] }, { "compound_id": "C18082", "inchi": "InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3", "name": "Isobergapten", "names": [ "Isobergapten" ] }, { "compound_id": "C18083", "inchi": "InChI=1S/C14H14O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,5-8,15H,4H2,1-2H3", "name": "Demethylsuberosin", "names": [ "7-Demethylsuberosin", "Demethylsuberosin" ] }, { "compound_id": "C18084", "inchi": "InChI=1S/C11H6O4/c12-8-5-9-7(3-4-14-9)11-6(8)1-2-10(13)15-11/h1-5,12H", "name": "Isobergaptol", "names": [ "Isobergaptol" ] }, { "compound_id": "C18085", "inchi": "InChI=1S/C11H6O4/c12-8-5-6-1-2-9(13)15-10(6)7-3-4-14-11(7)8/h1-5,12H", "name": "6-Hydroxyangelicin", "names": [ "6-Hydroxyangelicin", "Heratomol" ] }, { "compound_id": "C18086", "inchi": null, "name": "2'-Hydroxy caffeic acid", "names": [ "2'-Hydroxy caffeic acid" ] }, { "compound_id": "C18087", "inchi": null, "name": "2'-Hydroxyferulic acid", "names": [ "2'-Hydroxyferulic acid" ] }, { "compound_id": "C18088", "inchi": null, "name": "2'-Hydroxy-MDCA", "names": [ "2'-Hydroxy-MDCA" ] }, { "compound_id": "C18089", "inchi": null, "name": "2',4'-Dihydroxycinnamic acid", "names": [ "2',4'-Dihydroxycinnamic acid" ] }, { "compound_id": "C18090", "inchi": "InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3", "name": "Tricaine", "names": [ "3-Aminobenzoic acid", "Tricaine", "m-Aminobenzoate" ] }, { "compound_id": "C18091", "inchi": "InChI=1S/C2H4NO2/c1-2-3(4)5/h2H,1H3/q-1", "name": "Ethylnitronate", "names": [ "Ethylnitronate" ] }, { "compound_id": "C18092", "inchi": "InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-14,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9+,10-,11+,12+,13+,14-/m0/s1", "name": "dTDP-L-ristosamine", "names": [ "dTDP-3-amino-2,3,6-trideoxy-L-allose", "dTDP-3-amino-2,3,6-trideoxy-L-ribo-hexose", "dTDP-L-ristosamine" ] }, { "compound_id": "C18093", "inchi": "InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)/b16-6+", "name": "Iopodic acid", "names": [ "Iopodic acid" ] }, { "compound_id": "C18094", "inchi": "InChI=1S/C14H22N2O16P2/c17-3-5-8(19)11(22)13(30-5)31-34(26,27)32-33(24,25)28-4-6-9(20)10(21)12(29-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12?,13+/m0/s1", "name": "UDP-L-arabinofuranose", "names": [ "UDP-L-arabinofuranose", "UDP-beta-L-arabinofuranose" ] }, { "compound_id": "C18095", "inchi": "InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1", "name": "Deltorphin B", "names": [ "Deltorphin B", "Deltorphin II" ] }, { "compound_id": "C18096", "inchi": "InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5-,6?/m1/s1", "name": "D-Allulose 6-phosphate", "names": [ "D-Allulose 6-phosphate" ] }, { "compound_id": "C18097", "inchi": "InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1", "name": "Deltorphin C", "names": [ "Deltorphin C", "Deltorphin I" ] }, { "compound_id": "C18098", "inchi": "InChI=1S/C35H40N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29-/t17-,21-,23?,30+/m0/s1", "name": "Primary fluorescent chlorophyll catabolite", "names": [ "Primary fluorescent chlorophyll catabolite" ] }, { "compound_id": "C18099", "inchi": "InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H", "name": "1,2,3,7,8-Pentachlorodibenzodioxin", "names": [ "1,2,3,7,8-PeCDD", "1,2,3,7,8-Pentachlorodibenzo-p-dioxin", "1,2,3,7,8-Pentachlorodibenzodioxin", "PCDD 54" ] }, { "compound_id": "C18100", "inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H", "name": "1,2,3,4,7,8-Hexachlorodibenzodioxin", "names": [ "1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin", "1,2,3,4,7,8-Hexachlorodibenzodioxin", "1,2,3,4,7,8-HxCDD", "PCDD 66" ] }, { "compound_id": "C18101", "inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H", "name": "1,2,3,6,7,8-Hexachlorodibenzodioxin", "names": [ "1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin", "1,2,3,6,7,8-Hexachlorodibenzodioxin", "1,2,3,6,7,8-HxCDD", "PCDD 67" ] }, { "compound_id": "C18102", "inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H", "name": "1,2,3,7,8,9-Hexachlorodibenzodioxin", "names": [ "1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin", "1,2,3,7,8,9-Hexachlorodibenzodioxin", "1,2,3,7,8,9-HxCDD", "PCDD 70" ] }, { "compound_id": "C18103", "inchi": "InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H", "name": "1,2,3,4,6,7,8-Heptachlorodibenzodioxin", "names": [ "1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin", "1,2,3,4,6,7,8-Heptachlorodibenzodioxin", "1,2,3,4,6,7,8-HpCDD", "PCDD 73" ] }, { "compound_id": "C18104", "inchi": "InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H", "name": "2,3,7,8-Tetrachlorodibenzofuran", "names": [ "2,3,7,8-TCDF", "2,3,7,8-Tetrachlorodibenzofuran", "PCDF 83" ] }, { "compound_id": "C18105", "inchi": "InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H", "name": "1,2,3,7,8-Pentachlorodibenzofuran", "names": [ "1,2,3,7,8-PeCDF", "1,2,3,7,8-Pentachlorodibenzofuran", "PCDF 94" ] }, { "compound_id": "C18106", "inchi": "InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H", "name": "2,3,4,7,8-Pentachlorodibenzofuran", "names": [ "2,3,4,7,8-PeCDF", "2,3,4,7,8-Pentachlorodibenzofuran", "PCDF 114" ] }, { "compound_id": "C18107", "inchi": "InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H", "name": "1,2,3,4,7,8-Hexachlorodibenzofuran", "names": [ "1,2,3,4,7,8-Hexachlorodibenzofuran", "1,2,3,4,7,8-HxCDF", "PCDF 118" ] }, { "compound_id": "C18108", "inchi": "InChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H", "name": "1,2,3,7,8,9-Hexachlorodibenzofuran", "names": [ "1,2,3,7,8,9-Hexachlorodibenzofuran", "1,2,3,7,8,9-HxCDF", "PCDF 124" ] }, { "compound_id": "C18109", "inchi": "InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H", "name": "1,2,3,6,7,8-Hexachlorodibenzofuran", "names": [ "1,2,3,6,7,8-Hexachlorodibenzofuran", "1,2,3,6,7,8-HxCDF", "PCDF 121" ] }, { "compound_id": "C18110", "inchi": "InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H", "name": "2,3,4,6,7,8-Hexachlorodibenzofuran", "names": [ "2,3,4,6,7,8-Hexachlorodibenzofuran", "2,3,4,6,7,8-HxCDF", "PCDF 130" ] }, { "compound_id": "C18111", "inchi": "InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H", "name": "1,2,3,4,6,7,8-Heptachlorodibenzofuran", "names": [ "1,2,3,4,6,7,8-Heptachlorodibenzofuran", "1,2,3,4,6,7,8-HpCDF", "PCDF 131" ] }, { "compound_id": "C18112", "inchi": "InChI=1S/C12HCl7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H", "name": "1,2,3,4,7,8,9-Heptachlorodibenzofuran", "names": [ "1,2,3,4,7,8,9-Heptachlorodibenzofuran", "1,2,3,4,7,8,9-HpCDF", "PCDF 134" ] }, { "compound_id": "C18113", "inchi": "InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15", "name": "1,2,3,4,6,7,8,9-Octachlorodibenzofuran", "names": [ "1,2,3,4,6,7,8,9-Octachlorodibenzofuran", "OCDF", "Octachlorodibenzofuran", "PCDF 135" ] }, { "compound_id": "C18114", "inchi": "InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H", "name": "3,4,4',5-Tetrachlorobiphenyl", "names": [ "3,4,4',5-Tetrachlorobiphenyl", "PCB 81" ] }, { "compound_id": "C18115", "inchi": "InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H", "name": "3,4,5,3',4',5'-Hexachlorobiphenyl", "names": [ "3,4,5,3',4',5'-Hexachlorobiphenyl", "PCB 169" ] }, { "compound_id": "C18116", "inchi": "InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H", "name": "2,3,4,3',4'-Pentachlorobiphenyl", "names": [ "2,3,4,3',4'-Pentachlorobiphenyl", "PCB 105" ] }, { "compound_id": "C18117", "inchi": "InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H", "name": "2,3,4,4',5-Pentachlorobiphenyl", "names": [ "2,3,4,4',5-Pentachlorobiphenyl", "PCB 114" ] }, { "compound_id": "C18118", "inchi": "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H", "name": "2,3',4,4',5-Pentachlorobiphenyl", "names": [ "2,3',4,4',5-Pentachlorobiphenyl", "PCB 118" ] }, { "compound_id": "C18119", "inchi": "InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H", "name": "2,3',4,4',5'-Pentachlorobiphenyl", "names": [ "2,3',4,4',5'-Pentachlorobiphenyl", "PCB 123" ] }, { "compound_id": "C18120", "inchi": "InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H", "name": "2,3,3',4,4',5-Hexachlorobiphenyl", "names": [ "2,3,3',4,4',5-Hexachlorobiphenyl", "PCB 156" ] }, { "compound_id": "C18121", "inchi": "InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H", "name": "2,3,3',4,4',5'-Hexachlorobiphenyl", "names": [ "2,3,3',4,4',5'-Hexachlorobiphenyl", "PCB 157" ] }, { "compound_id": "C18122", "inchi": "InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H", "name": "2,3',4,4',5,5'-Hexachlorobiphenyl", "names": [ "2,3',4,4',5,5'-Hexachlorobiphenyl", "PCB 167" ] }, { "compound_id": "C18123", "inchi": "InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H", "name": "2,3,3',4,4',5,5'-Heptachlorobiphenyl", "names": [ "2,3,3',4,4',5,5'-Heptachlorobiphenyl", "PCB 189" ] }, { "compound_id": "C18124", "inchi": "InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3-,4-,5?,6?,7?,10-,11-/m0/s1", "name": "Endrin", "names": [ "Endrin" ] }, { "compound_id": "C18125", "inchi": null, "name": "1-Acyl-sn-glycero-3-phosphoserine", "names": [ "1-Acyl-sn-glycero-3-phosphoserine" ] }, { "compound_id": "C18126", "inchi": null, "name": "1-Acyl-sn-glycero-3-phosphoglycerol", "names": [ "1-Acyl-sn-glycero-3-phosphoglycerol" ] }, { "compound_id": "C18127", "inchi": "InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1", "name": "beta-Funaltrexamine", "names": [ "beta-FNA", "beta-Funaltrexamine" ] }, { "compound_id": "C18128", "inchi": "InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1", "name": "Naltrindole", "names": [ "NTI", "Naltrindole" ] }, { "compound_id": "C18129", "inchi": null, "name": "Monolysocardiolipin", "names": [ "MLCL", "Monolysocardiolipin" ] }, { "compound_id": "C18130", "inchi": "InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1", "name": "Norbinaltorphimine", "names": [ "Norbinaltorphimine", "norBNI" ] }, { "compound_id": "C18131", "inchi": "InChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/b13-7+", "name": "Geranyl-hydroxybenzoate", "names": [ "Geranyl-hydroxybenzoate" ] }, { "compound_id": "C18132", "inchi": "InChI=1S/C16H22O3/c1-12(2)4-3-5-13(11-17)6-7-14-10-15(18)8-9-16(14)19/h4,6,8-10,17-19H,3,5,7,11H2,1-2H3/b13-6-", "name": "3''-Hydroxy-geranylhydroquinone", "names": [ "3''-Hydroxy-geranylhydroquinone" ] }, { "compound_id": "C18133", "inchi": "InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3", "name": "Deoxyshikonin", "names": [ "Deoxyshikonin" ] }, { "compound_id": "C18134", "inchi": "InChI=1S/C16H18O3/c1-11(2)4-3-5-12-8-16(19-10-12)14-9-13(17)6-7-15(14)18/h4,6-9,16H,3,5,10H2,1-2H3", "name": "Dihydroechinofuran", "names": [ "Dihydroechinofuran" ] }, { "compound_id": "C18135", "inchi": "InChI=1S/C16H20O3/c1-11(2)4-3-5-12-8-16(19-10-12)14-9-13(17)6-7-15(14)18/h4,6-9,16-18H,3,5,10H2,1-2H3", "name": "Dihydroshikonofuran", "names": [ "Dihydroshikonofuran" ] }, { "compound_id": "C18136", "inchi": "InChI=1S/C28H48N9O16P/c1-33-14-10(39)4-47-28(52-22-9(30)2-8(29)21(20(22)44)51-27-13(31)18(42)16(40)11(3-38)50-27)23(14)53-54(45,46)48-5-12-17(41)19(43)26(49-12)37-7-36-15-24(32)34-6-35-25(15)37/h6-14,16-23,26-28,33,38-44H,2-5,29-31H2,1H3,(H,45,46)(H2,32,34,35)/t8-,9+,10+,11+,12+,13+,14-,16+,17+,18+,19+,20-,21+,22-,23+,26+,27+,28+/m0/s1", "name": "2''-Adenylylgentamicin A", "names": [ "2''-Adenylylgentamicin A" ] }, { "compound_id": "C18137", "inchi": "InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H", "name": "2,2',4,4',5,5'-Hexabromodiphenyl ether", "names": [ "2,2',4,4',5,5'-Hexabromodiphenyl ether", "BDE 153" ] }, { "compound_id": "C18138", "inchi": "InChI=1S/C12H4Br6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H", "name": "2,2',4,4',5,6'-Hexabromodiphenyl ether", "names": [ "2,2',4,4',5,6'-Hexabromodiphenyl ether", "BDE 154", "PBDE 154" ] }, { "compound_id": "C18139", "inchi": "InChI=1S/C12H3Br7O/c13-4-1-5(14)9(17)8(2-4)20-12-7(16)3-6(15)10(18)11(12)19/h1-3H", "name": "2,2',3,3',4',5,6'-Heptabromodiphenyl ether", "names": [ "1,2,3,5-Tetrabromo-4-(2,3,5-tribromophenoxy)-benzene", "2,2',3,3',4',5,6'-Heptabromodiphenyl ether", "BDE 175" ] }, { "compound_id": "C18140", "inchi": "InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H", "name": "2,2',3,4,4',5',6-Heptabromodiphenyl ether", "names": [ "1,2,3,5-Tetrabromo-4-(2,4,5-tribromophenoxy)-benzene", "2,2',3,4,4',5',6-Heptabromodiphenyl ether", "BDE 183" ] }, { "compound_id": "C18141", "inchi": "InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H", "name": "Pentachlorobenzene", "names": [ "1,2,3,4,5-Pentachlorobenzene", "PCB", "Pentachlorobenzene" ] }, { "compound_id": "C18142", "inchi": "InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)", "name": "Perfluorooctanesulfonic acid", "names": [ "PFOS", "Perfluorooctanesulfonic acid", "Perfluorooctylsulfonic acid" ] }, { "compound_id": "C18143", "inchi": "InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28", "name": "Perfluorooctylsulfonyl fluoride", "names": [ "Perfluorooctylsulfonyl fluoride" ] }, { "compound_id": "C18144", "inchi": null, "name": "Metiram", "names": [ "Metiram" ] }, { "compound_id": "C18145", "inchi": "InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5?,8+,9-", "name": "trans-Nonachlor", "names": [ "trans-Nonachlor" ] }, { "compound_id": "C18146", "inchi": "InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1?,2?,3?,6?,7-,8+,9?/m1/s1", "name": "Oxychlordane", "names": [ "Oxychlordane" ] }, { "compound_id": "C18147", "inchi": "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1", "name": "Esfenvalerate", "names": [ "Esfenvalerate" ] }, { "compound_id": "C18148", "inchi": "InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12", "name": "Octachlorostyrene", "names": [ "Octachlorostyrene" ] }, { "compound_id": "C18149", "inchi": "InChI=1S/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;", "name": "Tributyltin oxide", "names": [ "TBTO", "Tributyltin oxide" ] }, { "compound_id": "C18150", "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3", "name": "n-Butylbenzene", "names": [ "n-Butylbenzene" ] }, { "compound_id": "C18151", "inchi": "InChI=1S/C55H73N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-29,31-33,36,40,51,60H,1,13-24,26,30H2,2-11H3,(H-,56,57,58,59,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1", "name": "7-Hydroxychlorophyll a", "names": [ "7-Hydroxychlorophyll a" ] }, { "compound_id": "C18152", "inchi": "InChI=1S/C35H38N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,16-17,20-21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t16?,17-,20?,21-,31+;/m0./s1", "name": "3-Vinylbacteriochlorophyllide a", "names": [ "3-Vinylbacteriochlorophyllide a" ] }, { "compound_id": "C18153", "inchi": "InChI=1S/C35H40N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-15,18-20,31,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t14?,15-,18?,19?,20-,31+;/m0./s1", "name": "3-Hydroxyethylbacteriochlorophyllide a", "names": [ "3-Hydroxyethylbacteriochlorophyllide a" ] }, { "compound_id": "C18154", "inchi": "InChI=1S/C35H38N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-13,15,18,20,31,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t15-,18?,20-,31+;/m0./s1", "name": "3-Hydroxyethylchlorophyllide a", "names": [ "3-Hydroxyethylchlorophyllide a" ] }, { "compound_id": "C18155", "inchi": "InChI=1S/C35H38N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-15,19-20,31H,8-10H2,1-7H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/t14?,15-,19?,20-,31+;/m0./s1", "name": "Bacteriochlorophyllide a", "names": [ "Bacteriochlorophyllide a" ] }, { "compound_id": "C18156", "inchi": "InChI=1S/C35H36N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h8,11-15,20,31H,9-10H2,1-7H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/b19-8-;/t14?,15-,20-,31+;/m0./s1", "name": "Bacteriochlorophyllide b", "names": [ "Bacteriochlorophyllide b" ] }, { "compound_id": "C18157", "inchi": "InChI=1S/C33H34N4O3.Mg/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H3,34,35,36,37,38,39,40);/q;+2/p-2/t17-,21-;/m0./s1", "name": "3-Vinylbacteriochlorophyllide d", "names": [ "3-Vinylbacteriochlorophyllide d" ] }, { "compound_id": "C18158", "inchi": "InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11?,12?,13-,14+/m0/s1", "name": "17-Oxosparteine", "names": [ "17-Oxosparteine" ] }, { "compound_id": "C18159", "inchi": null, "name": "Polyplatillen", "names": [ "Polyplatillen" ] }, { "compound_id": "C18160", "inchi": null, "name": "Bacteriochlorophyllide d", "names": [ "Bacteriochlorophyllide d" ] }, { "compound_id": "C18161", "inchi": null, "name": "Bacteriochlorophyllide c", "names": [ "Bacteriochlorophyllide c" ] }, { "compound_id": "C18162", "inchi": null, "name": "Bacteriochlorophyll d", "names": [ "Bacteriochlorophyll d" ] }, { "compound_id": "C18163", "inchi": null, "name": "Bacteriochlorophyll c", "names": [ "Bacteriochlorophyll c" ] }, { "compound_id": "C18164", "inchi": "InChI=1S/C20H22O5/c1-19(2)12-6-20(24)7-13(22)15(16(12)18(20)23)11-8-25-14-5-9(21)3-4-10(14)17(11)19/h3-5,8,12,15-18,21,23-24H,6-7H2,1-2H3/t12-,15+,16+,17+,18+,20+/m0/s1", "name": "Deoxymiroestrol", "names": [ "Deoxymiroestrol" ] }, { "compound_id": "C18165", "inchi": "InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1", "name": "Enterolactone", "names": [ "Enterolactone" ] }, { "compound_id": "C18166", "inchi": "InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1", "name": "Enterodiol", "names": [ "Enterodiol" ] }, { "compound_id": "C18167", "inchi": "InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1", "name": "Secoisolariciresinol", "names": [ "(-)-Secoisolariciresinol", "Secoisolariciresinol" ] }, { "compound_id": "C18168", "inchi": null, "name": "Diacylglycerylhomoserine", "names": [ "DGHS", "Diacylglycerylhomoserine" ] }, { "compound_id": "C18169", "inchi": null, "name": "Diacylglyceryl-N,N,N-trimethylhomoserine", "names": [ "DGTS", "Diacylglyceryl-N,N,N-trimethylhomoserine" ] }, { "compound_id": "C18170", "inchi": "InChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)", "name": "3-Acetamidopropanal", "names": [ "3-Acetamidopropanal" ] }, { "compound_id": "C18171", "inchi": "InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1", "name": "Resolvin E1", "names": [ "5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid", "Resolvin E1" ] }, { "compound_id": "C18172", "inchi": "InChI=1S/C8H19N3O2/c9-4-1-2-5-11-6-3-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)", "name": "Carboxyspermidine", "names": [ "2-Amino-4-[(4-aminobutyl)amino]-butanoic acid", "Carboxyspermidine" ] }, { "compound_id": "C18173", "inchi": "InChI=1S/C20H30O4/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(22)16-13-17-20(23)24/h3-4,7-12,14-15,18-19,21-22H,2,5-6,13,16-17H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19-/m1/s1", "name": "Resolvin E2", "names": [ "5S,18R-Dihydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid", "Resolvin E2" ] }, { "compound_id": "C18174", "inchi": "InChI=1S/C7H17N3O2/c8-3-1-4-10-5-2-6(9)7(11)12/h6,10H,1-5,8-9H2,(H,11,12)", "name": "Carboxynorspermidine", "names": [ "Carboxynorspermidine" ] }, { "compound_id": "C18175", "inchi": "InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3+,8-6-,9-7+,13-10+,14-11+/t17-,18?,19?/m1/s1", "name": "5,6-Epoxy-18R-HEPE", "names": [ "5,6-Epoxy,18R-hydroxy-7E,9E,11Z,14Z,16E-eicosapentaenoic acid", "5,6-Epoxy-18R-HEPE" ] }, { "compound_id": "C18176", "inchi": "InChI=1S/C20H30O5/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(25-24)16-13-17-20(22)23/h3-4,7-12,14-15,18-19,21,24H,2,5-6,13,16-17H2,1H3,(H,22,23)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19-/m1/s1", "name": "5S-Hydroperoxy-18R-HEPE", "names": [ "5S-Hydroperoxy-18R-HEPE", "5S-Hydroperoxy-18R-hydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid" ] }, { "compound_id": "C18177", "inchi": "InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m1/s1", "name": "18R-HEPE", "names": [ "18R-HEPE", "18R-Hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid" ] }, { "compound_id": "C18178", "inchi": "InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21-/m0/s1", "name": "Resolvin D1", "names": [ "7S,8R,17S-Trihydroxydocosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid", "Resolvin D1" ] }, { "compound_id": "C18179", "inchi": "InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21-/m1/s1", "name": "Resolvin D2", "names": [ "Resolvin D2" ] }, { "compound_id": "C18180", "inchi": "InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10", "name": "1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin", "names": [ "1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin", "OCDD", "Octachlorodibenzo-p-dioxin", "PCDD 75" ] }, { "compound_id": "C18181", "inchi": null, "name": "Growth hormone", "names": [ "GH", "Growth hormone", "Somatotropin" ] }, { "compound_id": "C18182", "inchi": null, "name": "Thyroid stimulating hormone", "names": [ "Pretiron", "TSH", "Thyreotrophic hormone", "Thyroid stimulating hormone", "Thyrotrophin" ] }, { "compound_id": "C18183", "inchi": null, "name": "Luteinizing hormone", "names": [ "ICSH", "Interstitial cell stimulating hormone", "LH", "Luteinizing hormone" ] }, { "compound_id": "C18184", "inchi": null, "name": "Follicle stimulating hormone", "names": [ "FSH", "Follicle stimulating hormone", "Follitropin" ] }, { "compound_id": "C18185", "inchi": null, "name": "Chorionic gonadotropin", "names": [ "Chorionic gonadotropin" ] }, { "compound_id": "C18186", "inchi": null, "name": "Gastrin-14", "names": [ "Gastrin-14", "Minigastrin" ] }, { "compound_id": "C18187", "inchi": null, "name": "Gastrin-34", "names": [ "Big gastrin", "Gastrin-34" ] }, { "compound_id": "C18188", "inchi": null, "name": "Leptin", "names": [ "Leptin" ] }, { "compound_id": "C18189", "inchi": null, "name": "Adiponectin", "names": [ "Adiponectin" ] }, { "compound_id": "C18190", "inchi": null, "name": "Resistin", "names": [ "Resistin" ] }, { "compound_id": "C18191", "inchi": "InChI=1S/C34H64O13/c1-2-3-4-5-9-12-15-18-23(19-16-13-10-7-6-8-11-14-17-20-26(37)38)44-34-32(30(42)28(40)25(22-36)46-34)47-33-31(43)29(41)27(39)24(21-35)45-33/h23-25,27-36,39-43H,2-22H2,1H3,(H,37,38)/t23-,24-,25-,27-,28-,29+,30+,31-,32?,33?,34-/m1/s1", "name": "13-Sophorosyloxydocosanoic acid", "names": [ "13-Sophorosyloxydocosanoic acid" ] }, { "compound_id": "C18192", "inchi": "InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1", "name": "Vitamin D4", "names": [ "(5Z,7E)-(3S)-9,10-Seco-5,7,10(19)-ergostatrien-3-ol", "22-Dihydroergocalciferol", "Vitamin D4" ] }, { "compound_id": "C18193", "inchi": "InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23-,26+,27-,28+,29-/m1/s1", "name": "Vitamin D5", "names": [ "(5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3beta-ol", "Vitamin D5" ] }, { "compound_id": "C18195", "inchi": "InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6-,10-9+,15-7+,16-11+", "name": "11-cis-3-Hydroxyretinal", "names": [ "11-cis-3-Hydroxyretinal" ] }, { "compound_id": "C18196", "inchi": "InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+", "name": "all-trans-3-Hydroxyretinal", "names": [ "all-trans-3-Hydroxyretinal" ] }, { "compound_id": "C18197", "inchi": null, "name": "Oxyntomodulin", "names": [ "Oxyntomodulin" ] }, { "compound_id": "C18198", "inchi": null, "name": "Proadrenomedullin N-terminal 20 peptide", "names": [ "PAMP20", "Proadrenomedullin N-terminal 20 peptide" ] }, { "compound_id": "C18199", "inchi": null, "name": "Cathelicidin", "names": [ "Cathelicidin" ] }, { "compound_id": "C18200", "inchi": null, "name": "Erythropoietin", "names": [ "EPO", "Erythropoietin" ] }, { "compound_id": "C18201", "inchi": null, "name": "Prolactin", "names": [ "PRL", "Prolactin" ] }, { "compound_id": "C18202", "inchi": "InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+", "name": "8-Methyl-6-nonenoic acid", "names": [ "8-Methyl-6-nonenoic acid" ] }, { "compound_id": "C18203", "inchi": "InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H", "name": "2,2',4,4',5-Pentabromodiphenyl ether", "names": [ "2,2',4,4',5-Pentabromodiphenyl ether", "BDE 99", "PBDE 99" ] }, { "compound_id": "C18204", "inchi": "InChI=1S/C12H6Br4O/c13-7-2-4-11(10(16)5-7)17-12-6-8(14)1-3-9(12)15/h1-6H", "name": "2,2',4,5'-Tetrabromodiphenyl ether", "names": [ "2,2',4,5'-Tetrabromodiphenyl ether", "BDE 49", "PBDE 49" ] }, { "compound_id": "C18205", "inchi": "InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H", "name": "2,2',4,4'-Tetrabromodiphenyl ether", "names": [ "2,2',4,4'-Tetrabromodiphenyl ether", "BDE 47", "PBDE 47" ] }, { "compound_id": "C18206", "inchi": "InChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9-", "name": "cis-11-Methyl-2-dodecenoic acid", "names": [ "cis-11-Methyl-2-dodecenoic acid" ] }, { "compound_id": "C18208", "inchi": null, "name": "Activin AB", "names": [ "Activin AB" ] }, { "compound_id": "C18209", "inchi": null, "name": "Activin B", "names": [ "Activin B" ] }, { "compound_id": "C18210", "inchi": null, "name": "Placental lactogen", "names": [ "Chorionic somatomammotropin hormone", "PL", "Placental lactogen" ] }, { "compound_id": "C18211", "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17-,19-,20+/m0/s1", "name": "Isopimara-7,15-diene", "names": [ "Isopimara-7,15-diene" ] }, { "compound_id": "C18212", "inchi": "InChI=1S/C27H36BrClN2O4/c1-21(12-14-23(20-29)10-5-4-8-17-28)9-6-7-11-25(32)30-18-16-24(35-3)19-27(34)31-22(2)13-15-26(31)33/h6,9,13,15,19-22H,4-5,7,10-12,14,16,18H2,1-3H3,(H,30,32)/b9-6+,23-20+,24-19+/t21?,22-/m0/s1", "name": "Jamaicamide A", "names": [ "Jamaicamide A" ] }, { "compound_id": "C18213", "inchi": "InChI=1S/C27H37ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h1,8,10,14,16,19-22H,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)/b10-8+,23-20+,24-19+/t21?,22-/m0/s1", "name": "Jamaicamide B", "names": [ "Jamaicamide B" ] }, { "compound_id": "C18214", "inchi": "InChI=1S/C27H39ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h5,8,10,14,16,19-22H,1,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)/b10-8+,23-20+,24-19+/t21?,22-/m0/s1", "name": "Jamaicamide C", "names": [ "Jamaicamide C" ] }, { "compound_id": "C18215", "inchi": "InChI=1S/C13H12O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13-16H", "name": "Bis(4-hydroxyphenyl)methanol", "names": [ "Bis(4-hydroxyphenyl)methanol" ] }, { "compound_id": "C18216", "inchi": "InChI=1S/C13H10O4/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8,14-15H", "name": "4-Hydroxyphenyl-4-hydroxybenzoate", "names": [ "4-Hydroxyphenyl-4-hydroxybenzoate" ] }, { "compound_id": "C18217", "inchi": "InChI=1S/C26H40O6/c1-31-24-21-22(16-18-23(24)27)17-19-26(30)32-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25(28)29/h16-19,21,27H,2-15,20H2,1H3,(H,28,29)/b19-17+", "name": "16-Feruloyloxypalmitate", "names": [ "16-Feruloyloxypalmitate", "16-Feruloyloxypalmitic acid" ] }, { "compound_id": "C18218", "inchi": "InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)", "name": "16-Hydroxypalmitate", "names": [ "16-Hydroxypalmitate", "16-Hydroxypalmitic acid" ] }, { "compound_id": "C18219", "inchi": "InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14,18,21H,5-11,13H2,1-4H3/t18-,19-,20+/m0/s1", "name": "Palustradienol", "names": [ "Palustradienol" ] }, { "compound_id": "C18220", "inchi": "InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-14,18H,5-11H2,1-4H3/t18-,19-,20+/m0/s1", "name": "Palustradienal", "names": [ "Palustradienal" ] }, { "compound_id": "C18221", "inchi": "InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1", "name": "Isopimaradienol", "names": [ "Isopimaradienol" ] }, { "compound_id": "C18222", "inchi": "InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1", "name": "Isopimaradienal", "names": [ "Isopimaradienal" ] }, { "compound_id": "C18223", "inchi": "InChI=1S/C20H32/c1-14-12-16-6-7-17-18(2,3)9-5-10-19(17,4)20(16)11-8-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17+,19+,20-/m1/s1", "name": "Stemar-13-ene", "names": [ "Stemar-13-ene" ] }, { "compound_id": "C18224", "inchi": "InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3/t15-,16-,17-,19-,20+/m0/s1", "name": "Stemod-13(17)-ene", "names": [ "Stemod-13(17)-ene" ] }, { "compound_id": "C18225", "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20-/m1/s1", "name": "9beta-Pimara-7,15-diene", "names": [ "9beta-Pimara-7,15-diene" ] }, { "compound_id": "C18226", "inchi": "InChI=1S/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3/t14-,16-,17-,18-,20+/m1/s1", "name": "ent-Cassa-12,15-diene", "names": [ "ent-Cassa-12,15-diene" ] }, { "compound_id": "C18227", "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19-,20+/m1/s1", "name": "ent-Sandaracopimara-8(14),15-diene", "names": [ "ent-Sandaracopimara-8(14),15-diene" ] }, { "compound_id": "C18228", "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19+,20+/m1/s1", "name": "ent-Pimara-8(14),15-diene", "names": [ "ent-Pimara-8(14),15-diene" ] }, { "compound_id": "C18229", "inchi": "InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-14,17H,6-12H2,1-5H3/t14-,17-,20+/m0/s1", "name": "Fusicocca-2,10(14)-diene", "names": [ "Fusicocca-2,10(14)-diene" ] }, { "compound_id": "C18230", "inchi": "InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1", "name": "Calcitroic acid", "names": [ "Calcitroic acid" ] }, { "compound_id": "C18231", "inchi": "InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25?,27-/m1/s1", "name": "Calcitetrol", "names": [ "Calcitetrol" ] }, { "compound_id": "C18232", "inchi": "InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-", "name": "N-formylmaleamic acid", "names": [ "N-formylmaleamic acid" ] }, { "compound_id": "C18233", "inchi": null, "name": "Cytochrome cL", "names": [ "Cytochrome cL" ] }, { "compound_id": "C18234", "inchi": null, "name": "Reduced cytochrome cL", "names": [ "Reduced cytochrome cL" ] }, { "compound_id": "C18235", "inchi": "InChI=1S/C18H32N2O13S/c1-5(23)19-6(3-34-4-22)17(31)20-8-10(25)9(24)7(2-21)32-18(8)33-16-14(29)12(27)11(26)13(28)15(16)30/h6-16,18,21-22,24-30H,2-4H2,1H3,(H,19,23)(H,20,31)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,16?,18?/m0/s1", "name": "S-(Hydroxymethyl)mycothiol", "names": [ "S-(Hydroxymethyl)mycothiol" ] }, { "compound_id": "C18236", "inchi": "InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H", "name": "1,2,3,4-Tetrachlorobenzene", "names": [ "1,2,3,4-Tetrachlorobenzene" ] }, { "compound_id": "C18237", "inchi": "InChI=1/C10H14N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-2/t2-,3+,9-;;;/m1.../s1/fC10H12N5O6PS2.Mo.2O/h23-24h,13-14,17-18H,11H2;;;/q-2;m;;", "name": "Molybdoenzyme molybdenum cofactor", "names": [ "Molybdoenzyme molybdenum cofactor" ] }, { "compound_id": "C18238", "inchi": "InChI=1S/C6H4Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h5-6,11-12H/t5-,6+", "name": "cis-Chlorobenzene dihydrodiol", "names": [ "cis-Chlorobenzene dihydrodiol" ] }, { "compound_id": "C18239", "inchi": "InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1", "name": "Precursor Z", "names": [ "Cyclic pyranopterin monophoshate", "Precursor Z", "cPMP" ] }, { "compound_id": "C18240", "inchi": "InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H", "name": "Tetrachlorocatechol", "names": [ "Tetrachloro-1,2-benzenediol", "Tetrachlorocatechol" ] }, { "compound_id": "C18241", "inchi": "InChI=1S/C6H2Cl4O4/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h(H,11,12)(H,13,14)/b3-1-,4-2-", "name": "Tetrachloro-cis,cis-muconate", "names": [ "Tetrachloro-cis,cis-muconate" ] }, { "compound_id": "C18242", "inchi": "InChI=1S/C6HCl3O4/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h(H,10,11)/b4-3+", "name": "2,3,5-Trichlorodienelactone", "names": [ "2,3,5-Trichlorodienelactone" ] }, { "compound_id": "C18243", "inchi": "InChI=1S/C6H3Cl3O5/c7-1(2(8)5(11)12)4(10)3(9)6(13)14/h3H,(H,11,12)(H,13,14)/b2-1-", "name": "2,3,5-Trichloromaleylacetate", "names": [ "2,3,5-Trichloromaleylacetate" ] }, { "compound_id": "C18244", "inchi": "InChI=1S/C6H6Cl2O5/c7-2(1-3(9)10)5(11)4(8)6(12)13/h2,4H,1H2,(H,9,10)(H,12,13)", "name": "2,4-Dichloro-3-oxoadipate", "names": [ "2,4-Dichloro-3-oxoadipate" ] }, { "compound_id": "C18245", "inchi": "InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11?,12-,14+,15+/m1/s1", "name": "8-epi-Cedrol", "names": [ "8-epi-Cedrol" ] }, { "compound_id": "C18246", "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3", "name": "1,1,1-Trichloroethane", "names": [ "1,1,1-Trichloroethane", "Methylchloroform" ] }, { "compound_id": "C18247", "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3", "name": "1,1-Dichloroethane", "names": [ "1,1-Dichloroethane" ] }, { "compound_id": "C18248", "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3", "name": "Chloroethane", "names": [ "Chloroethane", "Ethyl chloride" ] }, { "compound_id": "C18249", "inchi": "InChI=1S/C16H12O2/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(15)18)14(10)13(9)11/h1-8,15-18H/t15-,16+", "name": "cis-4,5-Dihydroxy-4,5-dihydropyrene", "names": [ "cis-4,5-Dihydro-4,5-pyrenediol", "cis-4,5-Dihydroxy-4,5-dihydropyrene" ] }, { "compound_id": "C18250", "inchi": "InChI=1S/C16H10O2/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(15)18)14(10)13(9)11/h1-8,17-18H", "name": "4,5-Dihydroxypyrene", "names": [ "4,5-Dihydroxypyrene" ] }, { "compound_id": "C18251", "inchi": "InChI=1S/C16H8O2/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(15)18)14(10)13(9)11/h1-8H", "name": "Pyrene-4,5-dione", "names": [ "4,5-Pyrenequinone", "Pyrene-4,5-dione" ] }, { "compound_id": "C18252", "inchi": "InChI=1S/C16H10O4/c17-15(18)11-5-1-3-9-7-8-10-4-2-6-12(16(19)20)14(10)13(9)11/h1-8H,(H,17,18)(H,19,20)", "name": "Phenanthrene-4,5-dicarboxylate", "names": [ "Phenanthrene-4,5-dicarboxylate" ] }, { "compound_id": "C18253", "inchi": "InChI=1S/C15H10O2/c16-15(17)13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9H,(H,16,17)", "name": "Phenanthrene-4-carboxylate", "names": [ "4-Phenanthroic acid", "Phenanthrene-4-carboxylate" ] }, { "compound_id": "C18254", "inchi": "InChI=1S/C16H10O/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-16(12)17-15/h1-8,15-16H", "name": "Pyrene-4,5-oxide", "names": [ "Pyrene-4,5-epoxide", "Pyrene-4,5-oxide" ] }, { "compound_id": "C18255", "inchi": "InChI=1S/C16H12O2/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(15)18)14(10)13(9)11/h1-8,15-18H/t15-,16-/m0/s1", "name": "trans-4,5-Dihydroxy-4,5-dihydropyrene", "names": [ "trans-4,5-Dihydroxy-4,5-dihydropyrene", "trans-4,5-Pyrenedihydrodiol" ] }, { "compound_id": "C18256", "inchi": "InChI=1S/C15H12O4/c16-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15(12,19)14(17)18/h1-8,12,16,19H,(H,17,18)/t12-,15-/m1/s1", "name": "cis-3,4-Phenanthrenedihydrodiol-4-carboxylate", "names": [ "cis-3,4-Phenanthrenedihydrodiol-4-carboxylate" ] }, { "compound_id": "C18257", "inchi": "InChI=1S/C16H8O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H", "name": "Pyrene-1,6-dione", "names": [ "1,6-Pyrenequinone", "Pyrene-1,6-dione" ] }, { "compound_id": "C18258", "inchi": "InChI=1S/C16H8O2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8H", "name": "Pyrene-1,8-dione", "names": [ "1,8-Pyrenequinone", "Pyrene-1,8-dione" ] }, { "compound_id": "C18259", "inchi": "InChI=1S/C17H12O/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10H,1H3", "name": "1-Methoxypyrene", "names": [ "1-Methoxypyrene" ] }, { "compound_id": "C18260", "inchi": "InChI=1S/C18H14O2/c1-19-15-9-5-11-4-8-14-16(20-2)10-6-12-3-7-13(15)17(11)18(12)14/h3-10H,1-2H3", "name": "1,6-Dimethoxypyrene", "names": [ "1,6-Dimethoxypyrene" ] }, { "compound_id": "C18261", "inchi": "InChI=1S/C17H12O2/c1-19-15-9-5-11-2-6-12-14(18)8-4-10-3-7-13(15)17(11)16(10)12/h2-9,18H,1H3", "name": "1-Hydroxy-6-methoxypyrene", "names": [ "1-Hydroxy-6-methoxypyrene", "6-Methoxy-1-pyrenol" ] }, { "compound_id": "C18262", "inchi": "InChI=1S/C17H12O2/c1-18-13-7-4-9-2-6-12-16-10(8-14-17(12)19-14)3-5-11(13)15(9)16/h2-8,14,17H,1H3", "name": "1-Methoxypyrene-6,7-oxide", "names": [ "1-Methoxypyrene-6,7-oxide" ] }, { "compound_id": "C18263", "inchi": "InChI=1S/C16H10O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8,17-18H", "name": "1,6-Dihydroxypyrene", "names": [ "1,6-Dihydroxypyrene", "1,6-Pyrenediol" ] }, { "compound_id": "C18264", "inchi": "InChI=1S/C16H10O2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8,17-18H", "name": "1,8-Dihydroxypyrene", "names": [ "1,8-Dihydroxypyrene", "1,8-Pyrenediol" ] }, { "compound_id": "C18265", "inchi": "InChI=1S/C16H10O2/c17-12-6-3-8-1-5-11-15-9(7-13-16(11)18-13)2-4-10(12)14(8)15/h1-7,13,16-17H", "name": "1-Hydroxypyrene-6,7-oxide", "names": [ "1-Hydroxypyrene-6,7-oxide" ] }, { "compound_id": "C18266", "inchi": "InChI=1S/C16H10O2/c17-12-6-3-8-1-2-9-7-13-16(18-13)11-5-4-10(12)14(8)15(9)11/h1-7,13,16-17H", "name": "1-Hydroxypyrene-7,8-oxide", "names": [ "1-Hydroxypyrene-7,8-oxide" ] }, { "compound_id": "C18267", "inchi": "InChI=1S/C16H10O/c1-2-9-4-5-11-8-13-16(17-13)12-7-6-10(3-1)14(9)15(11)12/h1-8,13,16H", "name": "Pyrene-1,2-oxide", "names": [ "Pyrene-1,2-oxide" ] }, { "compound_id": "C18268", "inchi": "InChI=1S/C16H10O/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9,17H", "name": "2-Hydroxypyrene", "names": [ "2-Hydroxypyrene", "2-Pyrenol" ] }, { "compound_id": "C18269", "inchi": "InChI=1S/C16H10O4S/c17-21(18,19)20-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,(H,17,18,19)", "name": "1-Pyrenylsulfate", "names": [ "1-Pyrenylsulfate" ] }, { "compound_id": "C18270", "inchi": "InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H/t19-,20+/m1/s1", "name": "Benzo[a]pyrene-cis-4,5-dihydrodiol", "names": [ "Benzo[a]pyrene-cis-4,5-dihydrodiol" ] }, { "compound_id": "C18271", "inchi": "InChI=1S/C20H12O4/c21-16(20(23)24)9-8-14-15-7-6-12-3-1-2-11-4-5-13(10-17(14)22)19(15)18(11)12/h1-10,22H,(H,23,24)/b9-8-", "name": "cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate", "names": [ "cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate" ] }, { "compound_id": "C18272", "inchi": "InChI=1S/C20H12O4/c21-16(20(23)24)9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(19(14)22)18(13)17(11)12/h1-10,22H,(H,23,24)/b9-7-", "name": "cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate", "names": [ "cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate" ] }, { "compound_id": "C18273", "inchi": "InChI=1S/C17H12O2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-8,14H,9H2,(H,18,19)", "name": "7,8-Dihydropyrene-8-carboxylate", "names": [ "1,2-Dihydropyrene-1-carboxylate", "7,8-Dihydropyrene-8-carboxylate" ] }, { "compound_id": "C18274", "inchi": "InChI=1S/C17H12O2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-8,14H,9H2,(H,18,19)", "name": "7,8-Dihydropyrene-7-carboxylate", "names": [ "1,2-Dihydropyrene-2-carboxylate", "7,8-Dihydropyrene-7-carboxylate" ] }, { "compound_id": "C18275", "inchi": "InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20+/m0/s1", "name": "Benzo[a]pyrene-cis-7,8-dihydrodiol", "names": [ "Benzo[a]pyrene-cis-7,8-dihydrodiol" ] }, { "compound_id": "C18276", "inchi": "InChI=1S/C20H14O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,16,20-22H/t16-,20-/m1/s1", "name": "Benzo[a]pyrene-cis-9,10-dihydrodiol", "names": [ "Benzo[a]pyrene-cis-9,10-dihydrodiol" ] }, { "compound_id": "C18277", "inchi": "InChI=1S/C20H12O4/c21-19(22)15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(23)24)18(14)17(11)15/h1-10H,(H,21,22)(H,23,24)", "name": "4,5-Chrysenedicarboxylate", "names": [ "4,5-Chrysenedicarboxylate" ] }, { "compound_id": "C18278", "inchi": "InChI=1S/C20H12O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,21-22H", "name": "9,10-Dihydroxybenzo[a]pyrene", "names": [ "9,10-Dihydroxybenzo[a]pyrene", "Benzo[a]pyrene-9,10-diol" ] }, { "compound_id": "C18279", "inchi": "InChI=1S/C20H12O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,21-22H", "name": "4,5-Dihydroxybenzo[a]pyrene", "names": [ "4,5-Dihydroxybenzo[a]pyrene", "Benzo[a]pyrene-4,5-diol" ] }, { "compound_id": "C18280", "inchi": "InChI=1S/C20H12O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,21-22H", "name": "11,12-Dihydroxybenzo[a]pyrene", "names": [ "11,12-Dihydroxybenzo[a]pyrene", "Benzo[a]pyrene-11,12-diol" ] }, { "compound_id": "C18281", "inchi": "InChI=1S/C19H10O2/c20-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(19(14)21-16)18(13)17(11)12/h1-10H", "name": "10-Oxabenzo[def]chrysen-9-one", "names": [ "10-Oxabenzo[def]chrysen-9-one", "9H-Pyreno[1,2-b]pyran-9-one" ] }, { "compound_id": "C18282", "inchi": "InChI=1S/C19H12O2/c20-19(21)17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h1-11H,(H,20,21)", "name": "5-Chrysenecarboxylate", "names": [ "5-Chrysenecarboxylate" ] }, { "compound_id": "C18283", "inchi": "InChI=1S/C19H12O2/c20-19(21)17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11H,(H,20,21)", "name": "4-Chrysenecarboxylate", "names": [ "4-Chrysenecarboxylate" ] }, { "compound_id": "C18284", "inchi": "InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,19-22H/t19-,20+/m1/s1", "name": "Benzo[a]pyrene-cis-11,12-dihydrodiol", "names": [ "Benzo[a]pyrene-cis-11,12-dihydrodiol" ] }, { "compound_id": "C18285", "inchi": "InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,19-22H/t19-,20-/m1/s1", "name": "Benzo[a]pyrene-trans-11,12-dihydrodiol", "names": [ "Benzo[a]pyrene-trans-11,12-dihydrodiol" ] }, { "compound_id": "C18286", "inchi": "InChI=1S/C20H12O/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15-16(11)17(13)18(14)20-19(15)21-20/h1-10,19-20H", "name": "Benzo[a]pyrene-11,12-epoxide", "names": [ "Benzo[a]pyrene-11,12-epoxide" ] }, { "compound_id": "C18287", "inchi": null, "name": "Monocyte locomotion inhibitory factor", "names": [ "MLIF", "Monocyte locomotion inhibitory factor" ] }, { "compound_id": "C18288", "inchi": null, "name": "Core protein", "names": [ "Capsid protein C", "Core protein" ] }, { "compound_id": "C18289", "inchi": null, "name": "Envelope glycoprotein E2", "names": [ "Envelope glycoprotein E2", "NS1" ] }, { "compound_id": "C18290", "inchi": null, "name": "Serine protease NS3", "names": [ "Serine protease NS3" ] }, { "compound_id": "C18291", "inchi": null, "name": "Non-structural protein 4A", "names": [ "NS4A", "Non-structural protein 4A" ] }, { "compound_id": "C18292", "inchi": null, "name": "Non-structural protein 5A", "names": [ "NS5A", "Non-structural protein 5A" ] }, { "compound_id": "C18293", "inchi": null, "name": "Nonaketamide monocyclic intermediate", "names": [ "Nonaketamide monocyclic intermediate" ] }, { "compound_id": "C18294", "inchi": null, "name": "Nonaketamide tricyclic intermediate", "names": [ "Nonaketamide tricyclic intermediate" ] }, { "compound_id": "C18295", "inchi": "InChI=1S/C19H13NO6/c20-19(26)15-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)16(23)13(8)17(24)14(9)18(15)25/h1-6,21-25H,(H2,20,26)", "name": "Pretetramid", "names": [ "Pretetramid", "Pretetramide" ] }, { "compound_id": "C18296", "inchi": "InChI=1S/C22H22N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,13-14,17,25,27-28,32-33H,1-3H3,(H2,23,31)/t13-,14+,17+,21-,22+/m1/s1", "name": "5a,11a-Dehydrooxytetracycline", "names": [ "5a,11a-Dehydrooxytetracycline" ] }, { "compound_id": "C18297", "inchi": "InChI=1S/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,16,26-28,32H,6H2,1-3H3,(H2,24,31)/t9-,16-,22-/m0/s1", "name": "Anhydrochlortetracycline", "names": [ "Anhydro-7-chlorotetracycline", "Anhydrochlortetracycline" ] }, { "compound_id": "C18298", "inchi": "InChI=1S/C22H21ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,8,15,26,28,32-33H,6H2,1-3H3,(H2,24,31)/t8-,15-,21-,22-/m0/s1", "name": "5a,11a-Dehydrochlortetracycline", "names": [ "5a,11a-Dehydro-7-chlorotetracycline", "5a,11a-Dehydrochlortetracycline", "Dehydrochlortetracycline" ] }, { "compound_id": "C18299", "inchi": "InChI=1S/C20H17ClN2O7/c1-5-6-4-7-14(22)16(26)13(19(23)29)18(28)20(7,30)17(27)11(6)15(25)12-9(24)3-2-8(21)10(5)12/h2-3,7,14,24-26,30H,4,22H2,1H3,(H2,23,29)/t7-,14-,20-/m0/s1", "name": "4-Aminoanhydrochlortetracycline", "names": [ "4-Aminoanhydro-7-chlorotetracycline", "4-Aminoanhydrochlortetracycline" ] }, { "compound_id": "C18300", "inchi": "InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3", "name": "2,4-Dichlorotoluene", "names": [ "2,4-Dichlorotoluene" ] }, { "compound_id": "C18301", "inchi": "InChI=1S/C7H8Cl2O2/c1-3-4(8)2-5(9)7(11)6(3)10/h2,6-7,10-11H,1H3/t6-,7+/m1/s1", "name": "4,6-Dichloro-3-methyl-cis-1,2-dihydroxycyclohexa-3,5-diene", "names": [ "4,6-Dichloro-3-methyl-cis-1,2-dihydroxycyclohexa-3,5-diene" ] }, { "compound_id": "C18302", "inchi": "InChI=1S/C7H6Cl2O2/c1-3-4(8)2-5(9)7(11)6(3)10/h2,10-11H,1H3", "name": "4,6-Dichloro-3-methylcatechol", "names": [ "4,6-Dichloro-3-methylcatechol" ] }, { "compound_id": "C18303", "inchi": "InChI=1S/C7H6Cl2O4/c1-3(6(10)11)4(8)2-5(9)7(12)13/h2H,1H3,(H,10,11)(H,12,13)/b4-3+,5-2+", "name": "3,5-Dichloro-2-methylmuconate", "names": [ "3,5-Dichloro-2-methylmuconate" ] }, { "compound_id": "C18304", "inchi": "InChI=1S/C7H5ClO4/c1-3(6(9)10)5-2-4(8)7(11)12-5/h2H,1H3,(H,9,10)/b5-3+", "name": "2-Chloro-5-methyl-cis-dienelactone", "names": [ "2-Chloro-5-methyl-cis-dienelactone" ] }, { "compound_id": "C18305", "inchi": "InChI=1S/C7H7ClO5/c1-3(6(10)11)5(9)2-4(8)7(12)13/h2-3H,1H3,(H,10,11)(H,12,13)/b4-2+", "name": "2-Chloro-5-methylmaleylacetate", "names": [ "2-Chloro-5-methylmaleylacetate" ] }, { "compound_id": "C18306", "inchi": "InChI=1S/C7H8O5/c1-4(7(11)12)5(8)2-3-6(9)10/h2-4H,1H3,(H,9,10)(H,11,12)/b3-2-", "name": "5-Methylmaleylacetate", "names": [ "5-Methylmaleylacetate" ] }, { "compound_id": "C18307", "inchi": "InChI=1S/C7H10O5/c1-4(7(11)12)5(8)2-3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,11,12)", "name": "2-Methyl-3-oxoadipate", "names": [ "2-Methyl-3-oxoadipate" ] }, { "compound_id": "C18308", "inchi": "InChI=1S/C7H6Cl2O4/c1-2-3(8)5(13-7(2)12)4(9)6(10)11/h4-5H,1H3,(H,10,11)", "name": "3,5-Dichloro-2-methylmuconolactone", "names": [ "3,5-Dichloro-2-methylmuconolactone" ] }, { "compound_id": "C18309", "inchi": "InChI=1S/C7H5ClO4/c1-3-6(8)4(2-5(9)10)12-7(3)11/h2H,1H3,(H,9,10)/b4-2-", "name": "3-Chloro-2-methyldienelactone", "names": [ "3-Chloro-2-methyldienelactone" ] }, { "compound_id": "C18310", "inchi": "InChI=1S/C7H7ClO5/c1-3(7(12)13)6(8)4(9)2-5(10)11/h2H2,1H3,(H,10,11)(H,12,13)/b6-3+", "name": "3-Chloro-2-methylmaleylacetate", "names": [ "3-Chloro-2-methylmaleylacetate" ] }, { "compound_id": "C18311", "inchi": "InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2-3H2,1H3,(H,8,9)", "name": "4-Methyl-3-oxoadipate-enol-lactone", "names": [ "4-Methyl-3-oxoadipate-enol-lactone" ] }, { "compound_id": "C18312", "inchi": "InChI=1S/C7H10O5/c1-4(2-6(9)10)5(8)3-7(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)", "name": "4-Methyl-3-oxoadipate", "names": [ "4-Methyl-3-oxoadipate" ] }, { "compound_id": "C18313", "inchi": null, "name": "LL-37", "names": [ "LL-37" ] }, { "compound_id": "C18314", "inchi": "InChI=1S/C8H8O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,4,6,9-10H,(H,11,12)(H,13,14)/t4-,6-/m0/s1", "name": "Phthalate 3,4-cis-dihydrodiol", "names": [ "Phthalate 3,4-cis-dihydrodiol" ] }, { "compound_id": "C18315", "inchi": "InChI=1S/C7H7NO4/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,9-10H,1H3", "name": "4-Methyl-5-nitrocatechol", "names": [ "4-Methyl-5-nitrocatechol" ] }, { "compound_id": "C18316", "inchi": "InChI=1S/C7H6O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3", "name": "2-Hydroxy-5-methylquinone", "names": [ "2-Hydroxy-5-methyl-1,4-benzoquinone", "2-Hydroxy-5-methylquinone" ] }, { "compound_id": "C18317", "inchi": "InChI=1S/C7H8O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,8-10H,1H3", "name": "2,4,5-Trihydroxytoluene", "names": [ "2,4,5-Trihydroxytoluene" ] }, { "compound_id": "C18318", "inchi": "InChI=1S/C7H8O5/c1-4(3-8)5(9)2-6(10)7(11)12/h2-3,9-10H,1H3,(H,11,12)/b5-4+,6-2+", "name": "cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate", "names": [ "cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate" ] }, { "compound_id": "C18319", "inchi": "InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)", "name": "2-Methylbutyrate", "names": [ "2-Methylbutyrate", "2-Methylbutyric acid" ] }, { "compound_id": "C18320", "inchi": "InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3", "name": "4-Amino-2-nitrotoluene", "names": [ "4-Amino-2-nitrotoluene" ] }, { "compound_id": "C18321", "inchi": "InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-", "name": "(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-Decaprenyl diphosphate", "names": [ "(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-Decaprenyl diphosphate" ] }, { "compound_id": "C18323", "inchi": "InChI=1S/C26H40N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,36-37H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8+/t14-,18-,19-,20?,24-/m1/s1", "name": "Mesaconyl-C4-CoA", "names": [ "Mesaconyl-C4-CoA" ] }, { "compound_id": "C18324", "inchi": "InChI=1S/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13?,14-,18-,19-,20?,24-/m1/s1", "name": "Methylsuccinyl-CoA", "names": [ "Methylsuccinyl-CoA", "Methylsuccinyl-coenzyme A" ] }, { "compound_id": "C18325", "inchi": "InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+", "name": "Feruloylagmatine", "names": [ "Feruloylagmatine" ] }, { "compound_id": "C18326", "inchi": "InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+", "name": "p-Coumaroylputrescine", "names": [ "p-Coumaroylputrescine" ] }, { "compound_id": "C18327", "inchi": null, "name": "7,9,12-Octaketide intermediate 1", "names": [ "7,9,12-Octaketide intermediate 1" ] }, { "compound_id": "C18328", "inchi": null, "name": "7,9,12-Octaketide intermediate 2", "names": [ "7,9,12-Octaketide intermediate 2" ] }, { "compound_id": "C18329", "inchi": null, "name": "7,9,12-Octaketide intermediate 3", "names": [ "7,9,12-Octaketide intermediate 3" ] }, { "compound_id": "C18330", "inchi": null, "name": "7,9,12-Decaketide intermediate 1", "names": [ "7,9,12-Decaketide intermediate 1" ] }, { "compound_id": "C18331", "inchi": null, "name": "7,9,12-Decaketide intermediate 2", "names": [ "7,9,12-Decaketide intermediate 2" ] }, { "compound_id": "C18332", "inchi": null, "name": "7,9,12-Decaketide intermediate 3", "names": [ "7,9,12-Decaketide intermediate 3" ] }, { "compound_id": "C18333", "inchi": null, "name": "7,9,12-Decaketide intermediate 4", "names": [ "7,9,12-Decaketide intermediate 4" ] }, { "compound_id": "C18334", "inchi": null, "name": "7,9,12-Decaketide intermediate 5", "names": [ "7,9,12-Decaketide intermediate 5" ] }, { "compound_id": "C18335", "inchi": null, "name": "7,9,12-Decaketide intermediate 6", "names": [ "7,9,12-Decaketide intermediate 6" ] }, { "compound_id": "C18336", "inchi": null, "name": "7,12-Decaketide intermediate 1", "names": [ "7,12-Decaketide intermediate 1" ] }, { "compound_id": "C18337", "inchi": null, "name": "9,14-Decaketide intermediate 1", "names": [ "9,14-Decaketide intermediate 1" ] }, { "compound_id": "C18338", "inchi": "InChI=1S/C9H8O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)(H,13,14)", "name": "5-Carboxyvanillic acid", "names": [ "4-Hydroxy-5-methoxy-1,3-benzenedicarboxylate", "4-Hydroxy-5-methoxyisophthalate", "5-Carboxyvanillate", "5-Carboxyvanillic acid" ] }, { "compound_id": "C18339", "inchi": "InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1", "name": "L-Ascorbic acid-2-glucoside", "names": [ "AA-2G", "L-Ascorbic acid-2-glucoside" ] }, { "compound_id": "C18340", "inchi": "InChI=1S/C6H9O9P.Mg/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h2,4,7-9H,1H2,(H2,11,12,13);/q;+2/p-2/t2-,4+;/m0./s1", "name": "Magnesium L-ascorbic acid-2-phosphate", "names": [ "AP", "Magnesium L-ascorbic acid-2-phosphate", "VC-PMG" ] }, { "compound_id": "C18341", "inchi": "InChI=1/C6H9O9P.3Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;/t2-,4+;;;/m0.../s1/f/h11-12H;;;", "name": "Sodium L-ascorbic acid 2-phosphate", "names": [ "Sodium L-ascorbic acid 2-phosphate" ] }, { "compound_id": "C18342", "inchi": "InChI=1S/C8H12O6/c1-2-13-7-5(11)6(4(10)3-9)14-8(7)12/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1", "name": "3-o-Ethyl-L-ascorbic acid", "names": [ "3-o-Ethyl-L-ascorbic acid", "L-ascorbic acid ethyl ester" ] }, { "compound_id": "C18343", "inchi": "InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3", "name": "4-n-Butylresorcinol", "names": [ "4-n-Butylresorcinol", "Rucinol (TN)" ] }, { "compound_id": "C18344", "inchi": "InChI=1S/C10H14N5O7P.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1", "name": "Adenosine 5'-phosphate disodium", "names": [ "Adenosine 5'-phosphate disodium" ] }, { "compound_id": "C18345", "inchi": "InChI=1S/C8H8O7/c1-15-6(10)3-4(7(11)12)2-5(9)8(13)14/h2-3,9H,1H3,(H,11,12)(H,13,14)/b4-3+,5-2+", "name": "4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate", "names": [ "4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate" ] }, { "compound_id": "C18346", "inchi": "InChI=1/C8H8O4.K/c1-12-5-2-3-6(8(10)11)7(9)4-5;/h2-4,9H,1H3,(H,10,11);/f/h10H;", "name": "4-Methoxy potassium salicylate", "names": [ "4-Methoxy potassium salicylate" ] }, { "compound_id": "C18347", "inchi": "InChI=1S/C16H14O8/c1-23-11-5-7(15(19)20)3-9(13(11)17)10-4-8(16(21)22)6-12(24-2)14(10)18/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22)", "name": "5,5'-Dehydrodivanillate", "names": [ "5,5'-Dehydrodivanillate" ] }, { "compound_id": "C18348", "inchi": "InChI=1S/C15H12O8/c1-23-11-5-7(15(21)22)3-9(13(11)18)8-2-6(14(19)20)4-10(16)12(8)17/h2-5,16-18H,1H3,(H,19,20)(H,21,22)", "name": "2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl", "names": [ "2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl" ] }, { "compound_id": "C18349", "inchi": "InChI=1S/C15H12O10/c1-25-11-5-6(13(19)20)2-8(12(11)18)9(16)3-7(14(21)22)4-10(17)15(23)24/h2-5,17-18H,1H3,(H,19,20)(H,21,22)(H,23,24)/b7-3+,10-4+", "name": "4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate", "names": [ "4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate" ] }, { "compound_id": "C18350", "inchi": "InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)", "name": "Asulam", "names": [ "Asulam" ] }, { "compound_id": "C18351", "inchi": "InChI=1S/C6H7NO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H,7H2", "name": "4-Aminocatechol", "names": [ "3,4-Dihydroxyaniline", "4-Amino-1,2-benzenediol", "4-Aminocatechol" ] }, { "compound_id": "C18352", "inchi": "InChI=1S/C10H14O2/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h6-7H,3-5H2,1-2H3", "name": "Oxocamphor", "names": [ "10-Oxocamphor", "Oxocamphor", "beta-Oxocamphor" ] }, { "compound_id": "C18353", "inchi": null, "name": "Octaketide bicyclic intermediate", "names": [ "Octaketide bicyclic intermediate" ] }, { "compound_id": "C18354", "inchi": "InChI=1S/C16H16O6/c1-8(17)14-10(6-11(18)7-13(20)21)5-9-3-2-4-12(19)15(9)16(14)22/h2-4,11,18-19H,5-7H2,1H3,(H,20,21)/t11-/m0/s1", "name": "(S)-Chiral alcohol", "names": [ "(S)-Chiral alcohol" ] }, { "compound_id": "C18355", "inchi": null, "name": "(R)-Chiral alcohol", "names": [ "(R)-Chiral alcohol" ] }, { "compound_id": "C18356", "inchi": "InChI=1S/C16H16O6/c1-16(21)14-9(6-10(22-16)7-12(18)19)5-8-3-2-4-11(17)13(8)15(14)20/h2-4,10,17,21H,5-7H2,1H3,(H,18,19)/t10-,16?/m0/s1", "name": "(S)-Hemiketal", "names": [ "(S)-Hemiketal" ] }, { "compound_id": "C18357", "inchi": null, "name": "(R)-Hemiketal", "names": [ "(R)-Hemiketal" ] }, { "compound_id": "C18358", "inchi": "InChI=1S/C16H16O7/c1-6-12-8(4-7(23-6)5-11(19)20)15(21)13-9(17)2-3-10(18)14(13)16(12)22/h2-3,6-7,17-18,21-22H,4-5H2,1H3,(H,19,20)/t6-,7+/m1/s1", "name": "DHK-OH", "names": [ "DHK-OH", "Hydroxylated dihydrokalafungin" ] }, { "compound_id": "C18359", "inchi": "InChI=1S/C22H22O10/c1-6-13-9(3-8(31-6)4-12(24)25)18(26)15-16(19(13)27)21(29)17-14(20(15)28)10-5-11(23)22(17,30)7(2)32-10/h6-8,10-11,23,28-30H,3-5H2,1-2H3,(H,24,25)/t6-,7+,8+,10+,11+,22+/m0/s1", "name": "Dihydrogranaticin", "names": [ "Dihydrogranaticin" ] }, { "compound_id": "C18360", "inchi": "InChI=1S/C16H16O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17,20-21H,5-6H2,1H3,(H,18,19)/t7-,8+/m1/s1", "name": "Dihydrokalafungin dihydroquinone form", "names": [ "DHKred", "Dihydrokalafungin dihydroquinone form" ] }, { "compound_id": "C18361", "inchi": "InChI=1S/C22H28FN3O3.CH4O3S/c1-17(27)24-18-8-9-21(22(16-18)28-2)29-15-5-10-25-11-13-26(14-12-25)20-7-4-3-6-19(20)23;1-5(2,3)4/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27);1H3,(H,2,3,4)", "name": "Mafoprazine mesylate", "names": [ "Mafoprazine mesylate" ] }, { "compound_id": "C18362", "inchi": "InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3", "name": "Tepoxalin", "names": [ "Tepoxalin" ] }, { "compound_id": "C18363", "inchi": "InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3", "name": "Firocoxib", "names": [ "Firocoxib" ] }, { "compound_id": "C18364", "inchi": "InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)", "name": "Carprofen", "names": [ "Carprofen" ] }, { "compound_id": "C18365", "inchi": "InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)", "name": "Carbetocin", "names": [ "Carbetocin" ] }, { "compound_id": "C18366", "inchi": "InChI=1S/HIO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1", "name": "Sodium iodate", "names": [ "Sodium iodate" ] }, { "compound_id": "C18367", "inchi": "InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1", "name": "Malachite green", "names": [ "Malachite green" ] }, { "compound_id": "C18368", "inchi": "InChI=1S/ClHO2/c2-1-3/h1H", "name": "Chlorine dioxide", "names": [ "Chlorine dioxide", "Chlorine peroxide" ] }, { "compound_id": "C18369", "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3", "name": "dl-Camphor", "names": [ "Camphor", "dl-Camphor" ] }, { "compound_id": "C18370", "inchi": null, "name": "Alkyldiaminoethylglycine hydrochloride", "names": [ "Alkyldiaminoethylglycine hydrochloride", "Alkylpolyaminoethylglycine hydrochloride" ] }, { "compound_id": "C18371", "inchi": "InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1", "name": "Stearyltrimethylammonium chloride", "names": [ "1-Octadecanaminium, N,N,N-trimethyl-, chloride", "Stearyltrimethylammonium chloride" ] }, { "compound_id": "C18372", "inchi": "InChI=1S/C22H30Cl2N10.2C2H4O2/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)", "name": "Chlorhexidine acetate", "names": [ "Chlorhexidine acetate" ] }, { "compound_id": "C18373", "inchi": "InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3", "name": "Tetramethrin", "names": [ "Neo-pynamin", "Phthalthrin", "Tetramethrin" ] }, { "compound_id": "C18374", "inchi": "InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1", "name": "Clostebol acetate", "names": [ "Clostebol acetate" ] }, { "compound_id": "C18375", "inchi": "InChI=1S/C22H27ClO5/c1-12(24)22(28-13(2)25)8-6-16-14-9-18(23)17-10-19(26)27-11-20(17,3)15(14)5-7-21(16,22)4/h9-10,14-16H,5-8,11H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1", "name": "Osaterone acetate", "names": [ "Osaterone acetate" ] }, { "compound_id": "C18376", "inchi": "InChI=1S/C17H26N4O3S2.ClH/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18;/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20);1H/b16-12+;", "name": "Fursultiamine hydrochloride", "names": [ "Fursultiamine hydrochloride" ] }, { "compound_id": "C18377", "inchi": "InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)/b21-15+,22-16+", "name": "Thiamine disulfide", "names": [ "Thiamine disulfide" ] }, { "compound_id": "C18378", "inchi": "InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1", "name": "Menadione sodium bisulfite", "names": [ "Menadione sodium bisulfite" ] }, { "compound_id": "C18379", "inchi": "InChI=1S/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2", "name": "Calcium propionate", "names": [ "Calcium propionate" ] }, { "compound_id": "C18380", "inchi": "InChI=1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2", "name": "Calcium levulinate anhydrous", "names": [ "Calcium levulinate anhydrous" ] }, { "compound_id": "C18381", "inchi": "InChI=1S/Ca.2HI/h;2*1H/q+2;;/p-2", "name": "Calcium iodide", "names": [ "Calcium iodide" ] }, { "compound_id": "C18382", "inchi": "InChI=1S/C2H8N2.2HI/c3-1-2-4;;/h1-4H2;2*1H", "name": "Ethylendiamine dihydroiodide", "names": [ "EDDI", "Ethylendiamine dihydroiodide" ] }, { "compound_id": "C18383", "inchi": null, "name": "Sodium chondroitin sulfate", "names": [ "Sodium chondroitin sulfate" ] }, { "compound_id": "C18384", "inchi": "InChI=1S/2C3H6O2.Mg/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2", "name": "Magnesium dipropionate", "names": [ "Magnesium dipropionate" ] }, { "compound_id": "C18385", "inchi": "InChI=1S/2Na.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2", "name": "Sodium selenite", "names": [ "Sodium selenite" ] }, { "compound_id": "C18386", "inchi": "InChI=1S/C12H13N4O4S.Na/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9;/h3-7H,13H2,1-2H3;/q-1;+1", "name": "Sulfadimethoxine sodium", "names": [ "Sulfadimethoxine sodium" ] }, { "compound_id": "C18387", "inchi": "InChI=1S/C12H13N3O4S2/c13-8-1-4-10(5-2-8)20(16,17)11-6-3-9(14)7-12(11)21(15,18)19/h1-7H,13-14H2,(H2,15,18,19)", "name": "Sulfamoyldapsone", "names": [ "Sulfamoyldapsone" ] }, { "compound_id": "C18388", "inchi": "InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)", "name": "Diminazene", "names": [ "Diminazene" ] }, { "compound_id": "C18389", "inchi": "InChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)", "name": "Nicarbazin", "names": [ "Nicarbazin" ] }, { "compound_id": "C18390", "inchi": "InChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27-75-28-24-65/h15-22,37-42,47-52H,23-36H2,1-14H3/t41-,42-,47+,48+,49+,50+,51-,52-/m1/s1", "name": "Emodepside", "names": [ "Emodepside" ] }, { "compound_id": "C18391", "inchi": "InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1", "name": "Dithiazanine iodide", "names": [ "Dithiazanine iodide" ] }, { "compound_id": "C18392", "inchi": "InChI=1S/C12H7Br4O5P/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)21-22(18,19)20/h1-4,17H,(H2,18,19,20)", "name": "Bromofenofos", "names": [ "Bromofenofos" ] }, { "compound_id": "C18393", "inchi": "InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H", "name": "Disophenol", "names": [ "2,6-Diiod-4-nitrophenol", "Disophenol" ] }, { "compound_id": "C18394", "inchi": "InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3", "name": "Anilofos", "names": [ "Anilofos" ] }, { "compound_id": "C18395", "inchi": "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3", "name": "Cadusafos", "names": [ "Cadusafos" ] }, { "compound_id": "C18396", "inchi": "InChI=1S/C8H11NO/c1-10-7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3", "name": "Methyridine", "names": [ "Methyridine" ] }, { "compound_id": "C18397", "inchi": "InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3", "name": "Cyanophos", "names": [ "Cyanophos" ] }, { "compound_id": "C18398", "inchi": "InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3", "name": "Dichlofenthion", "names": [ "Dichlofenthion" ] }, { "compound_id": "C18399", "inchi": "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)", "name": "Ethephon", "names": [ "Ethephon" ] }, { "compound_id": "C18400", "inchi": "InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3", "name": "Disulfoton", "names": [ "Disulfoton", "Ethylthiometon" ] }, { "compound_id": "C18401", "inchi": "InChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)", "name": "Fosetyl", "names": [ "Fosetyl" ] }, { "compound_id": "C18402", "inchi": "InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3", "name": "Fosthiazate", "names": [ "Fosthiazate" ] }, { "compound_id": "C18403", "inchi": "InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3", "name": "Pirimiphos-methyl", "names": [ "Pirimiphos-methyl", "Pirimiphosmethyl" ] }, { "compound_id": "C18404", "inchi": "InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3", "name": "Profenofos", "names": [ "Profenofos" ] }, { "compound_id": "C18405", "inchi": "InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3", "name": "Prothiofos", "names": [ "Prothiofos" ] }, { "compound_id": "C18406", "inchi": "InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3", "name": "Pyraclofos", "names": [ "Pyraclofos" ] }, { "compound_id": "C18407", "inchi": "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3", "name": "Tolclofos-methyl", "names": [ "Tolclofos-methyl" ] }, { "compound_id": "C18408", "inchi": "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/t18-,19+,21-/m0/s1", "name": "Acrinathrin", "names": [ "Acrinathrin" ] }, { "compound_id": "C18409", "inchi": "InChI=1S/C26H21Cl2NO4/c1-2-31-20-13-11-19(12-14-20)25(17-26(25,27)28)24(30)33-23(16-29)18-7-6-10-22(15-18)32-21-8-4-3-5-9-21/h3-15,23H,2,17H2,1H3", "name": "Cycloprothrin", "names": [ "Cycloprothrin" ] }, { "compound_id": "C18410", "inchi": "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3", "name": "Etofenprox", "names": [ "Etofenprox" ] }, { "compound_id": "C18411", "inchi": "InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3", "name": "Fenpropathrin", "names": [ "Fenpropathrin" ] }, { "compound_id": "C18412", "inchi": "InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3", "name": "Silafluofen", "names": [ "Silafluofen" ] }, { "compound_id": "C18413", "inchi": "InChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3", "name": "Tralomethrin", "names": [ "Tralomethrin" ] }, { "compound_id": "C18414", "inchi": "InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-", "name": "Alanycarb", "names": [ "Alanycarb" ] }, { "compound_id": "C18415", "inchi": "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1", "name": "Benthiavalicarb isopropyl", "names": [ "Benthiavalicarb isopropyl" ] }, { "compound_id": "C18416", "inchi": "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3", "name": "Carbosulfan", "names": [ "Carbosulfan" ] }, { "compound_id": "C18417", "inchi": "InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)", "name": "Desmedipham", "names": [ "Desmedipham" ] }, { "compound_id": "C18418", "inchi": "InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)", "name": "Isoprocarb", "names": [ "Isoprocarb" ] }, { "compound_id": "C18419", "inchi": "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-", "name": "Oxamyl", "names": [ "Oxamyl" ] }, { "compound_id": "C18420", "inchi": "InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)", "name": "Phenmedipham", "names": [ "Phenmedipham" ] }, { "compound_id": "C18421", "inchi": "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H", "name": "Propamocarb hydrochloride", "names": [ "Propamocarb hydrochloride" ] }, { "compound_id": "C18422", "inchi": "InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3", "name": "Pyributicarb", "names": [ "Pyributicarb" ] }, { "compound_id": "C18423", "inchi": "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7-,12-8-", "name": "Thiodicarb", "names": [ "Thiodicarb" ] }, { "compound_id": "C18424", "inchi": "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1", "name": "Metam-sodium", "names": [ "Carbam", "Metam-sodium" ] }, { "compound_id": "C18425", "inchi": "InChI=1S/C17H19ClN2O/c1-17(2,14-9-4-3-5-10-14)20-16(21)19-12-13-8-6-7-11-15(13)18/h3-11H,12H2,1-2H3,(H2,19,20,21)", "name": "Cumyluron", "names": [ "Cumyluron" ] }, { "compound_id": "C18426", "inchi": "InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)", "name": "Chlorfluazuron", "names": [ "Chlorfluazuron" ] }, { "compound_id": "C18427", "inchi": "InChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20)", "name": "Daimuron", "names": [ "Daimuron" ] }, { "compound_id": "C18428", "inchi": "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)", "name": "Diuron", "names": [ "Diuron" ] }, { "compound_id": "C18429", "inchi": "InChI=1S/C18H22FN5O8S/c1-10(19)16(32-14(25)9-29-2)15-11(6-5-7-20-15)33(27,28)24-18(26)23-17-21-12(30-3)8-13(22-17)31-4/h5-8,10,16H,9H2,1-4H3,(H2,21,22,23,24,26)", "name": "Flucetosulfuron", "names": [ "Flucetosulfuron" ] }, { "compound_id": "C18430", "inchi": "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)", "name": "Flufenoxuron", "names": [ "Flufenoxuron" ] }, { "compound_id": "C18431", "inchi": "InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22);/q;+1/p-1", "name": "Iodosulfuron-methyl-sodium", "names": [ "Iodosulfuron-methyl sodium salt", "Iodosulfuron-methyl-sodium" ] }, { "compound_id": "C18432", "inchi": "InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)", "name": "Isouron", "names": [ "Isouron" ] }, { "compound_id": "C18433", "inchi": "InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)", "name": "Karbutilate", "names": [ "Karbutilate" ] }, { "compound_id": "C18434", "inchi": "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)", "name": "Lufenuron", "names": [ "Lufenuron" ] }, { "compound_id": "C18435", "inchi": "InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)", "name": "Siduron", "names": [ "Siduron" ] }, { "compound_id": "C18436", "inchi": "InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)", "name": "Tebuthiuron", "names": [ "Tebuthiuron" ] }, { "compound_id": "C18437", "inchi": "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)", "name": "Teflubenzuron", "names": [ "Teflubenzuron" ] }, { "compound_id": "C18438", "inchi": "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)", "name": "Azimsulfuron", "names": [ "Azimsulfuron" ] }, { "compound_id": "C18439", "inchi": "InChI=1S/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24)", "name": "Cyclosulfamuron", "names": [ "Cyclosulfamuron" ] }, { "compound_id": "C18440", "inchi": "InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)", "name": "Ethoxysulfuron", "names": [ "Ethoxysulfuron" ] }, { "compound_id": "C18441", "inchi": "InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)", "name": "Flazasulfuron", "names": [ "Flazasulfuron" ] }, { "compound_id": "C18442", "inchi": "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)", "name": "Halosulfuron-methyl", "names": [ "Halosulfuron-methyl" ] }, { "compound_id": "C18443", "inchi": "InChI=1S/C14H13ClN6O5S/c1-25-9-7-10(26-2)18-13(17-9)19-14(22)20-27(23,24)12-11(15)16-8-5-3-4-6-21(8)12/h3-7H,1-2H3,(H2,17,18,19,20,22)", "name": "Imazosulfuron", "names": [ "Imazosulfuron" ] }, { "compound_id": "C18444", "inchi": "InChI=1S/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)", "name": "Pyrazosulfuron-ethyl", "names": [ "Pyrazosulfuron-ethyl" ] }, { "compound_id": "C18445", "inchi": "InChI=1S/CCl3NO2/c2-1(3,4)5(6)7", "name": "Chloropicrin", "names": [ "Chloropicrin" ] }, { "compound_id": "C18446", "inchi": "InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18", "name": "Dienochlor", "names": [ "Dienochlor" ] }, { "compound_id": "C18447", "inchi": "InChI=1S/CH3Br/c1-2/h1H3", "name": "Methyl bromide", "names": [ "Methyl bromide" ] }, { "compound_id": "C18448", "inchi": "InChI=1S/CH3I/c1-2/h1H3", "name": "Methyl iodide", "names": [ "Methyl iodide" ] }, { "compound_id": "C18449", "inchi": "InChI=1S/C4H8N2S4.2H3N/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);2*1H3", "name": "Amobam", "names": [ "Amobam" ] }, { "compound_id": "C18450", "inchi": "InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2", "name": "Propineb", "names": [ "Propineb" ] }, { "compound_id": "C18451", "inchi": "InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H", "name": "Tetradifon", "names": [ "Tetradifon" ] }, { "compound_id": "C18452", "inchi": "InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3", "name": "Benfuresate", "names": [ "Benfuresate" ] }, { "compound_id": "C18453", "inchi": "InChI=1/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/f/h24H;", "name": "Bispyribac-sodium", "names": [ "Bispyribac-sodium" ] }, { "compound_id": "C18454", "inchi": "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)", "name": "Chlorantraniliprole", "names": [ "Chlorantraniliprole" ] }, { "compound_id": "C18455", "inchi": "InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3", "name": "Chlorfenapyr", "names": [ "Chlorfenapyr" ] }, { "compound_id": "C18456", "inchi": "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3", "name": "Cyproconazole", "names": [ "Cyproconazole" ] }, { "compound_id": "C18457", "inchi": "InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3", "name": "Dazomet", "names": [ "Dazomet" ] }, { "compound_id": "C18458", "inchi": "InChI=1S/C11H8Cl2N2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h2-5H,1H3,(H,15,16)", "name": "Diclomezine", "names": [ "Diclomezine" ] }, { "compound_id": "C18459", "inchi": "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3", "name": "Difenoconazole", "names": [ "Difenoconazole" ] }, { "compound_id": "C18460", "inchi": "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3", "name": "Echlomezole", "names": [ "Echlomezole", "Etridiazole" ] }, { "compound_id": "C18461", "inchi": "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2", "name": "Fenbuconazole", "names": [ "Fenbuconazole" ] }, { "compound_id": "C18462", "inchi": "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H", "name": "Fludioxonil", "names": [ "Fludioxonil" ] }, { "compound_id": "C18463", "inchi": "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)", "name": "Flonicamid", "names": [ "Flonicamid" ] }, { "compound_id": "C18464", "inchi": "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)", "name": "Fluopicolide", "names": [ "Fluopicolide" ] }, { "compound_id": "C18465", "inchi": "InChI=1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3", "name": "Flurprimidol", "names": [ "Flurprimidol" ] }, { "compound_id": "C18466", "inchi": "InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3", "name": "Hexaconazole", "names": [ "Hexaconazole" ] }, { "compound_id": "C18467", "inchi": "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1", "name": "Hexythiazox", "names": [ "Hexythiazox" ] }, { "compound_id": "C18468", "inchi": "InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2/b23-17-", "name": "Imibenconazole", "names": [ "Imibenconazole" ] }, { "compound_id": "C18469", "inchi": "InChI=1S/C11H21N4O2PS/c1-4-9-19-18(16,17-6-3)15-8-7-14(5-2)11(15)13-10-12/h4-9H2,1-3H3/b13-11+", "name": "Imicyafos", "names": [ "Imicyafos" ] }, { "compound_id": "C18470", "inchi": "InChI=1S/C20H17ClO3/c1-2-19(17(22)15-8-3-4-9-16(15)18(19)23)11-20(12-24-20)13-6-5-7-14(21)10-13/h3-10H,2,11-12H2,1H3", "name": "Indanofan", "names": [ "Indanofan" ] }, { "compound_id": "C18471", "inchi": "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3", "name": "Ipconazole", "names": [ "Ipconazole" ] }, { "compound_id": "C18472", "inchi": "InChI=1S/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1", "name": "L-Capreomycidine", "names": [ "(2S,3R)-Capreomycidine", "L-Capreomycidine" ] }, { "compound_id": "C18473", "inchi": "InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1", "name": "beta-Hydroxyarginine", "names": [ "(2S,3S)-Hydroxyarginine", "(3S)-Hydroxy-(2S)-arginine", "beta-Hydroxyarginine" ] }, { "compound_id": "C18474", "inchi": "InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)", "name": "Maleic hydrazide", "names": [ "Maleic hydrazide" ] }, { "compound_id": "C18475", "inchi": "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1", "name": "Mepiquat chloride", "names": [ "Mepiquat chloride" ] }, { "compound_id": "C18476", "inchi": "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3", "name": "Metconazole", "names": [ "Metconazole" ] }, { "compound_id": "C18477", "inchi": "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3", "name": "Myclobutanil", "names": [ "Myclobutanil" ] }, { "compound_id": "C18478", "inchi": "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)", "name": "Oxyquinoline sulfate", "names": [ "Oxyquinoline sulfate" ] }, { "compound_id": "C18479", "inchi": "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14?/m0/s1", "name": "Paclobutrazol", "names": [ "Paclobutrazol" ] }, { "compound_id": "C18480", "inchi": "InChI=1S/C18H23N3O4/c1-3-5-6-11-25-17(22)16(4-2)21(13-15-8-7-12-24-15)18(23)20-10-9-19-14-20/h3,7-10,12,14,16H,1,4-6,11,13H2,2H3", "name": "Pefurazoate", "names": [ "Pefurazoate" ] }, { "compound_id": "C18481", "inchi": "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)", "name": "Penoxsulam", "names": [ "Penoxsulam" ] }, { "compound_id": "C18482", "inchi": "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)", "name": "Penthiopyrad", "names": [ "Penthiopyrad" ] }, { "compound_id": "C18483", "inchi": "InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2", "name": "Probenazole", "names": [ "Probenazole" ] }, { "compound_id": "C18484", "inchi": "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2", "name": "Pyridalyl", "names": [ "Pyridalyl" ] }, { "compound_id": "C18485", "inchi": "InChI=1S/C15H14N2O4S/c1-8-9-5-4-6-10(13(9)14(18)21-8)22-15-16-11(19-2)7-12(17-15)20-3/h4-8H,1-3H3", "name": "Pyriftalid", "names": [ "Pyriftalid" ] }, { "compound_id": "C18486", "inchi": "InChI=1S/C17H19N3O6/c1-10(20-25-5)11-7-6-8-12(15(11)16(21)24-4)26-17-18-13(22-2)9-14(19-17)23-3/h6-9H,1-5H3/b20-10+", "name": "Pyriminobac-methyl", "names": [ "Pyriminobac-methyl" ] }, { "compound_id": "C18487", "inchi": "InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2", "name": "Pyroquilon", "names": [ "Pyroquilon" ] }, { "compound_id": "C18488", "inchi": "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3", "name": "Spiromesifen", "names": [ "Spiromesifen" ] }, { "compound_id": "C18489", "inchi": "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3", "name": "Tebuconazole", "names": [ "Tebuconazole" ] }, { "compound_id": "C18490", "inchi": "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2", "name": "Tetraconazole", "names": [ "Tetraconazole" ] }, { "compound_id": "C18491", "inchi": "InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)", "name": "Tolfenpyrad", "names": [ "Tolfenpyrad" ] }, { "compound_id": "C18492", "inchi": "InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3", "name": "Tricyclazole", "names": [ "Tricyclazole" ] }, { "compound_id": "C18493", "inchi": "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3/b21-14+", "name": "Triflumizole", "names": [ "Triflumizole" ] }, { "compound_id": "C18494", "inchi": "InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+/t14-/m1/s1", "name": "Uniconazole P", "names": [ "Uniconazole P" ] }, { "compound_id": "C18495", "inchi": "InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3", "name": "Etoxazole", "names": [ "Etoxazole" ] }, { "compound_id": "C18496", "inchi": "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3", "name": "Oxadiazon", "names": [ "Oxadiazon" ] }, { "compound_id": "C18497", "inchi": "InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3", "name": "Cafenstrole", "names": [ "Cafenstrole" ] }, { "compound_id": "C18498", "inchi": "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+", "name": "Cymoxanil", "names": [ "Cymoxanil" ] }, { "compound_id": "C18499", "inchi": "InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3", "name": "Dimethenamid", "names": [ "Dimethenamid" ] }, { "compound_id": "C18500", "inchi": "InChI=1S/C16H15Cl2NO3/c1-2-21-10-22-12-8-6-11(7-9-12)16(20)19-14-5-3-4-13(17)15(14)18/h3-9H,2,10H2,1H3,(H,19,20)", "name": "Etobenzanid", "names": [ "Etobenzanid" ] }, { "compound_id": "C18501", "inchi": "InChI=1S/C16H20ClN5O2/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17/h6-7,10-12H,2-5,8-9H2,1H3", "name": "Fentrazamide", "names": [ "Fentrazamide" ] }, { "compound_id": "C18502", "inchi": "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)", "name": "Flutolanil", "names": [ "Flutolanil" ] }, { "compound_id": "C18503", "inchi": "InChI=1S/C17H20ClN3O2/c1-9-13(15(18)21(5)20-9)16(22)19-12-8-6-7-11-14(12)10(2)23-17(11,3)4/h6-8,10H,1-5H3,(H,19,22)", "name": "Furametpyr", "names": [ "Furametpyr" ] }, { "compound_id": "C18504", "inchi": "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)", "name": "Isoxaben", "names": [ "Isoxaben" ] }, { "compound_id": "C18505", "inchi": "InChI=1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)", "name": "Thifluzamide", "names": [ "Thifluzamide" ] }, { "compound_id": "C18506", "inchi": "InChI=1S/C18H22O3/c1-6-7-13-8-9-14(21-13)11-20-17(19)16-15(10-12(2)3)18(16,4)5/h1,8-10,15-16H,7,11H2,2-5H3", "name": "Furamethrin", "names": [ "Furamethrin" ] }, { "compound_id": "C18507", "inchi": "InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+", "name": "Acetamiprid", "names": [ "Acetamiprid" ] }, { "compound_id": "C18508", "inchi": "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)", "name": "Clothianidin", "names": [ "Clothianidin" ] }, { "compound_id": "C18509", "inchi": "InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)", "name": "Dinotefuran", "names": [ "Dinotefuran" ] }, { "compound_id": "C18510", "inchi": "InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3", "name": "Prallethrin", "names": [ "Prallethrin" ] }, { "compound_id": "C18511", "inchi": "InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+", "name": "Nitenpyram", "names": [ "Nitenpyram" ] }, { "compound_id": "C18512", "inchi": "InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-", "name": "Thiacloprid", "names": [ "Thiacloprid" ] }, { "compound_id": "C18513", "inchi": "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+", "name": "Thiamethoxam", "names": [ "Thiamethoxam" ] }, { "compound_id": "C18514", "inchi": "InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H", "name": "Chlorophacinone", "names": [ "Chlorophacinone" ] }, { "compound_id": "C18515", "inchi": "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)", "name": "Chromafenozide", "names": [ "Chromafenozide" ] }, { "compound_id": "C18516", "inchi": "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)", "name": "Cyflufenamid", "names": [ "Cyflufenamid" ] }, { "compound_id": "C18517", "inchi": "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3", "name": "Cyflumetofen", "names": [ "Cyflumetofen" ] }, { "compound_id": "C18518", "inchi": "InChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)/t9-,12?/m1/s1", "name": "Diclocymet", "names": [ "Diclocymet" ] }, { "compound_id": "C18519", "inchi": "InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)", "name": "Fenoxanil", "names": [ "Fenoxanil" ] }, { "compound_id": "C18520", "inchi": "InChI=1S/C23H22F7IN2O4S/c1-12-9-14(21(24,22(25,26)27)23(28,29)30)6-8-17(12)32-18(34)13-5-7-16(31)15(10-13)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)", "name": "Flubendiamide", "names": [ "Flubendiamide" ] }, { "compound_id": "C18521", "inchi": "InChI=1S/C13H7Cl2F3N2O4S/c14-10-3-2-8(6-9(10)13(16,17)18)25(23,24)19-12-4-1-7(20(21)22)5-11(12)15/h1-6,19H", "name": "Flusulfamide", "names": [ "Flusulfamide" ] }, { "compound_id": "C18522", "inchi": "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)", "name": "Mandipropamid", "names": [ "Mandipropamid" ] }, { "compound_id": "C18523", "inchi": "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-", "name": "Metaflumizone", "names": [ "Metaflumizone" ] }, { "compound_id": "C18524", "inchi": "InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3/b13-10+", "name": "Empenthrin", "names": [ "Empenthrin" ] }, { "compound_id": "C18525", "inchi": "InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)", "name": "Methoxyfenozide", "names": [ "Methoxyfenozide" ] }, { "compound_id": "C18526", "inchi": "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)", "name": "Tebufenozide", "names": [ "Tebufenozide" ] }, { "compound_id": "C18527", "inchi": "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)", "name": "Fluazifop", "names": [ "Fluazifop" ] }, { "compound_id": "C18528", "inchi": "InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)", "name": "MCPA", "names": [ "(2-Methyl-4-chlorophenoxy)acetic acid", "MCPA" ] }, { "compound_id": "C18529", "inchi": "InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)", "name": "2-Methyl-4-chlorophenoxybutyric acid", "names": [ "2-Methyl-4-chlorophenoxybutyric acid", "MCPB" ] }, { "compound_id": "C18530", "inchi": "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3", "name": "Quizalofop-ethyl", "names": [ "Quizalofop-ethyl" ] }, { "compound_id": "C18531", "inchi": "InChI=1S/C16H15Cl2NO2/c1-10-14(17)8-13(9-15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)", "name": "Clomeprop", "names": [ "Clomeprop" ] }, { "compound_id": "C18532", "inchi": "InChI=1S/C11H11ClN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)", "name": "Ethychlozate", "names": [ "Ethychlozate" ] }, { "compound_id": "C18533", "inchi": "InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)", "name": "alpha-Naphthylacetamide", "names": [ "1-Naphthaleneacetamide", "alpha-Naphthylacetamide" ] }, { "compound_id": "C18534", "inchi": "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1", "name": "1-Naphthaleneacetic acid sodium salt", "names": [ "1-Naphthaleneacetic acid sodium salt" ] }, { "compound_id": "C18535", "inchi": "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3", "name": "Acequinocyl", "names": [ "Acequinocyl" ] }, { "compound_id": "C18536", "inchi": "InChI=1S/C22H19ClO4S2/c1-29(26,27)16-9-10-17(18(23)12-16)21(25)19-20(24)13-7-8-14(11-13)22(19)28-15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3", "name": "Benzobicyclon", "names": [ "Benzobicyclon" ] }, { "compound_id": "C18537", "inchi": "InChI=1S/C11H21N5S/c1-6-12-9-14-10(13-8(4)7(2)3)16-11(15-9)17-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)", "name": "Dimethametryn", "names": [ "Dimethametryn" ] }, { "compound_id": "C18538", "inchi": "InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1", "name": "Prohydrojasmon", "names": [ "Prohydrojasmon" ] }, { "compound_id": "C18539", "inchi": "InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+", "name": "Sethoxydim", "names": [ "Sethoxydim" ] }, { "compound_id": "C18540", "inchi": "InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+", "name": "Tepraloxydim", "names": [ "Tepraloxydim" ] }, { "compound_id": "C18541", "inchi": "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-", "name": "Trinexapac-ethyl", "names": [ "Trinexapac-ethyl" ] }, { "compound_id": "C18542", "inchi": "InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)", "name": "Prometryn", "names": [ "Prometryn" ] }, { "compound_id": "C18543", "inchi": "InChI=1S/C19H14ClF5N4O2/c20-14-7-6-13(8-12(14)9-31-10-18(21,22)19(23,24)25)29-17(11-4-2-1-3-5-11)27-16(28-29)15(26)30/h1-8H,9-10H2,(H2,26,30)", "name": "Flupoxam", "names": [ "Flupoxam" ] }, { "compound_id": "C18544", "inchi": "InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3", "name": "Simeconazole", "names": [ "Simeconazole" ] }, { "compound_id": "C18545", "inchi": "InChI=1S/C24H31N3O2/c1-15-16(2)26-27(9)20(15)21(29-22(28)24(6,7)8)19(14-25)17-10-12-18(13-11-17)23(3,4)5/h10-13H,1-9H3/b21-19-", "name": "Cyenopyrafen", "names": [ "Cyenopyrafen" ] }, { "compound_id": "C18546", "inchi": "InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H", "name": "Ioxynil", "names": [ "Ioxynil" ] }, { "compound_id": "C18547", "inchi": "InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)", "name": "Boscalid", "names": [ "Boscalid" ] }, { "compound_id": "C18548", "inchi": "InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)", "name": "Mepronil", "names": [ "Mepronil" ] }, { "compound_id": "C18549", "inchi": "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)", "name": "Diflufenican", "names": [ "Diflufenican" ] }, { "compound_id": "C18550", "inchi": "InChI=1S/C11H10ClN3OS/c1-6-3-4-8(5-9(6)12)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16)", "name": "Tiadinil", "names": [ "Tiadinil" ] }, { "compound_id": "C18551", "inchi": "InChI=1S/C10H4Cl2FNO2/c11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h1-4H", "name": "Fluoroimide", "names": [ "Fluoroimide" ] }, { "compound_id": "C18552", "inchi": "InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3", "name": "Ethiprole", "names": [ "Ethiprole" ] }, { "compound_id": "C18553", "inchi": "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3", "name": "Spirodiclofen", "names": [ "Spirodiclofen" ] }, { "compound_id": "C18554", "inchi": "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3", "name": "Pyraflufen-ethyl", "names": [ "Pyraflufen-ethyl" ] }, { "compound_id": "C18555", "inchi": "InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3", "name": "Benzofenap", "names": [ "Benzofenap" ] }, { "compound_id": "C18556", "inchi": "InChI=1S/C20H16Cl2N2O3/c1-12-18(19(26)15-9-8-14(21)10-16(15)22)20(24(2)23-12)27-11-17(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3", "name": "Pyrazoxyfen", "names": [ "Pyrazoxyfen" ] }, { "compound_id": "C18557", "inchi": "InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1", "name": "Milbemectin", "names": [ "Milbemectin" ] }, { "compound_id": "C18558", "inchi": "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+", "name": "Azoxystrobin", "names": [ "Azoxystrobin" ] }, { "compound_id": "C18559", "inchi": "InChI=1S/C16H16N2O3/c1-17-16(19)15(18-20-2)13-10-6-7-11-14(13)21-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,17,19)/b18-15+", "name": "Metominostrobin", "names": [ "Metominostrobin" ] }, { "compound_id": "C18560", "inchi": "InChI=1S/C18H25N5O5/c1-12(20-25-4)16(22-26-5)13(2)21-28-11-14-9-7-8-10-15(14)17(23-27-6)18(24)19-3/h7-10H,11H2,1-6H3,(H,19,24)/b20-12+,21-13+,22-16+,23-17+", "name": "Orysastrobin", "names": [ "Orysastrobin" ] }, { "compound_id": "C18561", "inchi": "InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-9-4-3-6-14(17)13-27-18-10-11-22(21-18)16-8-5-7-15(20)12-16/h3-12H,13H2,1-2H3", "name": "Pyraclostrobin", "names": [ "Pyraclostrobin" ] }, { "compound_id": "C18562", "inchi": "InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+", "name": "Trifloxystrobin", "names": [ "Trifloxystrobin" ] }, { "compound_id": "C18563", "inchi": "InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3", "name": "Bensultap", "names": [ "Bensultap" ] }, { "compound_id": "C18564", "inchi": "InChI=1S/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3", "name": "Glyphosate-isopropylammonium", "names": [ "Glyphosate-isopropylammonium" ] }, { "compound_id": "C18565", "inchi": "InChI=1S/C3H8NO5P.H3N/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H3", "name": "Glyphosate-monoammonium", "names": [ "Glyphosate-monoammonium" ] }, { "compound_id": "C18566", "inchi": "InChI=1S/Ca.O2/c;1-2/q+2;-2", "name": "Calcium peroxide", "names": [ "Calcium peroxide" ] }, { "compound_id": "C18567", "inchi": "InChI=1S/H2O4S.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2", "name": "Thallium sulfate", "names": [ "Thallium sulfate" ] }, { "compound_id": "C18568", "inchi": "InChI=1S/C18H41N7.3C2H4O2/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22;3*1-2(3)4/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25);3*1H3,(H,3,4)", "name": "Iminoctadine acetate", "names": [ "Iminoctadine acetate" ] }, { "compound_id": "C18569", "inchi": "InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1", "name": "Indoxacarb", "names": [ "Indoxacarb" ] }, { "compound_id": "C18570", "inchi": "InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2", "name": "Chloridazon", "names": [ "Chloridazon" ] }, { "compound_id": "C18571", "inchi": "InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3", "name": "Oxaziclomefone", "names": [ "Oxaziclomefone" ] }, { "compound_id": "C18572", "inchi": "InChI=1S/2C19H24ClN3O2.C4H4O4/c2*1-18(2)13-25-19(3,23(18)17(24)22-12-11-21-14-22)10-4-5-15-6-8-16(20)9-7-15;5-3(6)1-2-4(7)8/h2*6-9,11-12,14H,4-5,10,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+", "name": "Oxpoconazole fumarate", "names": [ "Oxpoconazole fumarate" ] }, { "compound_id": "C18573", "inchi": "InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3", "name": "Cyazofamid", "names": [ "Cyazofamid" ] }, { "compound_id": "C18574", "inchi": "InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H", "name": "Dithianon", "names": [ "Dithianon" ] }, { "compound_id": "C18575", "inchi": "InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H", "name": "Quinoxaline", "names": [ "Quinoxaline" ] }, { "compound_id": "C18576", "inchi": "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H", "name": "Clofentezine", "names": [ "Clofentezine" ] }, { "compound_id": "C18577", "inchi": "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2", "name": "Diquat", "names": [ "Diquat" ] }, { "compound_id": "C18578", "inchi": "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)", "name": "Fluazinam", "names": [ "Fluazinam" ] }, { "compound_id": "C18579", "inchi": "InChI=1S/C15H18N4/c1-10-7-5-6-8-14(10)13(4)18-19-15-16-11(2)9-12(3)17-15/h5-9H,1-4H3,(H,16,17,19)/b18-13-", "name": "Ferimzone", "names": [ "(Z)-Ferimzone", "Ferimzone" ] }, { "compound_id": "C18580", "inchi": "InChI=1S/C18H10Cl2F5N5S/c19-11-5-9(18(23,24)25)6-12(20)14(11)30-16(28-8-10-3-1-2-4-27-10)15(31-17(21)22)13(7-26)29-30/h1-6,17,28H,8H2", "name": "Pyriprole", "names": [ "Pyriprole" ] }, { "compound_id": "C18581", "inchi": "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3", "name": "Amisulbrom", "names": [ "Amisulbrom" ] }, { "compound_id": "C18582", "inchi": "InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3", "name": "Butralin", "names": [ "Butralin" ] }, { "compound_id": "C18583", "inchi": "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+", "name": "Dimethomorph", "names": [ "Dimethomorph" ] }, { "compound_id": "C18584", "inchi": "InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2", "name": "Quinoclamin", "names": [ "Quinoclamin" ] }, { "compound_id": "C18585", "inchi": "InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1", "name": "Chlormequat", "names": [ "Chlormequat" ] }, { "compound_id": "C18586", "inchi": "InChI=1S/2CH2O2.Ca/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2", "name": "Calcium formate", "names": [ "Calcium formate", "Formic acid, calcium salt" ] }, { "compound_id": "C18587", "inchi": "InChI=1S/C2H3NS/c1-3-2-4/h1H3", "name": "Methyl isothiocyanate", "names": [ "Methyl isothiocyanate" ] }, { "compound_id": "C18588", "inchi": "InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1", "name": "Sodium fluoroacetate", "names": [ "Sodium fluoroacetate", "Sodium monofluoroacetate" ] }, { "compound_id": "C18589", "inchi": "InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)", "name": "Bifenazate", "names": [ "Bifenazate" ] }, { "compound_id": "C18590", "inchi": "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+", "name": "Pymetrozine", "names": [ "Pymetrozine" ] }, { "compound_id": "C18591", "inchi": "InChI=1S/C22H18N2O4/c1-22(16-9-8-14-19(15-16)27-18-12-6-3-7-13-18)20(25)24(21(26)28-22)23-17-10-4-2-5-11-17/h2-15,23H,1H3", "name": "Famoxadone", "names": [ "Famoxadone" ] }, { "compound_id": "C18592", "inchi": "InChI=1S/C17H17ClFNO4/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3", "name": "Pentoxazone", "names": [ "Pentoxazone" ] }, { "compound_id": "C18593", "inchi": "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)", "name": "Fenhexamid", "names": [ "Fenhexamid" ] }, { "compound_id": "C18594", "inchi": "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1", "name": "Bentazone-sodium", "names": [ "Bentazone-sodium" ] }, { "compound_id": "C18595", "inchi": "InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+", "name": "Fluacrypyrim", "names": [ "Fluacrypyrim" ] }, { "compound_id": "C18596", "inchi": "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2", "name": "Bromadiolone", "names": [ "Bromadiolone" ] }, { "compound_id": "C18597", "inchi": "InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)", "name": "Dicamba", "names": [ "Dicamba" ] }, { "compound_id": "C18598", "inchi": "InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)", "name": "Imazamox", "names": [ "Imazamox" ] }, { "compound_id": "C18599", "inchi": "InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3", "name": "Coumafuryl", "names": [ "Coumafuryl", "Fumarin" ] }, { "compound_id": "C18600", "inchi": "InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)", "name": "Dalapon", "names": [ "2,2-DPA", "2,2-Dichloropropanoic acid", "Dalapon" ] }, { "compound_id": "C18601", "inchi": "InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;", "name": "Sodium oleate", "names": [ "Sodium oleate" ] }, { "compound_id": "C18602", "inchi": "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3", "name": "Propargite", "names": [ "BPPS", "Propargite" ] }, { "compound_id": "C18603", "inchi": "InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)", "name": "Pyrimidifen", "names": [ "Pyrimidifen" ] }, { "compound_id": "C18604", "inchi": "InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)", "name": "Forchlorfenuron", "names": [ "Forchlorfenuron" ] }, { "compound_id": "C18605", "inchi": "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3", "name": "Pyriproxyfen", "names": [ "Pyriproxyfen" ] }, { "compound_id": "C18606", "inchi": "InChI=1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1", "name": "Potassium bicarbonate", "names": [ "Potassium bicarbonate" ] }, { "compound_id": "C18607", "inchi": "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1", "name": "Cyhalofop-butyl", "names": [ "Cyhalofop-butyl" ] }, { "compound_id": "C18608", "inchi": "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1", "name": "Mecoprop-P", "names": [ "(R)-2-(4-chloro-o-tolyloxy)propionic acid", "Mecoprop-P" ] }, { "compound_id": "C18609", "inchi": "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+", "name": "Clethodim", "names": [ "Clethodim" ] }, { "compound_id": "C18610", "inchi": "InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1", "name": "Monoammonium glycyrrhizinate", "names": [ "Monoammonium glycyrrhizinate" ] }, { "compound_id": "C18611", "inchi": "InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2", "name": "Phthalide", "names": [ "Phthalide" ] }, { "compound_id": "C18612", "inchi": "InChI=1S/C33H60O10.I2/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34;1-2/h10-13,34H,2-9,14-31H2,1H3;", "name": "Nonoxynol-9 iodine", "names": [ "Nonoxynol-9 iodine" ] }, { "compound_id": "C18613", "inchi": "InChI=1S/C15H15ClN6/c1-3-7-20(2)15-11(9-17)10-18-22(15)14-13(16)12-6-4-5-8-21(12)19-14/h1,10H,4-8H2,2H3", "name": "Pyraclonil", "names": [ "Pyraclonil" ] }, { "compound_id": "C18614", "inchi": "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3", "name": "Pyridaben", "names": [ "Pyridaben" ] }, { "compound_id": "C18615", "inchi": "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)", "name": "Triflumuron", "names": [ "Triflumuron", "Trifluron" ] }, { "compound_id": "C18616", "inchi": null, "name": "Methoxymalonyl-[acp]", "names": [ "(2R)-Methoxymalonyl-[acp]", "Methoxymalonyl-ACP", "Methoxymalonyl-[acp]" ] }, { "compound_id": "C18617", "inchi": null, "name": "Hydroxymalonyl-[acp]", "names": [ "(2R)-Hydroxymalonyl-[acp]", "Hydroxymalonyl-ACP", "Hydroxymalonyl-[acp]" ] }, { "compound_id": "C18618", "inchi": null, "name": "Aminomalonyl-[acp]", "names": [ "(2S)-Aminomalonyl-[acp]", "Aminomalonyl-ACP", "Aminomalonyl-[acp]" ] }, { "compound_id": "C18619", "inchi": "InChI=1S/C11H16N2O2/c1-13(2)9-5-3-8(4-6-9)7-10(12)11(14)15/h3-6,10H,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1", "name": "4-Dimethylamino-L-phenylalanine", "names": [ "4-Dimethylamino-L-phenylalanine" ] }, { "compound_id": "C18620", "inchi": "InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)", "name": "3-Hydroxypicolinic acid", "names": [ "3-Hydroxypicolinic acid" ] }, { "compound_id": "C18621", "inchi": "InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,12H,(H,13,14)", "name": "3-Hydroxyquinaldic acid", "names": [ "3-Hydroxyquinaldic acid" ] }, { "compound_id": "C18622", "inchi": "InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1", "name": "L-Homotyrosine", "names": [ "L-Homotyrosine" ] }, { "compound_id": "C18623", "inchi": "InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1", "name": "L-Phenylglycine", "names": [ "L-Phenylglycine", "Phenylglycine" ] }, { "compound_id": "C18624", "inchi": "InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)", "name": "Quinoxaline-2-carboxylic acid", "names": [ "Quinoxaline-2-carboxylic acid" ] }, { "compound_id": "C18625", "inchi": "InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)", "name": "4-Nitrobenzoic acid", "names": [ "4-Nitrobenzoic acid", "p-Nitrobenzoic acid" ] }, { "compound_id": "C18626", "inchi": "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1", "name": "Metalaxyl-M", "names": [ "Metalaxyl-M" ] }, { "compound_id": "C18627", "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+", "name": "1,3-Dichloropropene", "names": [ "1,3-Dichloropropene", "D-D 92" ] }, { "compound_id": "C18628", "inchi": "InChI=1S/C12H22N4S4/c1-7-13-9(3)19-11(17)15(7)5-6-16-8(2)14-10(4)20-12(16)18/h7-10,13-14H,5-6H2,1-4H3", "name": "Thiadiazin", "names": [ "Milneb", "Thiadiazin" ] }, { "compound_id": "C18629", "inchi": "InChI=1S/C20H16O7/c1-9(21)5-14(23)17-12(8-15(24)25)7-11-6-10-3-2-4-13(22)16(10)19(26)18(11)20(17)27/h2-4,7,22,27H,5-6,8H2,1H3,(H,24,25)", "name": "12-Deoxynogalonic acid", "names": [ "12-Deoxynogalonic acid" ] }, { "compound_id": "C18630", "inchi": "InChI=1S/C21H16O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,16,22,26,28H,7H2,1-2H3/t16-,21-/m0/s1", "name": "Nogalaviketone", "names": [ "Nogalaviketone" ] }, { "compound_id": "C18631", "inchi": "InChI=1S/C21H18O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,12,16,22-23,26,28H,7H2,1-2H3/t12-,16-,21-/m0/s1", "name": "Nogalavinone", "names": [ "Nogalamycinone", "Nogalavinone" ] }, { "compound_id": "C18632", "inchi": "InChI=1S/C21H18O9/c1-21(29)6-11(24)12-7(16(21)20(28)30-2)5-8-13(18(12)26)19(27)15-10(23)4-3-9(22)14(15)17(8)25/h3-5,11,16,22-24,26,29H,6H2,1-2H3/t11-,16-,21-/m0/s1", "name": "1-OH-Nogalamycinone", "names": [ "1-OH-Nogalamycinone" ] }, { "compound_id": "C18633", "inchi": "InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1", "name": "Nogalamycin", "names": [ "Nogalamycin" ] }, { "compound_id": "C18634", "inchi": "InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19?,20?,24-,25+,30+/m0/s1", "name": "Aclacinomycin T", "names": [ "Aclacinomycin T", "Rhodosaminyl-aklavinone" ] }, { "compound_id": "C18635", "inchi": "InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23?,24?,25?,29-,30+,34?,36+/m0/s1", "name": "Aclacinomycin S", "names": [ "Aclacinomycin S", "L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone" ] }, { "compound_id": "C18636", "inchi": "InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10-,11+,12+,13+,14+/m0/s1", "name": "dTDP-L-2-deoxyfucose", "names": [ "dTDP-L-2-deoxyfucose" ] }, { "compound_id": "C18637", "inchi": "InChI=1S/C42H55NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24-25,27-31,35,39-40,44-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,25-,27-,28?,29?,30?,31?,35-,39?,40?,42+/m0/s1", "name": "Aclacinomycin N", "names": [ "Aclacinomycin N" ] }, { "compound_id": "C18638", "inchi": "InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28?,29?,30?,31?,35-,39?,40?,42+/m0/s1", "name": "Aclacinomycin A", "names": [ "Aclacinomycin A" ] }, { "compound_id": "C18639", "inchi": "InChI=1S/C42H51NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-14,18-20,24,27-31,35,39-40,45-46,49,51H,8,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28?,29?,30?,31?,35-,39?,40?,42+/m0/s1", "name": "Aclacinomycin Y", "names": [ "Aclacinomycin Y" ] }, { "compound_id": "C18640", "inchi": "InChI=1S/C30H35NO11/c1-6-30(39)11-16(42-17-10-14(31(3)4)24(33)12(2)41-17)19-20(23(30)29(38)40-5)28(37)21-22(27(19)36)26(35)18-13(25(21)34)8-7-9-15(18)32/h7-9,12,14,16-17,23-24,32-33,36-37,39H,6,10-11H2,1-5H3/t12-,14-,16?,17?,23-,24+,30+/m0/s1", "name": "epsilon-Rhodomycin T", "names": [ "epsilon-Rhodomycin T" ] }, { "compound_id": "C18641", "inchi": "InChI=1S/C29H33NO11/c1-5-29(39)10-15(41-16-9-13(30(3)4)23(32)11(2)40-16)18-19(22(29)28(37)38)27(36)20-21(26(18)35)25(34)17-12(24(20)33)7-6-8-14(17)31/h6-8,11,13,15-16,22-23,31-32,35-36,39H,5,9-10H2,1-4H3,(H,37,38)/t11-,13-,15?,16?,22-,23+,29+/m0/s1", "name": "15-Demethoxy-epsilon-rhodomycin", "names": [ "15-Demethoxy-epsilon-rhodomycin" ] }, { "compound_id": "C18642", "inchi": "InChI=1S/C28H33NO10/c1-5-28(37)10-15(39-16-9-13(29(3)4)22(31)11(2)38-16)18-21(27(28)36)26(35)19-20(25(18)34)24(33)17-12(23(19)32)7-6-8-14(17)30/h6-8,11,13,15-16,22,27,30-31,34-37H,5,9-10H2,1-4H3/t11-,13-,15?,16?,22+,27+,28+/m0/s1", "name": "beta-Rhodomycin", "names": [ "Rhodomycin B", "beta-Rhodomycin" ] }, { "compound_id": "C18643", "inchi": "InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-16,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11-,12-,13+,14+,15+,16+/m0/s1", "name": "dTDP-L-rhodosamine", "names": [ "dTDP-L-rhodosamine" ] }, { "compound_id": "C18644", "inchi": "InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3", "name": "Azinphos-ethyl", "names": [ "Azinphos-ethyl" ] }, { "compound_id": "C18645", "inchi": "InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+", "name": "Butocarboxim", "names": [ "Butocarboxim" ] }, { "compound_id": "C18646", "inchi": "InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+", "name": "Butoxycarboxim", "names": [ "Butoxycarboxim" ] }, { "compound_id": "C18647", "inchi": "InChI=1S/2AsH3O4.3Ca/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6", "name": "Calcium arsenate", "names": [ "Calcium arsenate" ] }, { "compound_id": "C18648", "inchi": "InChI=1S/AsH3O4.Pb/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+2/p-2", "name": "Lead arsenate", "names": [ "Lead arsenate", "Lead hydrogen arsenate" ] }, { "compound_id": "C18649", "inchi": "InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)", "name": "Ethiofencarb", "names": [ "Ethiofencarb" ] }, { "compound_id": "C18650", "inchi": "InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3", "name": "Furathiocarb", "names": [ "Furathiocarb" ] }, { "compound_id": "C18651", "inchi": "InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)", "name": "Methiocarb", "names": [ "Methiocarb" ] }, { "compound_id": "C18652", "inchi": "InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+", "name": "Thiofanox", "names": [ "Thiofanox" ] }, { "compound_id": "C18653", "inchi": "InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3", "name": "DNOC", "names": [ "2,4-Dinitro-6-methylphenol", "4,6-Dinitro-o-cresol", "DNOC" ] }, { "compound_id": "C18654", "inchi": "InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+", "name": "Chlorfenvinphos", "names": [ "Chlorfenvinphos" ] }, { "compound_id": "C18655", "inchi": "InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3", "name": "Demeton-S-methyl", "names": [ "Demeton-S-methyl" ] }, { "compound_id": "C18656", "inchi": "InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+", "name": "Dicrotophos", "names": [ "Dicrotophos" ] }, { "compound_id": "C18657", "inchi": "InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3", "name": "Triazophos", "names": [ "Triazophos" ] }, { "compound_id": "C18658", "inchi": "InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3", "name": "Famphur", "names": [ "Famophos", "Famphur" ] }, { "compound_id": "C18659", "inchi": "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)", "name": "Fenamiphos", "names": [ "Fenamiphos" ] }, { "compound_id": "C18660", "inchi": "InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3", "name": "Heptenophos", "names": [ "Heptenophos" ] }, { "compound_id": "C18661", "inchi": "InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3", "name": "Mecarbam", "names": [ "Mecarbam" ] }, { "compound_id": "C18662", "inchi": "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)", "name": "Omethoate", "names": [ "Omethoate" ] }, { "compound_id": "C18663", "inchi": "InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+", "name": "Monocrotophos", "names": [ "Monocrotophos" ] }, { "compound_id": "C18664", "inchi": "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3", "name": "Oxydemeton-methyl", "names": [ "Oxydemeton-methyl" ] }, { "compound_id": "C18665", "inchi": "InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3", "name": "Thiometon", "names": [ "Thiometon" ] }, { "compound_id": "C18666", "inchi": "InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)", "name": "Vamidothion", "names": [ "Vamidothion" ] }, { "compound_id": "C18667", "inchi": "InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)", "name": "Methamidophos", "names": [ "Methamidophos" ] }, { "compound_id": "C18668", "inchi": "InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)/b13-8+", "name": "Formetanate", "names": [ "Dicarzol", "Formetanate" ] }, { "compound_id": "C18669", "inchi": "InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+", "name": "Propetamphos", "names": [ "Propetamphos" ] }, { "compound_id": "C18670", "inchi": "InChI=1S/Hg.O/q+2;-2", "name": "Mercuric oxide", "names": [ "Mercuric oxide" ] }, { "compound_id": "C18671", "inchi": "InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3", "name": "Dinoterb", "names": [ "Dinoterb" ] }, { "compound_id": "C18672", "inchi": "InChI=1S/CH3.Hg/h1H3;/q;+1", "name": "Methylmercury", "names": [ "CH3Hg+", "Methylmercury", "Methylmercury ion" ] }, { "compound_id": "C18673", "inchi": "InChI=1S/CN.Na/c1-2;/q-1;+1", "name": "Sodium cyanide", "names": [ "Sodium cyanide" ] }, { "compound_id": "C18674", "inchi": null, "name": "Zinc phosphide", "names": [ "Zinc phosphide" ] }, { "compound_id": "C18675", "inchi": "InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)", "name": "Fluoroacetamide", "names": [ "Fluoroacetamide" ] }, { "compound_id": "C18676", "inchi": "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2", "name": "alpha-Chlorohydrin", "names": [ "3-Monochloro-1,2-propanediol", "alpha-Chlorohydrin" ] }, { "compound_id": "C18677", "inchi": "InChI=1S/C6H11Cl4O3PS/c1-3-11-14(15,12-4-2)13-5(7)6(8,9)10/h5H,3-4H2,1-2H3", "name": "Chlorethoxyfos", "names": [ "Chlorethoxyfos" ] }, { "compound_id": "C18678", "inchi": "InChI=1S/C19H18O6/c1-18(24)6-13(22)16-10-5-9-3-2-4-11(20)14(9)17(23)15(10)12(21)7-19(16,25)8-18/h2-5,16,20,23-25H,6-8H2,1H3/t16?,18-,19-/m0/s1", "name": "UWM6", "names": [ "UWM6" ] }, { "compound_id": "C18679", "inchi": "InChI=1S/C19H16O5/c1-9-5-13(21)17-11-6-10-3-2-4-12(20)15(10)18(23)16(11)14(22)8-19(17,24)7-9/h2-6,17,20,23-24H,7-8H2,1H3/t17?,19-/m1/s1", "name": "2,3-Dehydro-UWM6", "names": [ "2,3-Dehydro-UWM6", "Prejadomycin" ] }, { "compound_id": "C18680", "inchi": "InChI=1S/C24H21NO6/c1-4-11(3)19-24(30)31-23-13-8-10(2)9-15(27)16(13)18-20(25(19)23)22(29)17-12(21(18)28)6-5-7-14(17)26/h5-9,11,19,23,26-27H,4H2,1-3H3/t11-,19-,23-/m0/s1", "name": "Jadomycin A", "names": [ "Jadomycin A", "Jadomycin B aglycon" ] }, { "compound_id": "C18681", "inchi": "InChI=1S/C25H28O9/c1-10-21(29)14(26)6-17(34-10)12-4-3-11-5-13-19(23(31)18(11)22(12)30)15(27)8-25(33)9-24(2,32)7-16(28)20(13)25/h3-5,10,14,17,20-21,26,29-33H,6-9H2,1-2H3/t10-,14-,17-,20?,21-,24+,25+/m1/s1", "name": "C1'-C9-Glycosylated UWM6", "names": [ "C1'-C9-Glycosylated UWM6" ] }, { "compound_id": "C18682", "inchi": "InChI=1S/C19H14O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-6,13,20-22H,7H2,1H3/t13-/m1/s1", "name": "11-Deoxylandomycinone", "names": [ "11-Deoxylandomycinone" ] }, { "compound_id": "C18683", "inchi": "InChI=1S/C25H24O8/c1-10-6-12-8-15(27)21-22(19(12)14(26)7-10)24(30)13-4-3-5-17(20(13)25(21)31)33-18-9-16(28)23(29)11(2)32-18/h3-7,11,15-16,18,23,26-29H,8-9H2,1-2H3/t11-,15-,16-,18+,23-/m1/s1", "name": "Landomycin H", "names": [ "Landomycin H" ] }, { "compound_id": "C18684", "inchi": "InChI=1S/C31H34O12/c1-11-6-14-8-17(34)25-27(23(14)16(33)7-11)30(39)24-15(32)4-5-20(26(24)29(25)38)42-21-10-19(36)31(13(3)41-21)43-22-9-18(35)28(37)12(2)40-22/h4-7,12-13,17-19,21-22,28,31-37H,8-10H2,1-3H3/t12-,13-,17-,18-,19-,21+,22?,28-,31?/m1/s1", "name": "Landomycin D", "names": [ "Landomycin D" ] }, { "compound_id": "C18685", "inchi": "InChI=1S/C37H44O14/c1-14-9-18-11-22(41)31-33(29(18)21(40)10-14)36(45)30-20(39)5-7-24(32(30)35(31)44)49-27-12-23(42)37(17(4)48-27)51-28-13-25(34(43)16(3)47-28)50-26-8-6-19(38)15(2)46-26/h5,7,9-10,15-17,19,22-23,25-28,34,37-43H,6,8,11-13H2,1-4H3/t15-,16+,17+,19-,22+,23+,25+,26-,27-,28?,34+,37?/m0/s1", "name": "Landomycin E", "names": [ "Landomycin E" ] }, { "compound_id": "C18686", "inchi": "InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3", "name": "Chlormephos", "names": [ "Chlormephos" ] }, { "compound_id": "C18687", "inchi": "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3", "name": "Ethoprophos", "names": [ "Ethoprophos" ] }, { "compound_id": "C18688", "inchi": "InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+", "name": "Mevinphos", "names": [ "Mevinphos" ] }, { "compound_id": "C18689", "inchi": "InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8-", "name": "Phosphamidon", "names": [ "Phosphamidon" ] }, { "compound_id": "C18690", "inchi": "InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3", "name": "Phorate", "names": [ "Phorate" ] }, { "compound_id": "C18691", "inchi": "InChI=1S/C8H20O5P2S2/c1-5-10-14(16,8-9-4)13-15(17,11-6-2)12-7-3/h5-8H2,1-4H3", "name": "Sulfotep", "names": [ "Sulfotep" ] }, { "compound_id": "C18692", "inchi": "InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3", "name": "Tebupirimfos", "names": [ "Tebupirimfos" ] }, { "compound_id": "C18693", "inchi": "InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3", "name": "Terbufos", "names": [ "Terbufos" ] }, { "compound_id": "C18694", "inchi": "InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2", "name": "Brodifacoum", "names": [ "Brodifacoum" ] }, { "compound_id": "C18695", "inchi": "InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2", "name": "Difethialone", "names": [ "Difethialone" ] }, { "compound_id": "C18696", "inchi": "InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2", "name": "Flocoumafen", "names": [ "Flocoumafen" ] }, { "compound_id": "C18697", "inchi": "InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3", "name": "Bromethalin", "names": [ "Bromethalin" ] }, { "compound_id": "C18698", "inchi": "InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H", "name": "Diphenadione", "names": [ "Diphenadione" ] }, { "compound_id": "C18699", "inchi": "InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14+,17-/m0/s1", "name": "(-)-Jasmonoyl-L-isoleucine", "names": [ "(-)-JA-L-Ile", "(-)-Jasmonoyl-L-isoleucine" ] }, { "compound_id": "C18700", "inchi": "InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)", "name": "Ametryn", "names": [ "Ametryn" ] }, { "compound_id": "C18701", "inchi": "InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2", "name": "Azaconazole", "names": [ "Azaconazole" ] }, { "compound_id": "C18702", "inchi": "InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3", "name": "Azamethiphos", "names": [ "Azamethiphos" ] }, { "compound_id": "C18703", "inchi": "InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3", "name": "Bensulide", "names": [ "Bensulide" ] }, { "compound_id": "C18704", "inchi": "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2", "name": "Bromuconazole", "names": [ "Bromuconazole" ] }, { "compound_id": "C18705", "inchi": "InChI=1S/C24H33NO4/c1-7-10-19(26)23-15(5)11-14(4)22(16(23)6)17-12-20(27)24(21(28)13-17)18(8-2)25-29-9-3/h11,17,27H,7-10,12-13H2,1-6H3/b25-18+", "name": "Butroxydim", "names": [ "Butroxydim" ] }, { "compound_id": "C18706", "inchi": "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3", "name": "Butylamine", "names": [ "Butylamine" ] }, { "compound_id": "C18707", "inchi": "InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3?,4-,5-,6?,7-/m1/s1", "name": "Chloralose", "names": [ "Chloralose" ] }, { "compound_id": "C18708", "inchi": "InChI=1S/C19H32Cl2P.ClH/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21;/h10-11,15H,4-9,12-14,16H2,1-3H3;1H/q+1;/p-1", "name": "Chlorphonium chloride", "names": [ "Chlorphonium chloride", "Phosfon D" ] }, { "compound_id": "C18709", "inchi": "InChI=1S/C20H16O8/c1-8(21)2-13(23)17-11(6-15(25)26)4-9-3-10-5-12(22)7-14(24)16(10)19(27)18(9)20(17)28/h3-5,7,22,24,27-28H,2,6H2,1H3,(H,25,26)", "name": "Decaketide tricyclic intermediate", "names": [ "Decaketide tricyclic intermediate" ] }, { "compound_id": "C18710", "inchi": "InChI=1S/C47H62O21/c1-16-26(65-29-12-25(49)37(51)18(3)61-29)11-23-9-22-10-24-42(60-8)41(55)33(17(2)48)44(57)47(24,45(58)35(22)40(54)34(23)36(16)50)68-31-14-28(39(53)20(5)63-31)66-30-13-27(38(52)19(4)62-30)67-32-15-46(7,59)43(56)21(6)64-32/h9,11,18-21,24-25,27-32,37-39,42-43,49-56,59H,10,12-15H2,1-8H3/t18-,19-,20-,21-,24+,25-,27-,28-,29+,30+,31?,32+,37-,38+,39-,42+,43-,46+,47?/m1/s1", "name": "3A-Deolivosylpremithramycin B", "names": [ "3A-Deolivosylpremithramycin B" ] }, { "compound_id": "C18711", "inchi": "InChI=1S/C52H74O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,20-24,27-28,30-37,41-45,49-51,54-61,64-65H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36?,37+,41+,42-,43-,44-,45+,49+,50?,51-,52+/m1/s1", "name": "Mithramycin DK", "names": [ "Mithramycin DK" ] }, { "compound_id": "C18712", "inchi": "InChI=1S/Cu.2H2O/h;2*1H2/q+2;;/p-2", "name": "Copper hydroxide", "names": [ "Copper hydroxide" ] }, { "compound_id": "C18713", "inchi": "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2", "name": "Copper sulfate", "names": [ "Copper sulfate", "Copper(II) sulfate" ] }, { "compound_id": "C18714", "inchi": "InChI=1S/2Cu.O/q2*+1;-2", "name": "Cuprous oxide", "names": [ "Copper (I) oxide", "Cuprous oxide" ] }, { "compound_id": "C18715", "inchi": "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m1/s1", "name": "alpha-Cypermethrin", "names": [ "Alphamethrin", "alpha-Cypermethrin" ] }, { "compound_id": "C18716", "inchi": "InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)", "name": "Diclofop", "names": [ "Diclofop" ] }, { "compound_id": "C18717", "inchi": "InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1", "name": "Difenzoquat", "names": [ "Difenzoquat" ] }, { "compound_id": "C18718", "inchi": "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3", "name": "Dimethachlor", "names": [ "Dimethachlor" ] }, { "compound_id": "C18719", "inchi": "InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3", "name": "Dimethipin", "names": [ "2,3-dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide", "Dimethipin" ] }, { "compound_id": "C18720", "inchi": "InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+", "name": "Diniconazole", "names": [ "Diniconazole" ] }, { "compound_id": "C18721", "inchi": "InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3", "name": "Dinobuton", "names": [ "Dinobuton" ] }, { "compound_id": "C18722", "inchi": "InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3", "name": "Diphenamid", "names": [ "Diphenamid" ] }, { "compound_id": "C18723", "inchi": "InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)", "name": "Dodine", "names": [ "Dodecylguanidine acetate", "Dodine" ] }, { "compound_id": "C18724", "inchi": "InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2", "name": "Endothal-disodium", "names": [ "Endothal-disodium" ] }, { "compound_id": "C18725", "inchi": "InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3", "name": "Ethion", "names": [ "Ethion" ] }, { "compound_id": "C18726", "inchi": "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3", "name": "Fenpropidin", "names": [ "Fenpropidin" ] }, { "compound_id": "C18727", "inchi": "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3", "name": "Fenazaquin", "names": [ "Fenazaquin" ] }, { "compound_id": "C18728", "inchi": "InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1", "name": "Fentin acetate", "names": [ "Fentin acetate" ] }, { "compound_id": "C18729", "inchi": "InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1", "name": "Fentin hydroxide", "names": [ "Fentin", "Fentin hydroxide" ] }, { "compound_id": "C18730", "inchi": "InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3", "name": "Fluchloralin", "names": [ "Fluchloralin" ] }, { "compound_id": "C18731", "inchi": "InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3", "name": "Flufenacet", "names": [ "Flufenacet" ] }, { "compound_id": "C18732", "inchi": "InChI=1S/C16H9ClF3NO7/c17-11-5-8(16(18,19)20)1-4-13(11)28-9-2-3-12(21(25)26)10(6-9)15(24)27-7-14(22)23/h1-6H,7H2,(H,22,23)", "name": "Fluoroglycofen", "names": [ "Fluoroglycofen" ] }, { "compound_id": "C18733", "inchi": "InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3", "name": "Flusilazole", "names": [ "Flusilazole" ] }, { "compound_id": "C18734", "inchi": "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2", "name": "Flutriafol", "names": [ "Flutriafol" ] }, { "compound_id": "C18735", "inchi": "InChI=1S/C12H11ClF3NO3/c13-9-3-1-8(2-4-9)11(12(14,15)16)17-20-7-10-18-5-6-19-10/h1-4,10H,5-7H2", "name": "Fluxofenim", "names": [ "Fluxofenim" ] }, { "compound_id": "C18736", "inchi": "InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)", "name": "Fomesafen", "names": [ "Fomesafen" ] }, { "compound_id": "C18737", "inchi": "InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)", "name": "Fuberidazole", "names": [ "Fuberidazole" ] }, { "compound_id": "C18738", "inchi": "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H", "name": "BHC", "names": [ "1,2,3,4,5,6-Hexachlorocyclohexane", "BHC" ] }, { "compound_id": "C18739", "inchi": "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2", "name": "Enilconazole", "names": [ "Enilconazole", "Imazalil" ] }, { "compound_id": "C18740", "inchi": "InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3", "name": "Ioxynil octanoate", "names": [ "Ioxynil octanoate" ] }, { "compound_id": "C18741", "inchi": "InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3", "name": "MCPA-thioethyl", "names": [ "MCPA-thioethyl" ] }, { "compound_id": "C18742", "inchi": "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)", "name": "Mecoprop", "names": [ "Mecoprop" ] }, { "compound_id": "C18743", "inchi": "InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)", "name": "Mefluidide", "names": [ "Mefluidide" ] }, { "compound_id": "C18744", "inchi": "InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3", "name": "Metaldehyde", "names": [ "Metaldehyde" ] }, { "compound_id": "C18745", "inchi": "InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+", "name": "Methacrifos", "names": [ "Methacrifos" ] }, { "compound_id": "C18746", "inchi": "InChI=1S/C9H11NO4S2/c1-10-9(11)15-8-5-3-7(4-6-8)14-16(2,12)13/h3-6H,1-2H3,(H,10,11)", "name": "Methasulfocarb", "names": [ "Methasulfocarb" ] }, { "compound_id": "C18747", "inchi": "InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)", "name": "Metolcarb", "names": [ "Metolcarb" ] }, { "compound_id": "C18748", "inchi": "InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2", "name": "Nabam", "names": [ "Nabam" ] }, { "compound_id": "C18749", "inchi": "InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3", "name": "Naled", "names": [ "Naled" ] }, { "compound_id": "C18750", "inchi": "InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)", "name": "2-Napthyloxyacetic acid", "names": [ "2-Napthyloxyacetic acid" ] }, { "compound_id": "C18751", "inchi": "InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H", "name": "Nitrapyrin", "names": [ "Nitrapyrin" ] }, { "compound_id": "C18752", "inchi": "InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3", "name": "Octhilinone", "names": [ "Octhilinone" ] }, { "compound_id": "C18753", "inchi": "InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3", "name": "Oxadixyl", "names": [ "Oxadixyl" ] }, { "compound_id": "C18754", "inchi": "InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2", "name": "Captafol", "names": [ "Captafol" ] }, { "compound_id": "C18755", "inchi": "InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3", "name": "Pebulate", "names": [ "Pebulate" ] }, { "compound_id": "C18756", "inchi": "InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3", "name": "Phosmet", "names": [ "Phosmet" ] }, { "compound_id": "C18757", "inchi": "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+", "name": "Phoxim", "names": [ "Phoxim" ] }, { "compound_id": "C18758", "inchi": "InChI=1S/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3", "name": "Piperophos", "names": [ "Piperophos" ] }, { "compound_id": "C18759", "inchi": "InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3", "name": "Propachlor", "names": [ "Propachlor" ] }, { "compound_id": "C18760", "inchi": "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3", "name": "Prosulfocarb", "names": [ "Prosulfocarb" ] }, { "compound_id": "C18761", "inchi": "InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3", "name": "Pyrazophos", "names": [ "Pyrazophos" ] }, { "compound_id": "C18762", "inchi": "InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3", "name": "Pyridafenthion", "names": [ "Pyridafenthion", "Pyridaphenthion" ] }, { "compound_id": "C18763", "inchi": "InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)", "name": "Quizalofop", "names": [ "Quizalofop" ] }, { "compound_id": "C18764", "inchi": "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3", "name": "Quizalofop-P-tefuryl", "names": [ "Quizalofop-P-tefuryl" ] }, { "compound_id": "C18765", "inchi": "InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1", "name": "Sodium chlorate", "names": [ "Sodium chlorate" ] }, { "compound_id": "C18766", "inchi": "InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3", "name": "Sulfluramid", "names": [ "Sulfluramid" ] }, { "compound_id": "C18767", "inchi": "InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)", "name": "2,3,6-TBA", "names": [ "2,3,6-TBA", "2,3,6-Trichlorobenzoic acid" ] }, { "compound_id": "C18768", "inchi": "InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)", "name": "Terbumeton", "names": [ "Terbumeton" ] }, { "compound_id": "C18769", "inchi": "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3/b21-16+", "name": "Tralkoxydim", "names": [ "Tralkoxydim" ] }, { "compound_id": "C18770", "inchi": "InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3", "name": "Triazamate", "names": [ "Triazamate" ] }, { "compound_id": "C18771", "inchi": "InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)", "name": "XMC", "names": [ "3,5-Xylyl methylcarbamate", "XMC" ] }, { "compound_id": "C18772", "inchi": "InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,13-14H,2,6,8-10H2,1,3-5H3/b18-11+", "name": "Alloxydim", "names": [ "Alloxydim" ] }, { "compound_id": "C18773", "inchi": "InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3", "name": "Ammonium sulfamate", "names": [ "Ammonium sulfamate" ] }, { "compound_id": "C18774", "inchi": "InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3", "name": "Ancymidol", "names": [ "Ancymidol" ] }, { "compound_id": "C18775", "inchi": "InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)", "name": "Benazolin", "names": [ "Benazolin" ] }, { "compound_id": "C18776", "inchi": "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)", "name": "Bupirimate", "names": [ "Bupirimate" ] }, { "compound_id": "C18777", "inchi": "InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)", "name": "Chlorimuron", "names": [ "Chlorimuron" ] }, { "compound_id": "C18778", "inchi": "InChI=1S/C25H24O9/c1-9-5-11-7-14(28)20-22(18(11)13(27)6-9)25(32)19-12(26)3-4-16(21(19)24(20)31)34-17-8-15(29)23(30)10(2)33-17/h3-6,10,14-15,17,23,26-30H,7-8H2,1-2H3/t10-,14-,15-,17+,23-/m1/s1", "name": "8-D-Olivosyl-landomycin", "names": [ "8-D-Olivosyl-landomycin", "Landomycin I" ] }, { "compound_id": "C18779", "inchi": "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)", "name": "Clopyralid", "names": [ "3,6-Dichloro-2-pyridinecarboxylic acid", "Clopyralid" ] }, { "compound_id": "C18780", "inchi": "InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3", "name": "Cycloate", "names": [ "Cycloate" ] }, { "compound_id": "C18781", "inchi": "InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)", "name": "Diafenthiuron", "names": [ "Diafenthiuron" ] }, { "compound_id": "C18782", "inchi": "InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2", "name": "Dichlormid", "names": [ "Dichlormid" ] }, { "compound_id": "C18783", "inchi": "InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)", "name": "Dimefuron", "names": [ "Dimefuron" ] }, { "compound_id": "C18784", "inchi": "InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)", "name": "Dimethirimol", "names": [ "Dimethirimol" ] }, { "compound_id": "C18785", "inchi": "InChI=1S/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3", "name": "Dinitramine", "names": [ "Dinitramine" ] }, { "compound_id": "C18786", "inchi": "InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3", "name": "Dodemorph", "names": [ "Dodemorph" ] }, { "compound_id": "C18787", "inchi": "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+", "name": "Fenpropimorph", "names": [ "Fenpropimorph" ] }, { "compound_id": "C18788", "inchi": "InChI=1S/C16H13ClFNO3/c1-10(16(21)22)19(12-7-8-14(18)13(17)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)/t10-/m1/s1", "name": "Flamprop-M", "names": [ "Flamprop-M" ] }, { "compound_id": "C18789", "inchi": "InChI=1S/C3H8NO4P/c1-2-8-9(6,7)3(4)5/h2H2,1H3,(H2,4,5)(H,6,7)", "name": "Fosamine", "names": [ "Fosamine" ] }, { "compound_id": "C18790", "inchi": "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1", "name": "tau-Fluvalinate", "names": [ "tau-Fluvalinate" ] }, { "compound_id": "C18791", "inchi": "InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)", "name": "Halofenozide", "names": [ "Halofenozide" ] }, { "compound_id": "C18792", "inchi": "InChI=1S/C17H20N2O/c1-17(2,14-10-6-4-7-11-14)18-16(20)19(3)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,18,20)", "name": "Methyldymron", "names": [ "Methyldymron" ] }, { "compound_id": "C18793", "inchi": "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)", "name": "Metobromuron", "names": [ "Metobromuron" ] }, { "compound_id": "C18794", "inchi": "InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)", "name": "Monolinuron", "names": [ "Monolinuron" ] }, { "compound_id": "C18795", "inchi": "InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3", "name": "MGK 264", "names": [ "MGK 264", "N-Octylbicycloheptene dicarboximide" ] }, { "compound_id": "C18796", "inchi": "InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1", "name": "(2R)-2-Hydroxy-2-methylbutanenitrile", "names": [ "(2R)-2-Hydroxy-2-methylbutanenitrile", "2-Hydroxy-2-methylbutanenitrile" ] }, { "compound_id": "C18797", "inchi": null, "name": "(S)-Hydroxynitrile", "names": [ "(S)-Cyanohydrin", "(S)-Hydroxynitrile" ] }, { "compound_id": "C18798", "inchi": "InChI=1S/C36H52N7O19P/c1-15-26-16(2)42(14-43(26)27-31(38-15)40-36(37)41-33(27)54)18-5-3-17(4-6-18)11-20(44)28(50)21(45)12-59-35-30(52)29(51)23(61-35)13-60-63(57,58)62-22(8-10-25(48)49)32(53)39-19(34(55)56)7-9-24(46)47/h3-6,15-16,19-23,26,28-30,35,44-45,50-52H,7-14H2,1-2H3,(H,39,53)(H,46,47)(H,48,49)(H,55,56)(H,57,58)(H4,37,38,40,41,54)/t15-,16+,19-,20-,21+,22+,23+,26+,28-,29+,30+,35-/m0/s1", "name": "5,10-Methylene-H4SPT", "names": [ "5,10-Methylene-H4SPT", "5,10-Methylene-tetrahydrosarcinapterin", "Methylene-tetrahydrosarcinapterin" ] }, { "compound_id": "C18799", "inchi": "InChI=1S/C36H54N7O19P/c1-15(26-16(2)39-31-27(43(26)3)33(54)42-36(37)41-31)38-18-6-4-17(5-7-18)12-20(44)28(50)21(45)13-59-35-30(52)29(51)23(61-35)14-60-63(57,58)62-22(9-11-25(48)49)32(53)40-19(34(55)56)8-10-24(46)47/h4-7,15-16,19-23,26,28-30,35,38,44-45,50-52H,8-14H2,1-3H3,(H,40,53)(H,46,47)(H,48,49)(H,55,56)(H,57,58)(H4,37,39,41,42,54)/t15-,16+,19+,20+,21-,22+,23-,26+,28+,29-,30-,35+/m1/s1", "name": "5-Methyl-H4SPT", "names": [ "5-Methyl-H4SPT", "5-Methyl-tetrahydrosarcinapterin" ] }, { "compound_id": "C18800", "inchi": "InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3", "name": "Ofurace", "names": [ "Ofurace" ] }, { "compound_id": "C18801", "inchi": "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3", "name": "Penconazole", "names": [ "Penconazole" ] }, { "compound_id": "C18802", "inchi": "InChI=1S/C35H52N7O19P/c1-14(25-15(2)38-30-26(40-25)32(53)42-35(36)41-30)37-17-5-3-16(4-6-17)11-19(43)27(49)20(44)12-58-34-29(51)28(50)22(60-34)13-59-62(56,57)61-21(8-10-24(47)48)31(52)39-18(33(54)55)7-9-23(45)46/h3-6,14-15,18-22,25,27-29,34,37,40,43-44,49-51H,7-13H2,1-2H3,(H,39,52)(H,45,46)(H,47,48)(H,54,55)(H,56,57)(H4,36,38,41,42,53)/t14-,15+,18+,19+,20-,21+,22-,25+,27+,28-,29-,34+/m1/s1", "name": "Tetrahydrosarcinapterin", "names": [ "5,6,7,8-Tetrahydrosarcinapterin", "H4SPT", "Tetrahydrosarcinapterin" ] }, { "compound_id": "C18803", "inchi": "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3", "name": "Pyridate", "names": [ "Pyridate" ] }, { "compound_id": "C18804", "inchi": "InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-", "name": "Pyrifenox", "names": [ "Pyrifenox" ] }, { "compound_id": "C18805", "inchi": "InChI=1S/C13H11ClN2O4S.Na/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;/h3-6H,1-2H3,(H,17,18);/q;+1/p-1", "name": "Pyrithiobac-sodium", "names": [ "Pyrithiobac sodium", "Pyrithiobac-sodium" ] }, { "compound_id": "C18806", "inchi": "InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)", "name": "Quinclorac", "names": [ "Quinclorac" ] }, { "compound_id": "C18807", "inchi": "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)/t15-,21+", "name": "Spirotetramat", "names": [ "Spirotetramat" ] }, { "compound_id": "C18808", "inchi": "InChI=1S/C2HCl3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1", "name": "TCA-sodium", "names": [ "TCA-sodium", "Trichloroacetic acid sodium" ] }, { "compound_id": "C18809", "inchi": "InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3", "name": "Temefos", "names": [ "Temefos" ] }, { "compound_id": "C18810", "inchi": "InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)", "name": "Terbuthylazine", "names": [ "Terbuthylazine" ] }, { "compound_id": "C18811", "inchi": "InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)", "name": "Terbutryn", "names": [ "Terbutryn" ] }, { "compound_id": "C18812", "inchi": "InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)", "name": "Thidiazuron", "names": [ "Thidiazuron" ] }, { "compound_id": "C18813", "inchi": "InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3", "name": "Tri-allate", "names": [ "Tri-allate", "Triallate" ] }, { "compound_id": "C18814", "inchi": "InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)", "name": "Trietazine", "names": [ "Trietazine" ] }, { "compound_id": "C18815", "inchi": "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-", "name": "Triticonazole", "names": [ "Triticonazole" ] }, { "compound_id": "C18816", "inchi": "InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6", "name": "Cryolite", "names": [ "Aluminum sodium fluoride", "Cryolite" ] }, { "compound_id": "C18817", "inchi": "InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)", "name": "Chlorotoluron", "names": [ "Chlorotoluron" ] }, { "compound_id": "C18818", "inchi": "InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)", "name": "Cinosulfuron", "names": [ "Cinosulfuron" ] }, { "compound_id": "C18819", "inchi": "InChI=1S/C9H9ClO4.Na/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13;/h1-3,11H,4-5H2,(H,12,13);/q;+1/p-1", "name": "Cloxyfonac-sodium", "names": [ "Cloxyfonac-sodium" ] }, { "compound_id": "C18820", "inchi": "InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3", "name": "Dichlofluanid", "names": [ "Dichlofluanid" ] }, { "compound_id": "C18821", "inchi": "InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3", "name": "Diclosulam", "names": [ "Diclosulam" ] }, { "compound_id": "C18822", "inchi": "InChI=1S/C55H74O22/c1-21-14-28-16-32(59)47-49(45(28)31(58)15-21)53(65)46-30(57)8-10-36(48(46)52(47)64)73-42-18-34(61)55(27(7)71-42)77-44-20-38(51(63)25(5)69-44)75-40-13-11-35(23(3)67-40)72-41-17-33(60)54(26(6)70-41)76-43-19-37(50(62)24(4)68-43)74-39-12-9-29(56)22(2)66-39/h8,10,14-15,22-27,29,32-35,37-44,50-51,54-63H,9,11-13,16-20H2,1-7H3/t22-,23-,24+,25+,26+,27+,29-,32+,33+,34+,35?,37+,38+,39-,40-,41?,42-,43?,44?,50+,51+,54?,55?/m0/s1", "name": "Landomycin A", "names": [ "Landomycin A" ] }, { "compound_id": "C18823", "inchi": "InChI=1S/C49H64O20/c1-18-11-24-13-27(52)41-43(39(24)26(51)12-18)47(59)40-25(50)7-8-32(42(40)46(41)58)66-36-16-30(55)49(23(6)64-36)69-38-17-33(45(57)21(4)62-38)67-34-10-9-31(19(2)60-34)65-35-15-29(54)48(22(5)63-35)68-37-14-28(53)44(56)20(3)61-37/h7-8,11-12,19-23,27-31,33-38,44-45,48-57H,9-10,13-17H2,1-6H3/t19-,20+,21+,22+,23+,27+,28+,29+,30+,31?,33+,34-,35?,36-,37?,38?,44+,45+,48?,49?/m0/s1", "name": "Landomycin B", "names": [ "Landomycin B" ] }, { "compound_id": "C18824", "inchi": "InChI=1S/C43H54O17/c1-16-10-21-12-24(46)36-38(34(21)23(45)11-16)42(52)35-22(44)6-7-28(37(35)41(36)51)58-32-14-26(48)43(20(5)56-32)60-33-15-29(40(50)19(4)55-33)59-30-9-8-27(17(2)53-30)57-31-13-25(47)39(49)18(3)54-31/h6-7,10-11,17-20,24-27,29-33,39-40,43-50H,8-9,12-15H2,1-5H3/t17-,18+,19+,20+,24+,25+,26+,27?,29+,30-,31?,32-,33?,39+,40+,43?/m0/s1", "name": "Landomycin J", "names": [ "Landomycin J" ] }, { "compound_id": "C18825", "inchi": "InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)/t6-,7+,8-,12+/m0/s1", "name": "Dikegulac", "names": [ "Dikegulac", "Diprogulic acid" ] }, { "compound_id": "C18826", "inchi": "InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3", "name": "Dithiopyr", "names": [ "Dithiopyr" ] }, { "compound_id": "C18827", "inchi": "InChI=1S/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3", "name": "Ethalfluralin", "names": [ "Ethalfluralin" ] }, { "compound_id": "C18828", "inchi": "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)", "name": "Ethirimol", "names": [ "Ethirimol" ] }, { "compound_id": "C18829", "inchi": "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3", "name": "Ethofumesate", "names": [ "Ethofumesate" ] }, { "compound_id": "C18830", "inchi": "InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3", "name": "Ethyl 3-(N-butylacetamido)propionate", "names": [ "Ethyl 3-(N-butylacetamido)propionate", "Ethyl butylacetylaminopropionate" ] }, { "compound_id": "C18831", "inchi": "InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3", "name": "Fenchlorazole-ethyl", "names": [ "Fenchlorazole-ethyl" ] }, { "compound_id": "C18832", "inchi": "InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H", "name": "Fenclorim", "names": [ "Fenclorim" ] }, { "compound_id": "C18833", "inchi": "InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)", "name": "Fenfuram", "names": [ "Fenfuram" ] }, { "compound_id": "C18834", "inchi": "InChI=1S/C27H44N7O19P3S/c1-4-5-14(25(39)40)26(41)57-9-8-29-16(35)6-7-30-23(38)20(37)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-19(52-54(42,43)44)18(36)24(51-15)34-13-33-17-21(28)31-12-32-22(17)34/h12-15,18-20,24,36-37H,4-11H2,1-3H3,(H,29,35)(H,30,38)(H,39,40)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t14?,15-,18-,19-,20?,24-/m1/s1", "name": "Propylmalonyl-CoA", "names": [ "Propylmalonyl-CoA" ] }, { "compound_id": "C18835", "inchi": "InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m1/s1", "name": "(R)-DNPA", "names": [ "(R)-DNPA" ] }, { "compound_id": "C18836", "inchi": "InChI=1S/C16H16O6/c1-8-4-9(17)5-13(22-3)14(8)16(20)15-11(18)6-10(21-2)7-12(15)19/h4-7,17-19H,1-3H3", "name": "Griseophenone C", "names": [ "Griseophenone C" ] }, { "compound_id": "C18837", "inchi": "InChI=1S/C16H15ClO6/c1-7-4-8(18)5-10(22-2)12(7)15(20)13-9(19)6-11(23-3)14(17)16(13)21/h4-6,18-19,21H,1-3H3", "name": "Griseophenone B", "names": [ "Griseophenone B" ] }, { "compound_id": "C18838", "inchi": "InChI=1S/C17H15ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h5-7H,1-4H3/t17-/m0/s1", "name": "Dehydrogriseofulvin", "names": [ "Dehydrogriseofulvin" ] }, { "compound_id": "C18839", "inchi": "InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24+,27+,28-,30?,31-,32-,33?,34+,35+,36?,37+,42+,43+,44-,45-,48+,49+,52+,53?/m1/s1", "name": "Prechromomycin B", "names": [ "Prechromomycin B" ] }, { "compound_id": "C18840", "inchi": "InChI=1S/C17H14O5/c1-2-3-8-4-9(18)5-11-14(8)17(22)15-12(16(11)21)6-10(19)7-13(15)20/h4-7,18-20H,2-3H2,1H3", "name": "R1128A", "names": [ "R1128A" ] }, { "compound_id": "C18841", "inchi": "InChI=1S/C18H16O5/c1-2-3-4-9-5-10(19)6-12-15(9)18(23)16-13(17(12)22)7-11(20)8-14(16)21/h5-8,19-21H,2-4H2,1H3", "name": "R1128B", "names": [ "R1128B" ] }, { "compound_id": "C18842", "inchi": "InChI=1S/C19H18O5/c1-9(2)3-4-10-5-11(20)6-13-16(10)19(24)17-14(18(13)23)7-12(21)8-15(17)22/h5-9,20-22H,3-4H2,1-2H3", "name": "R1128C", "names": [ "R1128C" ] }, { "compound_id": "C18843", "inchi": "InChI=1S/C19H18O5/c1-2-3-4-5-10-6-11(20)7-13-16(10)19(24)17-14(18(13)23)8-12(21)9-15(17)22/h6-9,20-22H,2-5H2,1H3", "name": "R1128D", "names": [ "R1128D" ] }, { "compound_id": "C18844", "inchi": "InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28-,29-,30+,31+,32+,33?,34-,37?,38?,39-,40-,41-,42?,43+,44+,45?,46-/m1/s1", "name": "Spiramycin III", "names": [ "Spiramycin III" ] }, { "compound_id": "C18845", "inchi": "InChI=1S/C37H61NO12/c1-11-27-24(18-45-37-35(44-10)34(43-9)30(41)23(6)47-37)33-28(49-33)14-13-26(39)20(3)16-21(4)32(19(2)12-15-29(40)48-27)50-36-31(42)25(38(7)8)17-22(5)46-36/h12-15,19-25,27-28,30-37,41-42H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24+,25-,27+,28+,30+,31+,32+,33+,34+,35+,36-,37+/m0/s1", "name": "Mycinamicin I", "names": [ "Mycinamicin I" ] }, { "compound_id": "C18846", "inchi": "InChI=1/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1", "name": "Mycinamicin IV", "names": [ "Mycinamicin IV" ] }, { "compound_id": "C18847", "inchi": "InChI=1/C37H61NO12/c1-11-28-37(43,20-46-36-34(45-10)33(44-9)30(41)25(6)48-36)17-13-12-14-27(39)22(3)18-23(4)32(21(2)15-16-29(40)49-28)50-35-31(42)26(38(7)8)19-24(5)47-35/h12-17,21-26,28,30-36,41-43H,11,18-20H2,1-10H3/b14-12+,16-15+,17-13+/t21-,22+,23-,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+,37-/m0/s1", "name": "Mycinamicin V", "names": [ "Mycinamicin V" ] }, { "compound_id": "C18848", "inchi": "InChI=1S/C20H30O5/c1-12-8-6-7-9-17(21)13(2)10-14(3)20(24)15(4)18(22)11-19(23)25-16(12)5/h6-9,12-16,20,24H,10-11H2,1-5H3/b8-6+,9-7+/t12-,13+,14-,15-,16+,20-/m0/s1", "name": "Chalcolactone", "names": [ "Chalcolactone" ] }, { "compound_id": "C18849", "inchi": "InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3", "name": "Flumetralin", "names": [ "Flumetralin" ] }, { "compound_id": "C18850", "inchi": "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3", "name": "Florasulam", "names": [ "Florasulam" ] }, { "compound_id": "C18851", "inchi": "InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1", "name": "Flucarbazone-sodium", "names": [ "Flucarbazone-sodium" ] }, { "compound_id": "C18852", "inchi": "InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3", "name": "Flumetsulam", "names": [ "Flumetsulam" ] }, { "compound_id": "C18853", "inchi": "InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)", "name": "Fluometuron", "names": [ "Fluometuron" ] }, { "compound_id": "C18854", "inchi": "InChI=1S/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)", "name": "Flupropanate", "names": [ "Flupropanate" ] }, { "compound_id": "C18855", "inchi": "InChI=1/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/f/h22-23H;", "name": "Flupyrsulfuron-methyl sodium", "names": [ "Flupyrsulfuron-methyl sodium" ] }, { "compound_id": "C18856", "inchi": "InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)", "name": "Flurecol", "names": [ "Flurecol" ] }, { "compound_id": "C18857", "inchi": "InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3", "name": "Fluridone", "names": [ "Fluridone" ] }, { "compound_id": "C18858", "inchi": "InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)", "name": "Fluroxypyr", "names": [ "Fluroxypyr" ] }, { "compound_id": "C18859", "inchi": "InChI=1S/C14H13ClFN3O3S2/c15-8-5-9(16)10(6-11(8)23-7-12(20)21)17-13-18-3-1-2-4-19(18)14(22)24-13/h5-6H,1-4,7H2,(H,20,21)/b17-13-", "name": "Fluthiacet", "names": [ "Fluthiacet" ] }, { "compound_id": "C18860", "inchi": "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H", "name": "Folpet", "names": [ "Folpet" ] }, { "compound_id": "C18861", "inchi": "InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)", "name": "Hexaflumuron", "names": [ "Hexaflumuron" ] }, { "compound_id": "C18862", "inchi": "InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+", "name": "Hydroprene", "names": [ "Hydroprene" ] }, { "compound_id": "C18863", "inchi": "InChI=1S/C10H22OS/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3", "name": "2-(Octylthio)ethanol", "names": [ "2-(Octylthio)ethanol", "2-Hydroxyethyl octyl sulphide" ] }, { "compound_id": "C18864", "inchi": "InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)", "name": "Imazapyr", "names": [ "Imazapyr" ] }, { "compound_id": "C18865", "inchi": "InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)", "name": "Imazethapyr", "names": [ "Imazethapyr" ] }, { "compound_id": "C18866", "inchi": "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1", "name": "Iprovalicarb", "names": [ "Iprovalicarb" ] }, { "compound_id": "C18867", "inchi": "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3", "name": "Metosulam", "names": [ "Metosulam" ] }, { "compound_id": "C18868", "inchi": "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3", "name": "Napropamide", "names": [ "Napropamide" ] }, { "compound_id": "C18869", "inchi": "InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)", "name": "Naptalam", "names": [ "N-1-Naphthylphthalamic acid", "Naptalam" ] }, { "compound_id": "C18870", "inchi": "InChI=1S/C20H32N6O12S2Se/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-41-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1", "name": "Selenodiglutathione", "names": [ "GSSeSG", "Selenodiglutathione" ] }, { "compound_id": "C18871", "inchi": "InChI=1S/C10H17N3O6SSe/c11-5(10(18)19)1-2-7(14)13-6(4-20-21)9(17)12-3-8(15)16/h5-6,21H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1", "name": "Glutathioselenol", "names": [ "GSSeH", "Glutathioselenol" ] }, { "compound_id": "C18872", "inchi": "InChI=1S/C3H9Se/c1-4(2)3/h1-3H3/q+1", "name": "Trimethylselenonium", "names": [ "Trimethylselenonium" ] }, { "compound_id": "C18873", "inchi": "InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3", "name": "Nitrothal-isopropyl", "names": [ "Nitrothal-isopropyl" ] }, { "compound_id": "C18874", "inchi": "InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3", "name": "Norflurazon", "names": [ "Norflurazon" ] }, { "compound_id": "C18875", "inchi": "InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)", "name": "Novaluron", "names": [ "Novaluron" ] }, { "compound_id": "C18876", "inchi": "InChI=1S/C17H7Cl2F9N2O3/c18-5-4-8(29-15(32)30-13(31)9-6(20)2-1-3-7(9)21)11(22)10(19)12(5)33-17(27,28)14(23)16(24,25)26/h1-4,14H,(H2,29,30,31,32)", "name": "Noviflumuron", "names": [ "Noviflumuron" ] }, { "compound_id": "C18877", "inchi": "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)", "name": "Oryzalin", "names": [ "Oryzalin" ] }, { "compound_id": "C18878", "inchi": "InChI=1S/C12H12N2O3/c13-8-11(10-4-2-1-3-5-10)14-17-9-12-15-6-7-16-12/h1-5,12H,6-7,9H2/b14-11-", "name": "Oxabetrinil", "names": [ "Oxabetrinil" ] }, { "compound_id": "C18879", "inchi": "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2", "name": "Oxine-copper", "names": [ "Copper 8-hydroxyquinoline", "Oxine-copper" ] }, { "compound_id": "C18880", "inchi": "InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3", "name": "Piperonyl butoxide", "names": [ "Piperonyl butoxide" ] }, { "compound_id": "C18881", "inchi": "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3", "name": "Oxyfluorfen", "names": [ "Oxyfluorfen" ] }, { "compound_id": "C18882", "inchi": "InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)", "name": "Pentanochlor", "names": [ "Pentanochlor" ] }, { "compound_id": "C18883", "inchi": "InChI=1S/C14H10F4N4O7S/c15-11(16)28-8-5-9(29-12(17)18)20-13(19-8)21-14(25)22-30(26,27)7-4-2-1-3-6(7)10(23)24/h1-5,11-12H,(H,23,24)(H2,19,20,21,22,25)", "name": "Primisulfuron", "names": [ "Primisulfuron" ] }, { "compound_id": "C18884", "inchi": "InChI=1S/C13H17F3N4O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(14,15)16)10(17)12(11)20(23)24/h7H,3-6,17H2,1-2H3", "name": "Prodiamine", "names": [ "Prodiamine" ] }, { "compound_id": "C18885", "inchi": "InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)", "name": "Propamocarb", "names": [ "Propamocarb" ] }, { "compound_id": "C18886", "inchi": "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1", "name": "Propaquizafop", "names": [ "Propaquizafop" ] }, { "compound_id": "C18887", "inchi": "InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)", "name": "Propham", "names": [ "Propham" ] }, { "compound_id": "C18888", "inchi": "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)", "name": "Prothioconazole", "names": [ "Prothioconazole" ] }, { "compound_id": "C18889", "inchi": "InChI=1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21)", "name": "Pyrazosulfuron", "names": [ "Pyrazosulfuron" ] }, { "compound_id": "C18890", "inchi": "InChI=1S/C16H17N3O6/c1-9(19-24-4)10-6-5-7-11(14(10)15(20)21)25-16-17-12(22-2)8-13(18-16)23-3/h5-8H,1-4H3,(H,20,21)/b19-9+", "name": "Pyriminobac", "names": [ "Pyriminobac" ] }, { "compound_id": "C18891", "inchi": "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)", "name": "Quinmerac", "names": [ "Quinmerac" ] }, { "compound_id": "C18892", "inchi": "InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H", "name": "Quinoxyfen", "names": [ "Quinoxyfen" ] }, { "compound_id": "C18893", "inchi": "InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9+/m1/s1", "name": "1-Methylseleno-N-acetyl-D-galactosamine", "names": [ "1-Methylseleno-N-acetyl-D-galactosamine" ] }, { "compound_id": "C18894", "inchi": "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37?,39+,40-,41-,42+/m1/s1", "name": "Spinetoram", "names": [ "Spinetoram" ] }, { "compound_id": "C18895", "inchi": "InChI=1S/C14H14N4O5S/c1-8-7-9(2)16-13(15-8)17-14(21)18-24(22,23)11-6-4-3-5-10(11)12(19)20/h3-7H,1-2H3,(H,19,20)(H2,15,16,17,18,21)", "name": "Sulfometuron", "names": [ "Sulfometuron" ] }, { "compound_id": "C18896", "inchi": "InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3", "name": "Tebutam", "names": [ "Butam", "Tebutam" ] }, { "compound_id": "C18897", "inchi": "InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H", "name": "Tecnazene", "names": [ "2,3,5,6-Tetrachloro-1-nitrobenzene", "Tecnazene" ] }, { "compound_id": "C18898", "inchi": "InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3", "name": "Tiocarbazil", "names": [ "Thiocarbazil", "Tiocarbazil" ] }, { "compound_id": "C18899", "inchi": "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3", "name": "Tolylfluanid", "names": [ "Tolylfluanid" ] }, { "compound_id": "C18900", "inchi": "InChI=1S/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21)", "name": "Tribenuron", "names": [ "Tribenuron" ] }, { "compound_id": "C18901", "inchi": "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)", "name": "Triflusulfuron-methyl", "names": [ "Triflusulfuron-methyl" ] }, { "compound_id": "C18902", "inchi": "InChI=1S/CH4O2Se/c1-4(2)3/h1H3,(H,2,3)", "name": "Methylselenic acid", "names": [ "Methylselenic acid", "Methylseleninate" ] }, { "compound_id": "C18903", "inchi": "InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)", "name": "Zoxamide", "names": [ "Zoxamide" ] }, { "compound_id": "C18904", "inchi": "InChI=1S/C4H6O3Se/c1-8-2-3(5)4(6)7/h2H2,1H3,(H,6,7)", "name": "Methylselenopyruvate", "names": [ "Methylselenopyruvate", "beta-Methylselenopyruvate" ] }, { "compound_id": "C18905", "inchi": "InChI=1S/C4H9NO3Se/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1", "name": "Methylselenocysteine Se-oxide", "names": [ "Methylselenocysteine Se-oxide", "Methylselenocysteine selenooxide" ] }, { "compound_id": "C18906", "inchi": "InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+", "name": "Aldoxycarb", "names": [ "Aldoxycarb" ] }, { "compound_id": "C18907", "inchi": "InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)", "name": "Benodanil", "names": [ "Benodanil" ] }, { "compound_id": "C18908", "inchi": "InChI=1S/C9H7Cl5N2O/c10-6-2-1-5(3-7(6)11)16-8(15-4-17)9(12,13)14/h1-4,8,16H,(H,15,17)", "name": "Chloraniformethan", "names": [ "Chloraniformethan" ] }, { "compound_id": "C18909", "inchi": "InChI=1S/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2", "name": "Cyprofuram", "names": [ "Cyprofuram" ] }, { "compound_id": "C18910", "inchi": "InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1", "name": "2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one", "names": [ "2,5-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5'-phosphate", "2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one" ] }, { "compound_id": "C18911", "inchi": "InChI=1S/C6H13O7P/c1-6(2,4(7)5(8)9)3-13-14(10,11)12/h4,7H,3H2,1-2H3,(H,8,9)(H2,10,11,12)/t4-/m0/s1", "name": "(R)-4-Phosphopantoate", "names": [ "(R)-4-Phosphopantoate" ] }, { "compound_id": "C18912", "inchi": "InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3", "name": "Furmecyclox", "names": [ "Furmecyclox" ] }, { "compound_id": "C18913", "inchi": "InChI=1S/C14H13NO/c1-11-7-5-6-10-13(11)14(16)15-12-8-3-2-4-9-12/h2-10H,1H3,(H,15,16)", "name": "Mebenil", "names": [ "Mebenil" ] }, { "compound_id": "C18914", "inchi": "InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)", "name": "Pyracarbolid", "names": [ "Pyracarbolid" ] }, { "compound_id": "C18915", "inchi": "InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)", "name": "Salicylanilide", "names": [ "Salicylanilide" ] }, { "compound_id": "C18916", "inchi": "InChI=1S/C13H16Cl3NO3/c1-2-3-8-20-12(13(14,15)16)17-11(19)9-6-4-5-7-10(9)18/h4-7,12,18H,2-3,8H2,1H3,(H,17,19)", "name": "Trichlamide", "names": [ "Trichlamide" ] }, { "compound_id": "C18917", "inchi": "InChI=1S/C16H19N5O3/c1-24-16(23)20-14-19-12-8-4-5-9-13(12)21(14)15(22)18-11-7-3-2-6-10-17/h4-5,8-9H,2-3,6-7,11H2,1H3,(H,18,22)(H,19,20,23)", "name": "Cypendazole", "names": [ "Cypendazole" ] }, { "compound_id": "C18918", "inchi": "InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)", "name": "Thiophanate", "names": [ "Thiophanate" ] }, { "compound_id": "C18919", "inchi": "InChI=1S/C15H14Cl2F3N3O2/c16-10-1-2-11(12(17)5-10)14(6-23-9-21-8-22-23)4-3-13(25-14)24-7-15(18,19)20/h1-2,5,8-9,13H,3-4,6-7H2/t13-,14+/m1/s1", "name": "Furconazole-cis", "names": [ "Furconazole-cis" ] }, { "compound_id": "C18920", "inchi": "InChI=1S/C7H3ClF3N3/c8-3-1-4-5(12-2-3)14-6(13-4)7(9,10)11/h1-2H,(H,12,13,14)", "name": "Fluoromidine", "names": [ "Fluoromidine" ] }, { "compound_id": "C18921", "inchi": "InChI=1S/C12H11Cl2NO4/c1-12(6-18-2)10(16)15(11(17)19-12)9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3", "name": "Myclozolin", "names": [ "Myclozolin" ] }, { "compound_id": "C18922", "inchi": "InChI=1S/C16H22N2O7/c1-11(2)7-5-4-6-8-12-9-13(17(20)21)10-14(18(22)23)15(12)25-16(19)24-3/h9-11H,4-8H2,1-3H3", "name": "Dinocton 6", "names": [ "Dinocton 6" ] }, { "compound_id": "C18923", "inchi": "InChI=1S/C8H16N2OS2/c1-9(2)8(12)13-7-10-3-5-11-6-4-10/h3-7H2,1-2H3", "name": "Carbamorph", "names": [ "Carbamorph" ] }, { "compound_id": "C18924", "inchi": "InChI=1S/C13H11N3O2/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(16-18)9-7-11/h1-9,18H,(H,15,17)/b14-11-,16-12+", "name": "Benquinox", "names": [ "Benquinox" ] }, { "compound_id": "C18925", "inchi": "InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3", "name": "Ditalimfos", "names": [ "Ditalimfos" ] }, { "compound_id": "C18926", "inchi": "InChI=1S/C14H11Cl4O4P/c1-2-20-23(19,21-13-5-3-9(15)7-11(13)17)22-14-6-4-10(16)8-12(14)18/h3-8H,2H2,1H3", "name": "Phosdiphen", "names": [ "Phosdiphen" ] }, { "compound_id": "C18927", "inchi": "InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)", "name": "Triamiphos", "names": [ "Triamiphos" ] }, { "compound_id": "C18928", "inchi": "InChI=1S/C11H9Cl2NO3/c1-11(2)9(15)14(10(16)17-11)8-4-6(12)3-7(13)5-8/h3-5H,1-2H3", "name": "Dichlozoline", "names": [ "Dichlozoline" ] }, { "compound_id": "C18929", "inchi": "InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,12H,1H3/b13-9-", "name": "Drazoxolon", "names": [ "Drazoxolon" ] }, { "compound_id": "C18930", "inchi": "InChI=1S/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3/b23-20+", "name": "Buthiobate", "names": [ "Buthiobate" ] }, { "compound_id": "C18931", "inchi": "InChI=1S/C13H5Cl2N3/c14-12-9(6-16)11(8-4-2-1-3-5-8)10(7-17)13(15)18-12/h1-5H", "name": "Pyridinitril", "names": [ "Pyridinitril" ] }, { "compound_id": "C18932", "inchi": "InChI=1S/C17H12Cl2N2O/c18-14-6-7-15(16(19)8-14)17(22,12-4-2-1-3-5-12)13-9-20-11-21-10-13/h1-11,22H", "name": "Triarimol", "names": [ "Triarimol" ] }, { "compound_id": "C18933", "inchi": "InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11", "name": "Chloranil", "names": [ "2,3,5,6-Tetrachloro-1,4-benzoquinone", "Chloranil", "p-Chloranil" ] }, { "compound_id": "C18934", "inchi": "InChI=1S/C12H12N2OS/c1-8-11(16-9(2)13-8)12(15)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15)", "name": "Metsulfovax", "names": [ "Metsulfovax" ] }, { "compound_id": "C18935", "inchi": "InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)", "name": "Anilazine", "names": [ "Anilazine" ] }, { "compound_id": "C18936", "inchi": "InChI=1S/C8H2Cl4N2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H", "name": "Chlorquinox", "names": [ "5,6,7,8-Tetrachloroquinoxaline", "Chlorquinox" ] }, { "compound_id": "C18937", "inchi": "InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1", "name": "Fenaminosulf", "names": [ "Fenaminosulf", "para-Dimethylaminoazobenzenediazo sodium sulfonate" ] }, { "compound_id": "C18938", "inchi": "InChI=1S/C13H15NO6/c1-9(15)19-8-12(14(17)18)13(20-10(2)16)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3/t12-,13+/m1/s1", "name": "Fenitropan", "names": [ "Fenitropan" ] }, { "compound_id": "C18939", "inchi": "InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H", "name": "Fluotrimazole", "names": [ "Fluotrimazole" ] }, { "compound_id": "C18940", "inchi": "InChI=1S/C20H40N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-2(3)4/h2-19H2,1H3,(H,21,22);1H3,(H,3,4)", "name": "Glyodin", "names": [ "Glyodin", "Glyodin acetate" ] }, { "compound_id": "C18941", "inchi": "InChI=1S/C12H7BrClNO2/c1-2-10(16)17-12-8(13)6-9(14)7-4-3-5-15-11(7)12/h2-6H,1H2", "name": "Halacrinate", "names": [ "Halacrinate" ] }, { "compound_id": "C18942", "inchi": "InChI=1S/C13H16N4O3S/c1-20-13(19)16-11-15-9-5-3-4-6-10(9)17(11)12(18)14-7-8-21-2/h3-6H,7-8H2,1-2H3,(H,14,18)(H,15,16,19)", "name": "Mecarbinzid", "names": [ "Mecarbinzid" ] }, { "compound_id": "C18943", "inchi": "InChI=1S/C8H18N2OS/c1-4-12-8(11)9-6-5-7-10(2)3/h4-7H2,1-3H3,(H,9,11)", "name": "Prothiocarb", "names": [ "Prothiocarb" ] }, { "compound_id": "C18944", "inchi": "InChI=1S/2C11H9NO2.H2O4S/c2*1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11;1-5(2,3)4/h2*2-6,14H,1H3;(H2,1,2,3,4)", "name": "Quinacetol sulfate", "names": [ "Quinacetol", "Quinacetol sulfate" ] }, { "compound_id": "C18945", "inchi": "InChI=1S/C8H5ClN2OS2/c1-2-14(12)8-5(3-10)7(9)6(4-11)13-8/h2H2,1H3", "name": "Thicyofen", "names": [ "Thicyofen" ] }, { "compound_id": "C18946", "inchi": "InChI=1S/C9H4N2S3/c12-9-13-7-8(14-9)11-6-4-2-1-3-5(6)10-7/h1-4H", "name": "Thioquinox", "names": [ "Thioquinox" ] }, { "compound_id": "C18947", "inchi": "InChI=1S/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19)", "name": "Allyxycarb", "names": [ "Allyxycarb" ] }, { "compound_id": "C18948", "inchi": "InChI=1S/2C13H19NO2/c1-4-6-10(2)11-7-5-8-12(9-11)16-13(15)14-3;1-4-10(5-2)11-7-6-8-12(9-11)16-13(15)14-3/h5,7-10H,4,6H2,1-3H3,(H,14,15);6-10H,4-5H2,1-3H3,(H,14,15)", "name": "Bufencarb", "names": [ "Bufencarb" ] }, { "compound_id": "C18949", "inchi": "InChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)", "name": "Butacarb", "names": [ "Butacarb" ] }, { "compound_id": "C18950", "inchi": "InChI=1S/C10H12ClNO2/c1-6-4-5-8(9(11)7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)", "name": "Carbanolate", "names": [ "Carbanolate" ] }, { "compound_id": "C18951", "inchi": "InChI=1S/C11H14ClNO4/c1-13-11(14)17-9-6-4-3-5-8(9)16-10(7-12)15-2/h3-6,10H,7H2,1-2H3,(H,13,14)", "name": "Cloethocarb", "names": [ "Cloethocarb" ] }, { "compound_id": "C18952", "inchi": "InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)", "name": "Mexacarbate", "names": [ "Mexacarbate", "Zectran" ] }, { "compound_id": "C18953", "inchi": "InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)", "name": "Dioxacarb", "names": [ "Dioxacarb" ] }, { "compound_id": "C18954", "inchi": "InChI=1S/C9H15N3O2/c1-9(2,5-4-6-10)7-12-14-8(13)11-3/h7H,4-5H2,1-3H3,(H,11,13)/b12-7+", "name": "Nitrilacarb", "names": [ "Nitrilacarb" ] }, { "compound_id": "C18955", "inchi": "InChI=1S/C16H23NO3/c1-5-6-14(18)10-17-16(19)20-15-8-12(4)7-13(9-15)11(2)3/h7-9,11H,5-6,10H2,1-4H3,(H,17,19)", "name": "Promacyl", "names": [ "Promacyl" ] }, { "compound_id": "C18956", "inchi": "InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)", "name": "Promecarb", "names": [ "Promecarb" ] }, { "compound_id": "C18957", "inchi": "InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)", "name": "2,3,5-Trimethacarb", "names": [ "2,3,5-Trimethacarb" ] }, { "compound_id": "C18958", "inchi": "InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2", "name": "Bromocyclen", "names": [ "Bromociclen", "Bromocyclen" ] }, { "compound_id": "C18959", "inchi": "InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2", "name": "Chlorbicyclen", "names": [ "Chlorbicyclen" ] }, { "compound_id": "C18960", "inchi": "InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H", "name": "Isobenzan", "names": [ "Isobenzan", "Telodrin" ] }, { "compound_id": "C18961", "inchi": "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5-,6+,7?,10+,11+/m1/s1", "name": "Isodrin", "names": [ "Isodrin" ] }, { "compound_id": "C18962", "inchi": "InChI=1S/C17H12Cl10O4/c1-2-31-7(29)4-3-6(28)5-8(30)9(18)11(20)13(22)10(8,19)14(23)12(9,21)15(11,24)17(26,27)16(13,14)25/h30H,2-5H2,1H3", "name": "Kelevan", "names": [ "Kelevan" ] }, { "compound_id": "C18963", "inchi": "InChI=1S/C7H16NO4PS2/c1-10-5-4-8-7(9)6-15-13(14,11-2)12-3/h4-6H2,1-3H3,(H,8,9)", "name": "Amidithion", "names": [ "Amidithion" ] }, { "compound_id": "C18964", "inchi": "InChI=1S/C8H15N2O4PS3/c1-4-13-15(16,14-5-2)17-6-10-8(11)18-7(9-10)12-3/h4-6H2,1-3H3", "name": "Athidathion", "names": [ "Athidathion" ] }, { "compound_id": "C18965", "inchi": "InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3", "name": "Bromofos", "names": [ "Bromofos" ] }, { "compound_id": "C18966", "inchi": "InChI=1S/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3", "name": "Bromophos-ethyl", "names": [ "Bromophos-ethyl" ] }, { "compound_id": "C18967", "inchi": "InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3", "name": "Butonate", "names": [ "Butonate" ] }, { "compound_id": "C18968", "inchi": "InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3", "name": "Carbophenothion", "names": [ "Carbophenothion" ] }, { "compound_id": "C18969", "inchi": "InChI=1S/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3/b15-12+", "name": "Chlorphoxim", "names": [ "Chlorphoxim" ] }, { "compound_id": "C18970", "inchi": "InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3", "name": "Chlorthiophos", "names": [ "Chlorthiophos" ] }, { "compound_id": "C18971", "inchi": "InChI=1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+", "name": "Crotoxyphos", "names": [ "Crotoxyfos", "Crotoxyphos" ] }, { "compound_id": "C18972", "inchi": "InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)", "name": "Crufomate", "names": [ "Crufomate" ] }, { "compound_id": "C18973", "inchi": "InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3", "name": "Cyanofenphos", "names": [ "Cyanofenphos" ] }, { "compound_id": "C18974", "inchi": "InChI=1S/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13)", "name": "Cyanthoate", "names": [ "Cyanthoate" ] }, { "compound_id": "C18975", "inchi": "InChI=1S/C5H13O3PS2/c1-6-9(10,7-2)8-4-5-11-3/h4-5H2,1-3H3", "name": "Demephion-O", "names": [ "Demephion-O" ] }, { "compound_id": "C18976", "inchi": "InChI=1S/C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3/h4-5H2,1-3H3", "name": "Demephion-S", "names": [ "Demephion-S" ] }, { "compound_id": "C18977", "inchi": "InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3", "name": "Demeton-O", "names": [ "Demeton-O" ] }, { "compound_id": "C18978", "inchi": "InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3", "name": "Demeton-S", "names": [ "Demeton-S" ] }, { "compound_id": "C18979", "inchi": "InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3", "name": "Demeton-S-methylsulphon", "names": [ "Demeton-S-methylsulphon" ] }, { "compound_id": "C18980", "inchi": "InChI=1S/C4H12FN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3", "name": "Dimefox", "names": [ "Dimefox" ] }, { "compound_id": "C18981", "inchi": "InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3", "name": "Salithion", "names": [ "Dioxabenzofos", "Salithion" ] }, { "compound_id": "C18982", "inchi": "InChI=1S/C9H13O6PS/c1-12-9-5-15-7(4-8(9)10)6-17-16(11,13-2)14-3/h4-5H,6H2,1-3H3", "name": "Endothion", "names": [ "Endothion" ] }, { "compound_id": "C18983", "inchi": "InChI=1S/C6H14NO3PS2/c1-4-7-6(8)5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)", "name": "Ethoate-methyl", "names": [ "Ethoate-methyl" ] }, { "compound_id": "C18984", "inchi": "InChI=1S/C7H17O4PS2/c1-5-14(9)6-7(2)13-12(8,10-3)11-4/h7H,5-6H2,1-4H3", "name": "Oxydeprofos", "names": [ "Oxydeprofos" ] }, { "compound_id": "C18985", "inchi": "InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3", "name": "Etrimfos", "names": [ "Etrimfos" ] }, { "compound_id": "C18986", "inchi": "InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3", "name": "Fenchlorphos", "names": [ "Fenchlorphos", "Fenclofos", "Ronnel" ] }, { "compound_id": "C18987", "inchi": "InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3", "name": "Fonofos", "names": [ "Dyphonate", "Fonofos" ] }, { "compound_id": "C18988", "inchi": "InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3", "name": "Formothion", "names": [ "Formothion" ] }, { "compound_id": "C18989", "inchi": "InChI=1S/C13H19ClNO3PS2/c1-4-7-13(16)15(10-21-19(20,17-2)18-3)12-9-6-5-8-11(12)14/h5-6,8-9H,4,7,10H2,1-3H3", "name": "Fosmethilan", "names": [ "Fosmethilan" ] }, { "compound_id": "C18990", "inchi": null, "name": "PB1-F2", "names": [ "PB1-F2" ] }, { "compound_id": "C18991", "inchi": null, "name": "Protein P", "names": [ "Measles Phosphoprotein", "Protein P" ] }, { "compound_id": "C18992", "inchi": "InChI=1S/C2H2Cl2.C2H3Cl/c1-2(3)4;1-2-3/h1H2;2H,1H2", "name": "Vinylidene chloride-vinyl chloride copolymer", "names": [ "Saran", "Vinylidene chloride-vinyl chloride copolymer" ] }, { "compound_id": "C18993", "inchi": "InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3", "name": "2,5-Xylidine", "names": [ "2,5-Dimethyl-benzenamine", "2,5-Xylidine" ] }, { "compound_id": "C18994", "inchi": null, "name": "Accessory protein p12I", "names": [ "Accessory protein p12I" ] }, { "compound_id": "C18995", "inchi": null, "name": "P13 protein", "names": [ "P13 protein" ] }, { "compound_id": "C18996", "inchi": null, "name": "Accessory protein p30II", "names": [ "Accessory protein p30II" ] }, { "compound_id": "C18997", "inchi": null, "name": "Protein C", "names": [ "Protein C" ] }, { "compound_id": "C18998", "inchi": null, "name": "Non-structural protein V", "names": [ "Non-structural protein V" ] }, { "compound_id": "C18999", "inchi": "InChI=1S/C6H12NO3PS2/c1-3-9-11(8,10-4-2)7-6-12-5-13-6/h3-5H2,1-2H3", "name": "Fosthietan", "names": [ "Fosthietan" ] }, { "compound_id": "C19000", "inchi": "InChI=1S/C9H21O3PS3/c1-6-16(10)7-15-13(14,11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3", "name": "IPSP", "names": [ "IPSP" ] }, { "compound_id": "C19001", "inchi": "InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3", "name": "Isazofos", "names": [ "Isazofos" ] }, { "compound_id": "C19002", "inchi": "InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3", "name": "Iodofenphos", "names": [ "Iodofenphos", "Jodfenphos" ] }, { "compound_id": "C19003", "inchi": "InChI=1S/C13H10BrCl2O3PS/c1-17-20(21,18-9-5-3-2-4-6-9)19-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3", "name": "Leptophos", "names": [ "Leptophos" ] }, { "compound_id": "C19004", "inchi": "InChI=1S/C7H13N2O4PS3/c1-4-13-6-8-9(7(10)17-6)5-16-14(15,11-2)12-3/h4-5H2,1-3H3", "name": "Lythidathion", "names": [ "Lythidathion" ] }, { "compound_id": "C19005", "inchi": "InChI=1S/C7H14NO4PS2/c1-8(7(10)11-2)6(9)5-15-13(4,14)12-3/h5H2,1-4H3", "name": "Mecarphon", "names": [ "Mecarphon" ] }, { "compound_id": "C19006", "inchi": "InChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)", "name": "Menazon", "names": [ "Menazon" ] }, { "compound_id": "C19007", "inchi": "InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3/b9-8+", "name": "Mephosfolan", "names": [ "Mephosfolan" ] }, { "compound_id": "C19008", "inchi": "InChI=1S/C6H16FN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)", "name": "Mipafox", "names": [ "Mipafox" ] }, { "compound_id": "C19009", "inchi": "InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3", "name": "Oxydisulfoton", "names": [ "Oxydisulfoton" ] }, { "compound_id": "C19010", "inchi": "InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3", "name": "Phenkapton", "names": [ "Phenkapton" ] }, { "compound_id": "C19011", "inchi": "InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3", "name": "Phosfolan", "names": [ "Phosfolan" ] }, { "compound_id": "C19012", "inchi": "InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3", "name": "Pirimiphos-ethyl", "names": [ "Pirimiphos-ethyl", "Pirimiphosethyl" ] }, { "compound_id": "C19013", "inchi": "InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3", "name": "Propaphos", "names": [ "Propaphos" ] }, { "compound_id": "C19014", "inchi": "InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)", "name": "Prothoate", "names": [ "Prothoate" ] }, { "compound_id": "C19015", "inchi": "InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3", "name": "Schradan", "names": [ "Octamethyl pyrophosphortetramide", "Schradan" ] }, { "compound_id": "C19016", "inchi": "InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3", "name": "Sulprofos", "names": [ "Sulprofos" ] }, { "compound_id": "C19017", "inchi": "InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3", "name": "TEPP", "names": [ "TEPP", "Tetraethyl pyrophosphate" ] }, { "compound_id": "C19018", "inchi": "InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3", "name": "Trichloronat", "names": [ "Trichloronat" ] }, { "compound_id": "C19019", "inchi": "InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3", "name": "Aramite", "names": [ "Aramite" ] }, { "compound_id": "C19020", "inchi": "InChI=1S/C14H14ClN2O3PS/c1-18-21(22,19-2)20-14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3/b17-16+", "name": "Azothoate", "names": [ "Azothoate" ] }, { "compound_id": "C19021", "inchi": "InChI=1S/C18H18ClNO5/c1-4-20(25-18(22)12-8-6-5-7-9-12)17(21)15-14(23-2)11-10-13(19)16(15)24-3/h5-11H,4H2,1-3H3", "name": "Benzoximate", "names": [ "Benzoximate" ] }, { "compound_id": "C19022", "inchi": "InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3", "name": "Binapacryl", "names": [ "Binapacryl" ] }, { "compound_id": "C19023", "inchi": "InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3", "name": "Chlorfenethol", "names": [ "Chlorfenethol" ] }, { "compound_id": "C19024", "inchi": "InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H", "name": "Chlorfenson", "names": [ "Chlorfenson" ] }, { "compound_id": "C19025", "inchi": "InChI=1S/C12H6Cl4N2S/c13-7-1-3-8(4-2-7)19-18-17-12-6-10(15)9(14)5-11(12)16/h1-6H/b18-17+", "name": "Chlorfensulphide", "names": [ "Azosulfide", "Chlorfensulphide" ] }, { "compound_id": "C19026", "inchi": "InChI=1S/C10H13ClN2S/c1-7-6-8(11)4-5-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)", "name": "Chloromethiuron", "names": [ "Chloromethiuron" ] }, { "compound_id": "C19027", "inchi": "InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3", "name": "Chloropropylate", "names": [ "Chloropropylate" ] }, { "compound_id": "C19028", "inchi": "InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3", "name": "Dialifor", "names": [ "Dialifor" ] }, { "compound_id": "C19029", "inchi": "InChI=1S/C15H7Cl2F3N2O2/c16-9-6-11-12(7-10(9)17)22(13(21-11)15(18,19)20)14(23)24-8-4-2-1-3-5-8/h1-7H", "name": "Fenazaflor", "names": [ "Fenazaflor", "Tarzol" ] }, { "compound_id": "C19030", "inchi": "InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H", "name": "Fenson", "names": [ "Fenson" ] }, { "compound_id": "C19031", "inchi": "InChI=1S/C16H15FO2/c17-10-11-19-16(18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2", "name": "Fluenetil", "names": [ "Fluenetil" ] }, { "compound_id": "C19032", "inchi": "InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H", "name": "Tetrasul", "names": [ "Tetrasul" ] }, { "compound_id": "C19033", "inchi": "InChI=1S/CS2/c2-1-3", "name": "Carbon disulfide", "names": [ "Carbon disulfide" ] }, { "compound_id": "C19034", "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3", "name": "1,2-Dichloropropane", "names": [ "1,2-Dichloropropane" ] }, { "compound_id": "C19035", "inchi": "InChI=1S/C8H13N2O2P/c1-9-13(11,10-2)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,11)", "name": "Diamidafos", "names": [ "Diamidafos", "Nellite" ] }, { "compound_id": "C19036", "inchi": "InChI=1S/C8H13N2O3PS/c1-3-11-14(15,12-4-2)13-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3", "name": "Thionazin", "names": [ "Thionazin" ] }, { "compound_id": "C19037", "inchi": "InChI=1S/C13H19ClN2/c1-4-5-8-16(3)10-15-13-7-6-12(14)9-11(13)2/h6-7,9-10H,4-5,8H2,1-3H3/b15-10+", "name": "Chloromebuform", "names": [ "Chloromebuform" ] }, { "compound_id": "C19038", "inchi": "InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2", "name": "Dinex", "names": [ "Dinex" ] }, { "compound_id": "C19039", "inchi": "InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3", "name": "Malonoben", "names": [ "Malonoben" ] }, { "compound_id": "C19040", "inchi": "InChI=1S/F6Si.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1", "name": "Sodium hexafluorosilicate", "names": [ "Sodium hexafluorosilicate" ] }, { "compound_id": "C19041", "inchi": "InChI=1S/C17H10F6N4S/c18-16(19,20)25-14-13(24-11-7-3-1-4-8-11)27(12-9-5-2-6-10-12)15(28-14)26-17(21,22)23/h1-10H/b24-13+,25-14-,26-15-", "name": "Flubenzimine", "names": [ "Flubenzimine" ] }, { "compound_id": "C19042", "inchi": "InChI=1S/C18H28O2/c1-6-13-20-18(19)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h1,8,12,14-16H,7,9-11,13H2,2-5H3/b12-8+,17-14+", "name": "Kinoprene", "names": [ "Kinoprene" ] }, { "compound_id": "C19043", "inchi": "InChI=1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2", "name": "Allidochlor", "names": [ "Allidochlor" ] }, { "compound_id": "C19044", "inchi": "InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3", "name": "Benzoylprop-ethyl", "names": [ "Benzoylprop-ethyl" ] }, { "compound_id": "C19045", "inchi": "InChI=1S/C17H24ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h4,7-10H,5-6,11-13H2,1-3H3/b7-4+", "name": "Butenachlor", "names": [ "Butenachlor" ] }, { "compound_id": "C19046", "inchi": "InChI=1S/C10H9Cl2NO/c1-6(2)10(14)13-7-3-4-8(11)9(12)5-7/h3-5H,1H2,2H3,(H,13,14)", "name": "Chloranocryl", "names": [ "Chloranocryl" ] }, { "compound_id": "C19047", "inchi": "InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)", "name": "Isocarbamid", "names": [ "Isocarbamid" ] }, { "compound_id": "C19048", "inchi": "InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)", "name": "Quinonamid", "names": [ "Quinonamid" ] }, { "compound_id": "C19049", "inchi": "InChI=1S/C10H9Cl2NO/c11-8-4-3-7(5-9(8)12)13-10(14)6-1-2-6/h3-6H,1-2H2,(H,13,14)", "name": "Cypromid", "names": [ "Cypromid" ] }, { "compound_id": "C19050", "inchi": "InChI=1S/C15H22ClNO2/c1-11(2)9-19-10-17(14(18)8-16)15-12(3)6-5-7-13(15)4/h5-7,11H,8-10H2,1-4H3", "name": "Delachlor", "names": [ "Delachlor" ] }, { "compound_id": "C19051", "inchi": "InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3", "name": "Diethatyl-ethyl", "names": [ "Diethatyl-ethyl" ] }, { "compound_id": "C19052", "inchi": "InChI=1S/C16H13ClFNO3/c1-10(16(21)22)19(12-7-8-14(18)13(17)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)", "name": "Flamprop", "names": [ "Flamprop" ] }, { "compound_id": "C19053", "inchi": "InChI=1S/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)", "name": "Monalide", "names": [ "Monalide" ] }, { "compound_id": "C19054", "inchi": "InChI=1S/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3", "name": "Perfluidone", "names": [ "Perfluidone" ] }, { "compound_id": "C19055", "inchi": "InChI=1S/AsF6.K/c2-1(3,4,5,6)7;/q-1;+1", "name": "Hexaflurate", "names": [ "Hexaflurate", "Potassium hexafluoroarsenate" ] }, { "compound_id": "C19056", "inchi": "InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)", "name": "Chloramben", "names": [ "Chloramben" ] }, { "compound_id": "C19057", "inchi": "InChI=1S/C8H5Cl3O3/c1-14-7-4(10)2-3(9)6(11)5(7)8(12)13/h2H,1H3,(H,12,13)", "name": "Tricamba", "names": [ "Tricamba" ] }, { "compound_id": "C19058", "inchi": "InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)", "name": "Benzthiazuron", "names": [ "Benzthiazuron" ] }, { "compound_id": "C19059", "inchi": "InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)", "name": "Barban", "names": [ "Barban" ] }, { "compound_id": "C19060", "inchi": "InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)", "name": "Chlorbufam", "names": [ "Chlorbufam" ] }, { "compound_id": "C19061", "inchi": "InChI=1S/C19H22N2O4/c1-4-21(16-10-6-5-7-11-16)19(23)25-17-12-8-9-15(13-17)20-18(22)24-14(2)3/h5-14H,4H2,1-3H3,(H,20,22)", "name": "Phenisopham", "names": [ "Phenisopham" ] }, { "compound_id": "C19062", "inchi": "InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)", "name": "SWEP", "names": [ "SWEP" ] }, { "compound_id": "C19063", "inchi": "InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3", "name": "Isopropalin", "names": [ "Isopropalin" ] }, { "compound_id": "C19064", "inchi": "InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3", "name": "Nitralin", "names": [ "Nitralin" ] }, { "compound_id": "C19065", "inchi": "InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3", "name": "Profluralin", "names": [ "Profluralin" ] }, { "compound_id": "C19066", "inchi": "InChI=1S/C13H9Cl2NO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3", "name": "Chlomethoxyfen", "names": [ "Chlomethoxyfen" ] }, { "compound_id": "C19067", "inchi": "InChI=1S/CHNO.K/c2-1-3;/h3H;/q;+1/p-1", "name": "Potassium cyanate", "names": [ "Potassium cyanate" ] }, { "compound_id": "C19068", "inchi": "InChI=1S/C13H16N2O6/c1-7-9(14(17)18)6-10(15(19)20)12(21-8(2)16)11(7)13(3,4)5/h6H,1-5H3", "name": "Medinoterb acetate", "names": [ "Medinoterb acetate" ] }, { "compound_id": "C19069", "inchi": "InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H/b16-6+", "name": "Bromofenoxim", "names": [ "Bromofenoxim" ] }, { "compound_id": "C19070", "inchi": "InChI=1S/C15H13ClO4/c1-10(15(17)18)19-13-3-2-4-14(9-13)20-12-7-5-11(16)6-8-12/h2-10H,1H3,(H,17,18)", "name": "Clofop", "names": [ "Clofop" ] }, { "compound_id": "C19071", "inchi": "InChI=1S/C8H8Cl2O5S/c9-6-1-2-8(7(10)5-6)14-3-4-15-16(11,12)13/h1-2,5H,3-4H2,(H,11,12,13)", "name": "Disul", "names": [ "Disul" ] }, { "compound_id": "C19072", "inchi": "InChI=1S/C11H9Cl5O3/c1-11(15,16)10(17)19-3-2-18-9-5-7(13)6(12)4-8(9)14/h4-5H,2-3H2,1H3", "name": "Erbon", "names": [ "Erbon" ] }, { "compound_id": "C19073", "inchi": "InChI=1S/C17H16Cl2N2O4/c1-11(17(22)21-7-2-8-23-21)24-13-3-5-14(6-4-13)25-16-15(19)9-12(18)10-20-16/h3-6,9-11H,2,7-8H2,1H3", "name": "Isoxapyrifop", "names": [ "Isoxapyrifop" ] }, { "compound_id": "C19074", "inchi": "InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)", "name": "Buturon", "names": [ "Buturon" ] }, { "compound_id": "C19075", "inchi": "InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-4-3-5-14(10-12)20-13-8-6-11(16)7-9-13/h3-10H,1-2H3,(H,17,19)", "name": "Chloroxuron", "names": [ "Chloroxuron" ] }, { "compound_id": "C19076", "inchi": "InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-5-4-6-15(11-12)21-14-9-7-13(20-3)8-10-14/h4-11H,1-3H3,(H,17,19)", "name": "Difenoxuron", "names": [ "Difenoxuron" ] }, { "compound_id": "C19077", "inchi": "InChI=1S/C9H12N2O.C2HCl3O2/c1-11(2)9(12)10-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h3-7H,1-2H3,(H,10,12);(H,6,7)", "name": "Fenuron-TCA", "names": [ "Fenuron TCA", "Fenuron-TCA" ] }, { "compound_id": "C19078", "inchi": null, "name": "tRNA with a 3' cytidine", "names": [ "tRNA with a 3' cytidine" ] }, { "compound_id": "C19079", "inchi": "InChI=1S/C10H16O3/c1-7(2)8-4-5-10(3,12)13-9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10?/m1/s1", "name": "(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone", "names": [ "(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone", "(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one" ] }, { "compound_id": "C19080", "inchi": null, "name": "tRNA with a 3' CC end", "names": [ "tRNA with a 3' CC", "tRNA with a 3' CC end" ] }, { "compound_id": "C19081", "inchi": "InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m0/s1", "name": "(4S)-Limonene-1,2-epoxide", "names": [ "(4S)-Limonene-1,2-epoxide" ] }, { "compound_id": "C19082", "inchi": "InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1", "name": "(1R,2R,4S)-Limonene-1,2-diol", "names": [ "(1R,2R,4S)-Limonene-1,2-diol", "(1R,2R,4S)-Menth-8-ene-1,2-diol" ] }, { "compound_id": "C19083", "inchi": "InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m0/s1", "name": "(1R,4S)-1-Hydroxy-2-oxolimonene", "names": [ "(1R,4S)-1-Hydroxy-2-oxolimonene" ] }, { "compound_id": "C19084", "inchi": "InChI=1S/C10H16O3/c1-7(2)8-4-5-10(3,12)13-9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10?/m0/s1", "name": "(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone", "names": [ "(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone", "(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one" ] }, { "compound_id": "C19085", "inchi": null, "name": "tRNA with a 3' CCA end", "names": [ "tRNA with a 3' CCA end" ] }, { "compound_id": "C19086", "inchi": "InChI=1S/C10H14N2S/c1-8-5-4-6-9(7-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)", "name": "Methiuron", "names": [ "Methiuron" ] }, { "compound_id": "C19087", "inchi": "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)", "name": "Monuron", "names": [ "Monuron" ] }, { "compound_id": "C19088", "inchi": "InChI=1S/C9H11ClN2O.C2HCl3O2/c1-12(2)9(13)11-8-5-3-7(10)4-6-8;3-2(4,5)1(6)7/h3-6H,1-2H3,(H,11,13);(H,6,7)", "name": "Monuron-TCA", "names": [ "Monuron TCA", "Monuron-TCA" ] }, { "compound_id": "C19089", "inchi": "InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-7(4-6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)", "name": "Parafluron", "names": [ "Parafluron" ] }, { "compound_id": "C19090", "inchi": "InChI=1S/C16H14Cl2N2O2/c1-19(2)16(22)20(12-8-9-13(17)14(18)10-12)15(21)11-6-4-3-5-7-11/h3-10H,1-2H3", "name": "Phenobenzuron", "names": [ "Phenobenzuron" ] }, { "compound_id": "C19091", "inchi": "InChI=1S/C5HCl2F2NO/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)", "name": "Haloxydine", "names": [ "Haloxydine" ] }, { "compound_id": "C19092", "inchi": "InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)", "name": "Ethidimuron", "names": [ "Ethidimuron" ] }, { "compound_id": "C19093", "inchi": "InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)", "name": "Thiazafluron", "names": [ "Thiazafluron" ] }, { "compound_id": "C19094", "inchi": "InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-", "name": "Diallat", "names": [ "Di-allate", "Diallat" ] }, { "compound_id": "C19095", "inchi": "InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3", "name": "Ethiolate", "names": [ "Ethiolate" ] }, { "compound_id": "C19096", "inchi": "InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3", "name": "Sulfallate", "names": [ "Sulfallate" ] }, { "compound_id": "C19097", "inchi": "InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3", "name": "Vernolate", "names": [ "Vernolate" ] }, { "compound_id": "C19098", "inchi": "InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)", "name": "Atraton", "names": [ "Atraton" ] }, { "compound_id": "C19099", "inchi": "InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)", "name": "Aziprotryne", "names": [ "Aziprotryne" ] }, { "compound_id": "C19100", "inchi": "InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)", "name": "Desmetryn", "names": [ "Desmetryn" ] }, { "compound_id": "C19101", "inchi": "InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)", "name": "Dipropetryn", "names": [ "Dipropetryn" ] }, { "compound_id": "C19102", "inchi": "InChI=1S/C7H10ClN5O2/c1-2-9-6-11-5(8)12-7(13-6)10-3-4(14)15/h2-3H2,1H3,(H,14,15)(H2,9,10,11,12,13)", "name": "Eglinazine", "names": [ "Eglinazine" ] }, { "compound_id": "C19103", "inchi": "InChI=1S/C10H18ClN5/c1-5-16(6-2)10-14-8(11)13-9(15-10)12-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15)", "name": "Ipazine", "names": [ "Ipazine" ] }, { "compound_id": "C19104", "inchi": "InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)", "name": "Methoprotryne", "names": [ "Methoprotryne" ] }, { "compound_id": "C19105", "inchi": "InChI=1S/C8H12ClN5O2/c1-4(2)11-8-13-6(9)12-7(14-8)10-3-5(15)16/h4H,3H2,1-2H3,(H,15,16)(H2,10,11,12,13,14)", "name": "Proglinazine", "names": [ "Proglinazine" ] }, { "compound_id": "C19106", "inchi": "InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)", "name": "Secbumeton", "names": [ "Secbumeton" ] }, { "compound_id": "C19107", "inchi": "InChI=1S/C12H20N4OS/c1-8(2)7-13-16-10(17)9(12(3,4)5)14-15-11(16)18-6/h7-8H,1-6H3/b13-7+", "name": "Isomethiozin", "names": [ "Isomethiozin" ] }, { "compound_id": "C19108", "inchi": "InChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13)", "name": "Isocil", "names": [ "Isocil" ] }, { "compound_id": "C19109", "inchi": "InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)", "name": "Cycluron", "names": [ "Cycluron" ] }, { "compound_id": "C19110", "inchi": "InChI=1S/C13H22N2O/c1-15(2)13(16)14-11-6-5-10-8-3-4-9(7-8)12(10)11/h8-12H,3-7H2,1-2H3,(H,14,16)", "name": "Isonoruron", "names": [ "Isonoruron" ] }, { "compound_id": "C19111", "inchi": "InChI=1S/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)", "name": "Noruron", "names": [ "Noruron" ] }, { "compound_id": "C19112", "inchi": "InChI=1S/C10H16N4O2S/c1-10(2,3)7-11-12-8(17-7)14-6(15)5-13(4)9(14)16/h6,15H,5H2,1-4H3", "name": "Buthidazole", "names": [ "Buthidazole" ] }, { "compound_id": "C19113", "inchi": "InChI=1S/CN2.Ca/c2-1-3;/q-2;+2", "name": "Calcium carbimide", "names": [ "Calcium carbimide" ] }, { "compound_id": "C19114", "inchi": "InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)", "name": "Chlorfenac", "names": [ "Chlorfenac" ] }, { "compound_id": "C19115", "inchi": "InChI=1S/C10H10Cl2O2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3", "name": "Chlorfenprop-methyl", "names": [ "Chlorfenprop-methyl" ] }, { "compound_id": "C19116", "inchi": "InChI=1S/C11H10N2O/c1-9-5-2-3-6-10(9)14-11-7-4-8-12-13-11/h2-8H,1H3", "name": "Credazine", "names": [ "Credazine" ] }, { "compound_id": "C19117", "inchi": "InChI=1S/C10H7N3O/c11-6-7-14-13-10(8-12)9-4-2-1-3-5-9/h1-5H,7H2", "name": "Cyometrinil", "names": [ "Cyometrinil" ] }, { "compound_id": "C19118", "inchi": "InChI=1S/C4H6O2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3", "name": "Dimexano", "names": [ "Dimexano" ] }, { "compound_id": "C19119", "inchi": "InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3", "name": "Dinoseb acetate", "names": [ "Dinoseb acetate" ] }, { "compound_id": "C19120", "inchi": "InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3", "name": "Dixanthogen", "names": [ "Dixanthogen", "EXD" ] }, { "compound_id": "C19121", "inchi": "InChI=1S/C16H12ClNO4S/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)", "name": "Fenthiaprop", "names": [ "Fenthiaprop" ] }, { "compound_id": "C19122", "inchi": "InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9", "name": "Hexachloroacetone", "names": [ "Hexachloroacetone" ] }, { "compound_id": "C19123", "inchi": "InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3", "name": "Methazole", "names": [ "Methazole" ] }, { "compound_id": "C19124", "inchi": "InChI=1S/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3", "name": "Methoxyphenone", "names": [ "4-Methoxy-3,3'-dimethylbenzophenone", "Methoxyphenone" ] }, { "compound_id": "C19125", "inchi": "InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H", "name": "Naphthalic anhydride", "names": [ "1,8-Naphthalic anhydride", "Naphthalic anhydride" ] }, { "compound_id": "C19126", "inchi": "InChI=1S/C12H8BrN3O4/c13-9-8(15-10(17)12(19)20)6-14-16(11(9)18)7-4-2-1-3-5-7/h1-6H,(H,15,17)(H,19,20)", "name": "Oxapyrazon", "names": [ "Oxapyrazon" ] }, { "compound_id": "C19127", "inchi": "InChI=1S/C4H8OS2/c1-3(2)5-4(6)7/h3H,1-2H3,(H,6,7)", "name": "Proxan", "names": [ "Proxan" ] }, { "compound_id": "C19128", "inchi": "InChI=1S/C6H8N2O5/c9-3-1-6(13,2-4(10)11)5(12)8-7-3/h13H,1-2H2,(H,7,9)(H,8,12)(H,10,11)", "name": "Pydanon", "names": [ "Hexahydro-4-hydroxy-3,6-dioxopyridazine-4-acetic acid", "Pydanon" ] }, { "compound_id": "C19129", "inchi": "InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)", "name": "Terbucarb", "names": [ "Terbucarb" ] }, { "compound_id": "C19130", "inchi": "InChI=1S/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2", "name": "Tridiphane", "names": [ "Tridiphane" ] }, { "compound_id": "C19131", "inchi": "InChI=1S/C11H25ClO6Si/c1-13-5-8-16-19(11-4-12,17-9-6-14-2)18-10-7-15-3/h4-11H2,1-3H3", "name": "Etacelasil", "names": [ "Alsol", "Etacelasil" ] }, { "compound_id": "C19132", "inchi": "InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)", "name": "Glyphosine", "names": [ "Glyphosine" ] }, { "compound_id": "C19133", "inchi": "InChI=1S/C18H36N/c1-5-13-19(14-7-6-8-15-19)16-12-18(4)11-9-10-17(2)3/h5,17-18H,1,6-16H2,2-4H3/q+1", "name": "Piproctanyl", "names": [ "Piproctanyl" ] }, { "compound_id": "C19134", "inchi": "InChI=1S/C13H19NO/c1-5-8-15-14-11-9-10-6-7-13(11,4)12(10,2)3/h1,10H,6-9H2,2-4H3/b14-11+", "name": "Heptopargil", "names": [ "Heptopargil" ] }, { "compound_id": "C19135", "inchi": "InChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h9-12,14,19H,4-8H2,1-3H3/b13-9+", "name": "Triapenthenol", "names": [ "Triapenthenol" ] }, { "compound_id": "C19136", "inchi": "InChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)", "name": "ANTU", "names": [ "ANTU", "alpha-Naphthylthiourea" ] }, { "compound_id": "C19137", "inchi": "InChI=1S/C3H10N6S2/c4-2(10)8-6-1-7-9-3(5)11/h6-7H,1H2,(H3,4,8,10)(H3,5,9,11)", "name": "Bisthiosemi", "names": [ "Bisthiosemi" ] }, { "compound_id": "C19138", "inchi": "InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3", "name": "Crimidine", "names": [ "Crimidine" ] }, { "compound_id": "C19139", "inchi": "InChI=1S/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26-", "name": "Norbormide", "names": [ "Norbormide" ] }, { "compound_id": "C19140", "inchi": "InChI=1S/C14H13Cl2N2O2PS/c1-10(17)18-21(22,19-13-6-2-11(15)3-7-13)20-14-8-4-12(16)5-9-14/h2-9H,1H3,(H2,17,18,22)", "name": "Phosacetim", "names": [ "Phosacetim" ] }, { "compound_id": "C19141", "inchi": "InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3", "name": "Pindone", "names": [ "Pindone" ] }, { "compound_id": "C19142", "inchi": "InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3", "name": "Butopyronoxyl", "names": [ "Butopyronoxyl" ] }, { "compound_id": "C19143", "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3", "name": "Dibutyl succinate", "names": [ "Dibutyl succinate" ] }, { "compound_id": "C19144", "inchi": "InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2", "name": "Trifenmorph", "names": [ "4-Tritylmorpholine", "Trifenmorph" ] }, { "compound_id": "C19145", "inchi": "InChI=1S/C20H26O6/c1-4-6-23-19(21)17-12(3)8-13-9-15-16(26-11-25-15)10-14(13)18(17)20(22)24-7-5-2/h9-10,12,17-18H,4-8,11H2,1-3H3", "name": "Propyl isome", "names": [ "1,2,3,4-Tetrahydro-3-methyl-6,7-methylenebisoxynaphthalene-1,2-dicarboxylic acid dipropyl", "Propyl isome" ] }, { "compound_id": "C19146", "inchi": "InChI=1S/C15H22O6/c1-3-16-6-7-17-8-9-18-12(2)21-13-4-5-14-15(10-13)20-11-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3", "name": "Sesamex", "names": [ "Sesamex" ] }, { "compound_id": "C19147", "inchi": "InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3", "name": "Piperonyl sulfoxide", "names": [ "Piperonyl sulfoxide" ] }, { "compound_id": "C19148", "inchi": "InChI=1S/C14H13Cl2O2PS/c1-2-17-19(20,12-6-4-3-5-7-12)18-14-9-8-11(15)10-13(14)16/h3-10H,2H2,1H3", "name": "S-Seven", "names": [ "EPBP", "O-Ethyl O-2,4-dichlorophenyl thionobenzenephosphonate", "S-Seven" ] }, { "compound_id": "C19149", "inchi": "InChI=1S/C6H4Cl6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2", "name": "TCA-ethadyl", "names": [ "TCA-ethadyl" ] }, { "compound_id": "C19150", "inchi": "InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)", "name": "Diethyldithiocarbamic acid", "names": [ "Diethyldithiocarbamic acid" ] }, { "compound_id": "C19151", "inchi": "InChI=1S/C34H43N6O21P/c1-14(29(49)37-20(33(55)56)5-8-25(45)35-18(31(51)52)4-7-24(44)36-19(32(53)54)6-9-26(46)47)61-62(58,59)60-13-23(43)27(48)22(42)12-40-21-11-16(41)3-2-15(21)10-17-28(40)38-34(57)39-30(17)50/h2-3,10-11,14,18-20,22-23,27,41-43,48H,4-9,12-13H2,1H3,(H,35,45)(H,36,44)(H,37,49)(H,46,47)(H,51,52)(H,53,54)(H,55,56)(H,58,59)(H,39,50,57)/t14-,18-,19-,20-,22-,23+,27-/m0/s1", "name": "Coenzyme F420-3", "names": [ "Coenzyme F420-3" ] }, { "compound_id": "C19152", "inchi": "InChI=1S/C24H29N4O15P/c1-10(21(35)25-14(23(37)38)4-5-18(32)33)43-44(40,41)42-9-17(31)19(34)16(30)8-28-15-7-12(29)3-2-11(15)6-13-20(28)26-24(39)27-22(13)36/h2-3,6-7,10,14,16-17,19,29-31,34H,4-5,8-9H2,1H3,(H,25,35)(H,32,33)(H,37,38)(H,40,41)(H,27,36,39)/t10-,14-,16-,17+,19-/m0/s1", "name": "Coenzyme F420-1", "names": [ "Coenzyme F420-1" ] }, { "compound_id": "C19153", "inchi": "InChI=1S/C19H22N3O12P/c1-8(18(28)29)34-35(31,32)33-7-14(25)15(26)13(24)6-22-12-5-10(23)3-2-9(12)4-11-16(22)20-19(30)21-17(11)27/h2-5,8,13-15,23-26H,6-7H2,1H3,(H,28,29)(H,31,32)(H,21,27,30)/t8-,13-,14+,15-/m0/s1", "name": "Coenzyme F420-0", "names": [ "Coenzyme F420-0" ] }, { "compound_id": "C19154", "inchi": "InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1", "name": "7,8-Didemethyl-8-hydroxy-5-deazariboflavin", "names": [ "7,8-Didemethyl-8-hydroxy-5-deazariboflavin" ] }, { "compound_id": "C19155", "inchi": "InChI=1S/C13H19N5O13P2/c1-4(12(22)23)30-33(26,27)31-32(24,25)28-2-5-7(19)8(20)11(29-5)18-3-15-6-9(18)16-13(14)17-10(6)21/h3-5,7-8,11,19-20H,2H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H3,14,16,17,21)/t4-,5+,7+,8+,11+/m0/s1", "name": "(2S)-Lactyl-2-diphospho-5'-guanosine", "names": [ "(2S)-Lactyl-2-diphospho-5'-guanosine" ] }, { "compound_id": "C19156", "inchi": "InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1", "name": "(2S)-2-Phospholactate", "names": [ "(2S)-2-Phospholactate" ] }, { "compound_id": "C19157", "inchi": "InChI=1S/Th/i1+0", "name": "Thorium-232", "names": [ "Thorium-232" ] }, { "compound_id": "C19158", "inchi": "InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2", "name": "Bis(chloromethyl) ether", "names": [ "BCME", "Bis(chloromethyl) ether" ] }, { "compound_id": "C19159", "inchi": "InChI=1S/Pu", "name": "Plutonium", "names": [ "Plutonium" ] }, { "compound_id": "C19160", "inchi": "InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3", "name": "Chloromethyl methyl ether", "names": [ "Chloromethyl methyl ether" ] }, { "compound_id": "C19161", "inchi": "InChI=1S/Cr/q+6", "name": "Chromium (VI)", "names": [ "Chromium (VI)", "Chromium hexavalent ion", "Chromium ion (6+)" ] }, { "compound_id": "C19162", "inchi": "InChI=1/P/i1+1", "name": "Phosphorus-32", "names": [ "Phosphorus-32" ] }, { "compound_id": "C19163", "inchi": null, "name": "Erionite", "names": [ "Erionite" ] }, { "compound_id": "C19164", "inchi": "InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2", "name": "Sulfur mustard", "names": [ "Iprit", "Mustard gas", "Sulfur mustard" ] }, { "compound_id": "C19165", "inchi": "InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H", "name": "Benzal chloride", "names": [ "Benzal chloride" ] }, { "compound_id": "C19166", "inchi": "InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H", "name": "Benzotrichloride", "names": [ "Benzotrichloride" ] }, { "compound_id": "C19167", "inchi": "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2", "name": "Benzyl chloride", "names": [ "Benzyl chloride" ] }, { "compound_id": "C19168", "inchi": "InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H", "name": "Benzoyl chloride", "names": [ "Benzoyl chloride" ] }, { "compound_id": "C19169", "inchi": "InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3", "name": "4-Chloro-ortho-toluidine", "names": [ "2-Amino-5-chlorotoluene", "4-Chloro-o-toluidine", "4-Chloro-ortho-toluidine" ] }, { "compound_id": "C19170", "inchi": "InChI=1S/C9H16ClN3O7/c10-1-2-13(12-20)9(19)11-5(3-14)7(17)8(18)6(16)4-15/h3,5-8,15-18H,1-2,4H2,(H,11,19)/t5-,6+,7+,8+/m0/s1", "name": "Chlorozotocin", "names": [ "Chlorozotocin" ] }, { "compound_id": "C19171", "inchi": "InChI=1S/Co", "name": "Cobalt", "names": [ "Cobalt" ] }, { "compound_id": "C19172", "inchi": null, "name": "Coal tar creosote", "names": [ "Coal tar creosote" ] }, { "compound_id": "C19173", "inchi": "InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H", "name": "Cyclopenta[cd]pyrene", "names": [ "Cyclopenta[cd]pyrene" ] }, { "compound_id": "C19174", "inchi": "InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H", "name": "Dibenzo[a,l]pyrene", "names": [ "1,2,9,10-Dibenzopyrene", "Dibenzo[a,l]pyrene", "Dibenzo[def,p]chrysene" ] }, { "compound_id": "C19175", "inchi": "InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3", "name": "Dimethylcarbamoyl chloride", "names": [ "Dimethylcarbamoyl chloride" ] }, { "compound_id": "C19176", "inchi": "InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3", "name": "1,2-Dimethylhydrazine", "names": [ "1,2-Dimethylhydrazine" ] }, { "compound_id": "C19177", "inchi": "InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3", "name": "Dimethyl sulfate", "names": [ "Dimethyl sulfate" ] }, { "compound_id": "C19178", "inchi": "InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)", "name": "N-Nitroso-N-ethylurea", "names": [ "N-Nitroso-N-ethylurea" ] }, { "compound_id": "C19179", "inchi": null, "name": "Indium phosphide", "names": [ "Indium phosphide" ] }, { "compound_id": "C19180", "inchi": "InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)", "name": "2-Amino-3-methylimidazo[4,5-f]quinoline", "names": [ "2-Amino-3-methylimidazo[4,5-f]quinoline", "IQ" ] }, { "compound_id": "C19181", "inchi": "InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3", "name": "Methyl methanesulfonate", "names": [ "MMS", "Methyl methanesulfonate" ] }, { "compound_id": "C19182", "inchi": "InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2", "name": "Tris(2,3-dibromopropyl) phosphate", "names": [ "Tris(2,3-dibromopropyl) phosphate" ] }, { "compound_id": "C19183", "inchi": null, "name": "Tungsten carbide", "names": [ "Tungsten carbide", "WC" ] }, { "compound_id": "C19184", "inchi": "InChI=1S/C2H3Br/c1-2-3/h2H,1H2", "name": "Vinyl bromide", "names": [ "Vinyl bromide" ] }, { "compound_id": "C19185", "inchi": "InChI=1S/C2H3F/c1-2-3/h2H,1H2", "name": "Vinyl fluoride", "names": [ "Vinyl fluoride" ] }, { "compound_id": "C19186", "inchi": "InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)", "name": "2-Amino-9H-pyrido[2,3-b]indole", "names": [ "2-Amino-9H-pyrido[2,3-b]indole", "2-Amino-alpha-carboline", "A-alpha-C" ] }, { "compound_id": "C19187", "inchi": "InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+", "name": "para-Aminoazobenzene", "names": [ "4-Aminoazobenzene", "Aniline yellow", "para-Aminoazobenzene" ] }, { "compound_id": "C19188", "inchi": "InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3/b17-16+", "name": "ortho-Aminoazotoluene", "names": [ "C.I. Solvent Yellow 3", "ortho-Aminoazotoluene" ] }, { "compound_id": "C19189", "inchi": "InChI=1S/C6H4N4O3S/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9)", "name": "2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole", "names": [ "2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole", "Triafur" ] }, { "compound_id": "C19190", "inchi": "InChI=1S/C56H106O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(57)65-43-45-49(59)51(61)53(63)55(67-45)69-56-54(64)52(62)50(60)46(68-56)44-66-48(58)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-56,59-64H,3-44H2,1-2H3/t45-,46-,49-,50-,51+,52+,53-,54-,55-,56-/m1/s1", "name": "Trehalose-6,6'-dibehenate", "names": [ "Trehalose-6,6'-dibehenate" ] }, { "compound_id": "C19191", "inchi": "InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3", "name": "ortho-Anisidine", "names": [ "o-Anisidine", "ortho-Anisidine" ] }, { "compound_id": "C19192", "inchi": null, "name": "Antimony trioxide", "names": [ "Antimony trioxide" ] }, { "compound_id": "C19193", "inchi": "InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3", "name": "Auramine", "names": [ "Auramine" ] }, { "compound_id": "C19194", "inchi": "InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1", "name": "Azaserine", "names": [ "Azaserine" ] }, { "compound_id": "C19195", "inchi": "InChI=1S/C20H12/c1-2-7-16-13(4-1)8-10-17-18-11-9-14-5-3-6-15(20(14)18)12-19(16)17/h1-12H", "name": "Benz[j]aceanthrylene", "names": [ "Benz[j]aceanthrylene" ] }, { "compound_id": "C19196", "inchi": "InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H", "name": "Benzo[j]fluoranthene", "names": [ "Benzo[j]fluoranthene" ] }, { "compound_id": "C19197", "inchi": "InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H", "name": "Benzo[c]phenanthrene", "names": [ "3,4-Benzphenanthrene", "Benzo[c]phenanthrene" ] }, { "compound_id": "C19198", "inchi": "InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-10-24-37(25-11-29)49(43,44)45)35-20-14-32(15-21-35)39(31-12-18-34(19-13-31)40(3)4)33-16-22-36(23-17-33)42(6-2)28-30-8-7-9-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1", "name": "Benzyl violet 4B", "names": [ "Benzyl Violet", "Benzyl violet 4B" ] }, { "compound_id": "C19199", "inchi": "InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2", "name": "2,2-Bis(bromomethyl)propane-1,3-diol", "names": [ "2,2-Bis(bromomethyl)propane-1,3-diol", "Pentaerythritol dibromide" ] }, { "compound_id": "C19200", "inchi": null, "name": "Bitumens", "names": [ "Asphalt", "Bitumens" ] }, { "compound_id": "C19201", "inchi": "InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3", "name": "beta-Butyrolactone", "names": [ "beta-Butyrolactone" ] }, { "compound_id": "C19202", "inchi": null, "name": "Carbon black", "names": [ "Carbon black" ] }, { "compound_id": "C19203", "inchi": null, "name": "Poligeenan", "names": [ "Carrageenan, degraded", "Poligeenan" ] }, { "compound_id": "C19204", "inchi": "InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)", "name": "Chlorendic acid", "names": [ "1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid", "Chlorendic acid" ] }, { "compound_id": "C19205", "inchi": "InChI=1S/C5H3Cl3O3/c6-2-1(3(7)8)4(9)11-5(2)10/h3-4,9H", "name": "3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone", "names": [ "3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone" ] }, { "compound_id": "C19206", "inchi": "InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3", "name": "1-Chloro-2-methylpropene", "names": [ "1-Chloro-2-methyl-1-propene", "1-Chloro-2-methylpropene" ] }, { "compound_id": "C19207", "inchi": "InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2", "name": "4-Chloro-ortho-phenylenediamine", "names": [ "4-Chloro-1,2-benzenediamine", "4-Chloro-ortho-phenylenediamine" ] }, { "compound_id": "C19208", "inchi": "InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2", "name": "Chloroprene", "names": [ "2-Chloro-1,3-butadiene", "Chloroprene" ] }, { "compound_id": "C19209", "inchi": "InChI=1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-40-;;", "name": "CI Acid red 114", "names": [ "CI Acid red 114" ] }, { "compound_id": "C19210", "inchi": "InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H", "name": "CI Basic red 9", "names": [ "CI Basic red 9" ] }, { "compound_id": "C19211", "inchi": "InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2", "name": "1-Amino-2,4-dibromoanthraquinone", "names": [ "1-Amino-2,4-dibromoanthraquinone" ] }, { "compound_id": "C19212", "inchi": "InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)", "name": "Bromochloroacetic acid", "names": [ "Bromochloroacetic acid" ] }, { "compound_id": "C19213", "inchi": "InChI=1/C34H28N6O16S4.4Na/c1-55-25-6-4-15(9-24(25)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42)16-3-5-23(26(10-16)56-2)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/b39-37+,40-38+;;;;/f/h43,46,49,52H;;;;", "name": "C.I. Direct blue 15", "names": [ "C.I. Direct blue 15" ] }, { "compound_id": "C19214", "inchi": "InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3/b20-19+", "name": "Citrus Red No.2", "names": [ "Citrus Red 2", "Citrus Red No.2" ] }, { "compound_id": "C19215", "inchi": "InChI=1S/Co.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2", "name": "Cobalt sulfate", "names": [ "Cobalt sulfate", "Cobalt(II) sulfate" ] }, { "compound_id": "C19216", "inchi": "InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3", "name": "para-Cresidine", "names": [ "p-Cresidine", "para-Cresidine" ] }, { "compound_id": "C19217", "inchi": "InChI=1S/C16H16N2O2/c1-11(19)17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)", "name": "N,N'-Diacetylbenzidine", "names": [ "4,4'-Diacetylbenzidine", "N,N'-Diacetylbenzidine" ] }, { "compound_id": "C19218", "inchi": "InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3", "name": "2,4-Diaminoanisole", "names": [ "2,4-Diaminoanisole" ] }, { "compound_id": "C19219", "inchi": "InChI=1S/C21H13N/c1-3-7-17-14(5-1)11-12-20-19(17)13-16-10-9-15-6-2-4-8-18(15)21(16)22-20/h1-13H", "name": "Dibenz[a,h]acridine", "names": [ "Dibenz[a,h]acridine" ] }, { "compound_id": "C19220", "inchi": "InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H", "name": "Dibenz[a,j]acridine", "names": [ "Dibenz[a,j]acridine" ] }, { "compound_id": "C19221", "inchi": "InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H", "name": "7H-Dibenzo[c,g]carbazole", "names": [ "7H-Dibenzo[c,g]carbazole" ] }, { "compound_id": "C19222", "inchi": "InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H", "name": "Dibenzo[a,h]pyrene", "names": [ "3,4:8,9-Dibenzopyrene", "Dibenzo[a,h]pyrene" ] }, { "compound_id": "C19223", "inchi": "InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H", "name": "Dibenzo[a,i]pyrene", "names": [ "Dibenzo[a,i]pyrene" ] }, { "compound_id": "C19224", "inchi": "InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2", "name": "2,3-Dibromo-1-propanol", "names": [ "2,3-Dibromo-1-propanol", "2,3-Dibromopropanol" ] }, { "compound_id": "C19225", "inchi": "InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2", "name": "3,3'-Dichlorobenzidine", "names": [ "3,3'-Dichlorobenzidine" ] }, { "compound_id": "C19226", "inchi": "InChI=1S/C12H10Cl2N2O/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6H,15-16H2", "name": "3,3'-Dichloro-4,4'-diaminodiphenyl ether", "names": [ "3,3'-Dichloro-4,4'-diaminodiphenyl ether" ] }, { "compound_id": "C19227", "inchi": "InChI=1S/C4H12N2/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3", "name": "1,2-Diethylhydrazine", "names": [ "1,2-Diethylhydrazine" ] }, { "compound_id": "C19228", "inchi": "InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2", "name": "Diglycidyl resorcinol ether", "names": [ "Diglycidyl resorcinol ether" ] }, { "compound_id": "C19229", "inchi": "InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3", "name": "Dihydrosafrole", "names": [ "1,2-(Methylenedioxy)-4-propylbenzene", "Dihydrosafrole" ] }, { "compound_id": "C19230", "inchi": "InChI=1S/C6H14O4S/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3", "name": "Diisopropyl sulfate", "names": [ "Diisopropyl sulfate" ] }, { "compound_id": "C19231", "inchi": "InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3", "name": "3,3'-Dimethoxybenzidine", "names": [ "3,3'-Dimethoxybenzidine", "ortho-Dianisidine" ] }, { "compound_id": "C19232", "inchi": "InChI=1S/C11H11N5O4/c1-15(2)7-12-11-14-13-9(20-11)5-3-8-4-6-10(19-8)16(17)18/h3-7H,1-2H3/b5-3+,12-7+", "name": "trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2- furyl)-vinyl]-1,3,4-oxadiazole", "names": [ "N,N-dimethyl-N'-(5-(2-(5-nitro-2-furyl)vinyl)-1,3,4-oxadiazol-2-yl)-Formamidine", "trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2- furyl)-vinyl]-1,3,4-oxadiazole" ] }, { "compound_id": "C19233", "inchi": "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3", "name": "1,1-Dimethylhydrazine", "names": [ "1,1-Dimethylhydrazine" ] }, { "compound_id": "C19234", "inchi": "InChI=1S/C16H8N2O4/c19-17(20)13-8-7-10-9-3-2-6-14(18(21)22)16(9)12-5-1-4-11(13)15(10)12/h1-8H", "name": "3,7-Dinitrofluoranthene", "names": [ "3,7-Dinitrofluoranthene" ] }, { "compound_id": "C19235", "inchi": "InChI=1S/C16H8N2O4/c19-17(20)9-4-5-10-11-2-1-3-13-15(18(21)22)7-6-12(16(11)13)14(10)8-9/h1-8H", "name": "3,9-Dinitrofluoranthene", "names": [ "3,9-Dinitrofluoranthene" ] }, { "compound_id": "C19236", "inchi": "InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2", "name": "Disperse Blue 1", "names": [ "1,4,5,8-Tetraamino-9,10-anthracenedione", "Disperse Blue 1" ] }, { "compound_id": "C19237", "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3", "name": "1,2-Epoxybutane", "names": [ "1,2-Epoxybutane", "1-Butene oxide" ] }, { "compound_id": "C19238", "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3", "name": "Ethyl acrylate", "names": [ "Ethyl acrylate" ] }, { "compound_id": "C19239", "inchi": "InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3", "name": "Ethyl methanesulfonate", "names": [ "Ethyl methanesulfonate" ] }, { "compound_id": "C19240", "inchi": "InChI=1S/C8H6N4O4S/c13-4-9-11-8-10-5(3-17-8)6-1-2-7(16-6)12(14)15/h1-4H,(H,9,13)(H,10,11)", "name": "Nifurthiazole", "names": [ "2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole", "Nifurthiazole" ] }, { "compound_id": "C19241", "inchi": "InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22-,23-,24+,25+,26-,27-,32+/m0/s1", "name": "Fumonisin B1", "names": [ "Fumonisin B1" ] }, { "compound_id": "C19242", "inchi": "InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1", "name": "Fumonisin B2", "names": [ "Fumonisin B2" ] }, { "compound_id": "C19243", "inchi": "InChI=1S/C23H29NO7/c1-6-17(19(27)30-5)13-15(3)12-14(2)8-7-9-16(4)18(26)23-20(31-23)22(29,10-11-25)24-21(23)28/h6-9,12-13,20,25,29H,10-11H2,1-5H3,(H,24,28)/b8-7+,14-12+,15-13+,16-9+,17-6+/t20-,22-,23-/m0/s1", "name": "Fusarin C", "names": [ "Fusarin C" ] }, { "compound_id": "C19244", "inchi": "InChI=1S/C11H10N4/c1-7-3-2-6-15-10(7)13-8-4-5-9(12)14-11(8)15/h2-6H,1H3,(H2,12,14)", "name": "Glu-P-1", "names": [ "2-Amino-6-methyldipyrid[1,2-a:3',2'-d]imidazole", "Glu-P-1" ] }, { "compound_id": "C19245", "inchi": "InChI=1S/C10H8N4/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7/h1-6H,(H2,11,13)", "name": "Glu-P-2", "names": [ "2-Aminodipyrido[1,2-a:3',2'-d]imidazole", "Glu-P-2" ] }, { "compound_id": "C19246", "inchi": "InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2", "name": "Glycidaldehyde", "names": [ "2-Oxiranecarboxaldehyde", "Glycidaldehyde" ] }, { "compound_id": "C19247", "inchi": "InChI=1S/C11H17N3O4/c1-12-10-3-2-9(8-11(10)14(17)18)13(4-6-15)5-7-16/h2-3,8,12,15-16H,4-7H2,1H3", "name": "HC Blue No.1", "names": [ "2,2'-[[4-(methylamino)-3-nitrophenyl]imino]bis-Ethanol", "HC Blue No.1" ] }, { "compound_id": "C19248", "inchi": "InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8", "name": "Hexachloroethane", "names": [ "Hexachloroethane" ] }, { "compound_id": "C19249", "inchi": "InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+", "name": "2,4-Hexadienal", "names": [ "(E,E)-2,4-Hexadienal", "2,4-Hexadienal" ] }, { "compound_id": "C19250", "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3", "name": "Hexamethylphosphoramide", "names": [ "HMPA", "Hexamethylphosphoramide" ] }, { "compound_id": "C19251", "inchi": "InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H", "name": "Indeno[1,2,3-cd]pyrene", "names": [ "Indeno[1,2,3-cd]pyrene" ] }, { "compound_id": "C19252", "inchi": "InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H/b20-14-,21-17?;", "name": "Magenta", "names": [ "Fuchsin", "Magenta", "Rosaniline hydrochloride" ] }, { "compound_id": "C19253", "inchi": "InChI=1S/C12H11N3/c1-7-6-9-8-4-2-3-5-10(8)14-12(9)15-11(7)13/h2-6H,1H3,(H3,13,14,15)", "name": "2-Amino-3-methyl-9H-pyrido[2,3-b]indole", "names": [ "2-Amino-3-methyl-9H-pyrido[2,3-b]indole", "MeA-alpha-C" ] }, { "compound_id": "C19254", "inchi": "InChI=1S/C12H12N4/c1-7-6-9-8(4-3-5-14-9)10-11(7)16(2)12(13)15-10/h3-6H,1-2H3,(H2,13,15)", "name": "MeIQ", "names": [ "2-Amino-3,4-dimethylimidazo[4,5-f]quinoline", "MeIQ" ] }, { "compound_id": "C19255", "inchi": "InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)", "name": "MeIQx", "names": [ "2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline", "8-Methyl-IQX", "MeIQx" ] }, { "compound_id": "C19256", "inchi": "InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)", "name": "Merphalan", "names": [ "Merphalan", "Sarcolysin" ] }, { "compound_id": "C19257", "inchi": "InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3", "name": "2-Methylaziridine", "names": [ "2-Methylaziridine", "Propyleneimine" ] }, { "compound_id": "C19258", "inchi": "InChI=1S/C4H8N2O3/c1-4(7)9-3-5-6(2)8/h3H2,1-2H3/b6-5-", "name": "Methylazoxymethanol acetate", "names": [ "Methylazoxymethanol acetate" ] }, { "compound_id": "C19259", "inchi": "InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3", "name": "5-Methylchrysene", "names": [ "5-Methylchrysene" ] }, { "compound_id": "C19260", "inchi": "InChI=1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3", "name": "4,4'-Methylene bis(2-methylaniline)", "names": [ "4,4'-Methylene bis(2-methylaniline)" ] }, { "compound_id": "C19261", "inchi": "InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)", "name": "2-Methylimidazole", "names": [ "2-Methylimidazole" ] }, { "compound_id": "C19262", "inchi": "InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)", "name": "4-Methylimidazole", "names": [ "4-Methylimidazole" ] }, { "compound_id": "C19263", "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3", "name": "Methyl isobutyl ketone", "names": [ "Methyl isobutyl ketone" ] }, { "compound_id": "C19264", "inchi": "InChI=1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3", "name": "2-Methyl-1-nitroanthraquinone", "names": [ "2-Methyl-1-nitroanthraquinone" ] }, { "compound_id": "C19265", "inchi": "InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)", "name": "Methylthiouracil", "names": [ "Methylthiouracil" ] }, { "compound_id": "C19266", "inchi": "InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3", "name": "4,4'-Bis(dimethylamino)benzophenone", "names": [ "4,4'-Bis(dimethylamino)benzophenone", "Michler's ketone" ] }, { "compound_id": "C19267", "inchi": "InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+/t11-/m0/s1", "name": "Levofuraltadone", "names": [ "5-(Morpholinomethyl)-3-[(5-nitrofurfurylidene)amino]-2- oxazolidinone", "Levofuraltadone" ] }, { "compound_id": "C19268", "inchi": "InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)", "name": "Niridazole", "names": [ "Niridazole" ] }, { "compound_id": "C19269", "inchi": "InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2", "name": "5-Nitroacenaphthene", "names": [ "5-Nitroacenaphthene" ] }, { "compound_id": "C19270", "inchi": "InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3", "name": "2-Nitroanisole", "names": [ "2-Nitroanisole", "o-Nitroanisole" ] }, { "compound_id": "C19271", "inchi": "InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H", "name": "6-Nitrochrysene", "names": [ "6-Nitrochrysene" ] }, { "compound_id": "C19272", "inchi": "InChI=1S/C8H8N4O4/c13-8-9-3-4-11(8)10-5-6-1-2-7(16-6)12(14)15/h1-2,5H,3-4H2,(H,9,13)/b10-5+", "name": "Nifuradene", "names": [ "1-[(5-Nitrofurfurylidene)amino]-2-imidazolidinone", "Nifuradene" ] }, { "compound_id": "C19273", "inchi": "InChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13)", "name": "N-[4-(5-Nitro-2-furyl)-2-thiazolyl]acetamide", "names": [ "Furothiazole", "N-[4-(5-Nitro-2-furyl)-2-thiazolyl]acetamide" ] }, { "compound_id": "C19274", "inchi": "InChI=1S/C5H11Cl2NO/c1-8(9,4-2-6)5-3-7/h2-5H2,1H3", "name": "Nitrogen mustard N-oxide", "names": [ "Nitrogen mustard N-oxide" ] }, { "compound_id": "C19275", "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3", "name": "Nitromethane", "names": [ "Nitromethane" ] }, { "compound_id": "C19276", "inchi": "InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H", "name": "4-Nitropyrene", "names": [ "4-Nitropyrene" ] }, { "compound_id": "C19277", "inchi": "InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3", "name": "N-Nitrosodi-n-butylamine", "names": [ "N,N-Dibutylnitrosoamine", "N-Nitrosodi-n-butylamine" ] }, { "compound_id": "C19278", "inchi": "InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2", "name": "N-Nitrosodiethanolamine", "names": [ "N-Nitrosodiethanolamine" ] }, { "compound_id": "C19279", "inchi": "InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3", "name": "N-Nitrosodi-n-propylamine", "names": [ "N-Nitrosodi-n-propylamine" ] }, { "compound_id": "C19280", "inchi": "InChI=1S/C4H7N3O/c1-7(6-8)4-2-3-5/h2,4H2,1H3", "name": "3-(N-Nitrosomethylamino)propionitrile", "names": [ "3-(Methylnitrosamino)propionitrile", "3-(N-Nitrosomethylamino)propionitrile" ] }, { "compound_id": "C19281", "inchi": "InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3", "name": "N-Nitrosomethylethylamine", "names": [ "N-Nitrosomethylethylamine" ] }, { "compound_id": "C19282", "inchi": "InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3", "name": "N-Nitrosomethylvinylamine", "names": [ "N-Nitrosomethylvinylamine" ] }, { "compound_id": "C19283", "inchi": "InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2", "name": "N-Nitrosomorpholine", "names": [ "N-Nitrosomorpholine" ] }, { "compound_id": "C19284", "inchi": "InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2", "name": "N-Nitrosopiperidine", "names": [ "N-Nitrosopiperidine" ] }, { "compound_id": "C19285", "inchi": "InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2", "name": "N-Nitrosopyrrolidine", "names": [ "N-Nitrosopyrrolidine" ] }, { "compound_id": "C19286", "inchi": "InChI=1S/C3H6N2O3/c1-5(4-8)2-3(6)7/h2H2,1H3,(H,6,7)", "name": "N-Nitrososarcosine", "names": [ "N-Nitrososarcosine" ] }, { "compound_id": "C19287", "inchi": "InChI=1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,20H,1H3/b19-18+", "name": "Oil Orange SS", "names": [ "Oil Orange SS" ] }, { "compound_id": "C19288", "inchi": null, "name": "Palygorskite", "names": [ "Attapulgite", "Palygorskite" ] }, { "compound_id": "C19289", "inchi": "InChI=1S/C11H11N5O5/c17-6-15(7-18)11-12-5-8(13-14-11)1-2-9-3-4-10(21-9)16(19)20/h1-5,17-18H,6-7H2/b2-1+", "name": "Panfuran S", "names": [ "Dihydroxymethylfuratrizine", "Panfuran S" ] }, { "compound_id": "C19290", "inchi": "InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H/b16-15+;", "name": "Phenazopyridine hydrochloride", "names": [ "Phenazopyridine hydrochloride" ] }, { "compound_id": "C19291", "inchi": "InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2", "name": "Phenyl glycidyl ether", "names": [ "Phenyl glycidyl ether" ] }, { "compound_id": "C19292", "inchi": null, "name": "Talc", "names": [ "Talc" ] }, { "compound_id": "C19293", "inchi": "InChI=1/C19H18N2O7S2.2Na/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28;;/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28);;/q;;+1/p-2/b21-20+;;/fC19H16N2O7S2.2Na/q-2;;m", "name": "Ponceau 3R", "names": [ "Ponceau 3R" ] }, { "compound_id": "C19294", "inchi": "InChI=1/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;;+1/p-2/b20-19+;;/fC18H14N2O7S2.2Na/q-2;;m", "name": "Ponceau MX", "names": [ "Ponceau MX" ] }, { "compound_id": "C19295", "inchi": "InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1", "name": "Potassium bromate", "names": [ "Potassium bromate" ] }, { "compound_id": "C19296", "inchi": "InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2", "name": "1,3-Propane sultone", "names": [ "1,3-Propane sultone" ] }, { "compound_id": "C19297", "inchi": "InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2", "name": "Propiolactone", "names": [ "Propiolactone", "beta-Propiolactone" ] }, { "compound_id": "C19298", "inchi": "InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1", "name": "Sodium ortho-phenylphenate", "names": [ "Sodium ortho-phenylphenate" ] }, { "compound_id": "C19299", "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6", "name": "Tetrafluoroethylene", "names": [ "Tetrafluoroethylene" ] }, { "compound_id": "C19300", "inchi": "InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13", "name": "Tetranitromethane", "names": [ "Tetranitromethane" ] }, { "compound_id": "C19301", "inchi": "InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3", "name": "N-Nitroso-N-methylurethane", "names": [ "N-Nitroso-N-methylurethane" ] }, { "compound_id": "C19302", "inchi": "InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)", "name": "Thioacetamide", "names": [ "Thioacetamide" ] }, { "compound_id": "C19303", "inchi": "InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2", "name": "4,4'-Thiodianiline", "names": [ "4,4'-Thiobisbenzenamine", "4,4'-Thiodianiline" ] }, { "compound_id": "C19304", "inchi": "InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)", "name": "Thiouracil", "names": [ "4-Hydroxy-2-pyrimidinethiol", "Thiouracil" ] }, { "compound_id": "C19305", "inchi": "InChI=1S/C6H12Cl3N.ClH/c7-1-4-10(5-2-8)6-3-9;/h1-6H2;1H", "name": "Trichlormethine", "names": [ "2,2',2''-Trichlorotriethylamine hydrochloride", "Trichlormethine" ] }, { "compound_id": "C19306", "inchi": "InChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15)", "name": "Trp-P-1", "names": [ "3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole", "Trp-P-1" ] }, { "compound_id": "C19307", "inchi": "InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;", "name": "Trypan Blue", "names": [ "Trypan Blue" ] }, { "compound_id": "C19308", "inchi": null, "name": "Vanadium pentoxide", "names": [ "Vanadium pentoxide" ] }, { "compound_id": "C19309", "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3", "name": "Vinyl acetate", "names": [ "Vinyl acetate" ] }, { "compound_id": "C19310", "inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2", "name": "4-Vinylcyclohexene", "names": [ "4-Vinyl-1-cyclohexene", "4-Vinylcyclohexene" ] }, { "compound_id": "C19311", "inchi": "InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2", "name": "4-Vinylcyclohexene diepoxide", "names": [ "4-Vinylcyclohexene diepoxide" ] }, { "compound_id": "C19312", "inchi": "InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2", "name": "Acenaphthene", "names": [ "Acenaphthene" ] }, { "compound_id": "C19313", "inchi": null, "name": "HTLV-1 basic zipper factor", "names": [ "HBZ", "HTLV-1 basic zipper factor" ] }, { "compound_id": "C19314", "inchi": "InChI=1S/C18H12/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-7,10H,8-9H2", "name": "Acepyrene", "names": [ "3,4-Dihydrocyclopenta[cd]pyrene", "Acepyrene" ] }, { "compound_id": "C19315", "inchi": "InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3", "name": "Acridine orange", "names": [ "3,6-Bis(dimethylamino)acridine", "Acridine orange" ] }, { "compound_id": "C19316", "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2", "name": "Allyl chloride", "names": [ "Allyl chloride" ] }, { "compound_id": "C19317", "inchi": "InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2", "name": "Allyl isothiocyanate", "names": [ "Allyl isothiocyanate" ] }, { "compound_id": "C19318", "inchi": "InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3", "name": "Allyl isovalerate", "names": [ "Allyl isovalerate" ] }, { "compound_id": "C19319", "inchi": "InChI=1S/C12H11N/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5,13H2", "name": "5-Aminoacenaphthene", "names": [ "5-Acenaphthenamine", "5-Aminoacenaphthene" ] }, { "compound_id": "C19320", "inchi": "InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3", "name": "1-Amino-2-methylanthraquinone", "names": [ "1-Amino-2-methylanthraquinone" ] }, { "compound_id": "C19321", "inchi": "InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2", "name": "2-Amino-4-nitrophenol", "names": [ "2-Amino-4-nitrophenol" ] }, { "compound_id": "C19322", "inchi": "InChI=1S/C6H6N2O3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H,7H2", "name": "2-Amino-5-nitrophenol", "names": [ "2-Amino-5-nitrophenol" ] }, { "compound_id": "C19323", "inchi": "InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2", "name": "4-Amino-2-nitrophenol", "names": [ "4-Amino-2-nitrophenol" ] }, { "compound_id": "C19324", "inchi": "InChI=1S/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5)", "name": "2-Amino-5-nitrothiazole", "names": [ "2-Amino-5-nitrothiazole", "Aminonitrothiazole" ] }, { "compound_id": "C19325", "inchi": "InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)", "name": "11-Aminoundecanoic acid", "names": [ "11-Aminoundecanoic acid" ] }, { "compound_id": "C19326", "inchi": "InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3", "name": "para-Anisidine", "names": [ "1-Amino-4-methoxybenzene", "para-Anisidine" ] }, { "compound_id": "C19327", "inchi": "InChI=1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H", "name": "Anthanthrene", "names": [ "Anthanthrene", "Dibenzo[cd,jk]pyrene" ] }, { "compound_id": "C19328", "inchi": null, "name": "Antimony trisulfide", "names": [ "Antimony trisulfide" ] }, { "compound_id": "C19329", "inchi": "InChI=1S/C12H24N9P3/c1-2-16(1)22(17-3-4-17)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h1-12H2", "name": "Apholate", "names": [ "Apholate" ] }, { "compound_id": "C19330", "inchi": null, "name": "para-Aramid fibrils", "names": [ "Kevlar 49", "para-Aramid fibrils" ] }, { "compound_id": "C19331", "inchi": "InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3", "name": "Arsenobetaine", "names": [ "Arsenobetaine" ] }, { "compound_id": "C19332", "inchi": "InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2", "name": "2-(1-Aziridinyl)ethanol", "names": [ "1-Aziridineethanol", "2-(1-Aziridinyl)ethanol" ] }, { "compound_id": "C19333", "inchi": "InChI=1S/C16H22N2O6/c1-21-7-9-23-15-11(17-3-4-17)14(20)16(24-10-8-22-2)12(13(15)19)18-5-6-18/h3-10H2,1-2H3", "name": "Aziridyl benzoquinone", "names": [ "Aziridyl benzoquinone", "Benzoquinone aziridine" ] }, { "compound_id": "C19334", "inchi": "InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H/b14-13+", "name": "Azobenzene", "names": [ "Azobenzene" ] }, { "compound_id": "C19335", "inchi": "InChI=1S/C19H12/c1-2-7-16-13(4-1)10-15-9-8-12-5-3-6-14-11-17(16)19(15)18(12)14/h1-10H,11H2", "name": "11H-Benz[bc]aceanthrylene", "names": [ "11H-Benz[bc]aceanthrylene" ] }, { "compound_id": "C19336", "inchi": "InChI=1S/C20H12/c1-2-7-17-13(4-1)8-9-16-12-15-6-3-5-14-10-11-18(19(14)15)20(16)17/h1-12H", "name": "Benz[l]aceanthrylene", "names": [ "Benz[l]aceanthrylene" ] }, { "compound_id": "C19337", "inchi": "InChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H", "name": "Benz[a]acridine", "names": [ "Benz[a]acridine" ] }, { "compound_id": "C19338", "inchi": "InChI=1S/C17H11N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)18-17(14)15/h1-11H", "name": "Benz[c]acridine", "names": [ "12-Azabenz[a]anthracene", "Benz[c]acridine" ] }, { "compound_id": "C19339", "inchi": "InChI=1S/C22H14/c1-2-7-17-14-22-18(13-16(17)6-1)10-12-20-19-8-4-3-5-15(19)9-11-21(20)22/h1-14H", "name": "Benzo[b]chrysene", "names": [ "1,2:6,7-Dibenzophenanthrene", "Benzo[b]chrysene" ] }, { "compound_id": "C19340", "inchi": "InChI=1S/C22H14/c1-2-8-16-15(7-1)13-14-21-19-11-4-3-9-17(19)18-10-5-6-12-20(18)22(16)21/h1-14H", "name": "Benzo[g]chrysene", "names": [ "Benzo[g]chrysene" ] }, { "compound_id": "C19341", "inchi": "InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H", "name": "Benzo[a]fluoranthene", "names": [ "Benzo[a]fluoranthene" ] }, { "compound_id": "C19342", "inchi": "InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H", "name": "Benzo[ghi]fluoranthene", "names": [ "2,13-Benzofluoranthene", "Benzo[ghi]fluoranthene" ] }, { "compound_id": "C19343", "inchi": "InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2", "name": "Benzo[a]fluorene", "names": [ "11H-Benzo[a]fluorene", "Benzo[a]fluorene" ] }, { "compound_id": "C19344", "inchi": "InChI=1S/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2", "name": "Benzo[c]fluorene", "names": [ "7H-Benzo[c]fluorene", "Benzo[c]fluorene" ] }, { "compound_id": "C19345", "inchi": "InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H", "name": "para-Benzoquinone dioxime", "names": [ "para-Benzoquinone dioxime" ] }, { "compound_id": "C19346", "inchi": "InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H", "name": "Benzoyl peroxide", "names": [ "Benzoyl peroxide" ] }, { "compound_id": "C19347", "inchi": "InChI=1S/C8H16N3OPS/c14-13(9-1-2-9,10-3-4-10)11-5-7-12-8-6-11/h1-8H2", "name": "Bis(1-aziridinyl)morpholinophosphine sulfide", "names": [ "Bis(1-aziridinyl)morpholinophosphine sulfide" ] }, { "compound_id": "C19348", "inchi": "InChI=1S/C4H8Cl2O2/c5-3-7-1-2-8-4-6/h1-4H2", "name": "1,2-Bis(chloromethoxy)ethane", "names": [ "1,2-Bis(chloromethoxy)ethane" ] }, { "compound_id": "C19349", "inchi": "InChI=1S/C10H12Cl2O2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-8H2", "name": "1,4-Bis(chloromethoxymethyl)benzene", "names": [ "1,4-Bis(chloromethoxymethyl)benzene" ] }, { "compound_id": "C19350", "inchi": "InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3", "name": "Bis(2-chloro-1-methylethyl)ether", "names": [ "Bis(2-chloro-1-methylethyl)ether", "DCIP" ] }, { "compound_id": "C19351", "inchi": "InChI=1S/C10H14O3/c1-3-7-9(12-7)5(1)11-6-2-4-8-10(6)13-8/h5-10H,1-4H2", "name": "Bis(2,3-epoxycyclopentyl)ether", "names": [ "Bis(2,3-epoxycyclopentyl)ether" ] }, { "compound_id": "C19352", "inchi": "InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2", "name": "Brilliant Blue", "names": [ "Brilliant Blue", "Brilliant Blue FCF, disodium salt" ] }, { "compound_id": "C19353", "inchi": "InChI=1S/C2HBrClN/c3-2(4)1-5/h2H", "name": "Bromochloroacetonitrile", "names": [ "Bromochloroacetonitrile" ] }, { "compound_id": "C19354", "inchi": "InChI=1S/C2H5Br/c1-2-3/h2H2,1H3", "name": "Bromoethane", "names": [ "Bromoethane", "Ethyl bromide" ] }, { "compound_id": "C19355", "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3", "name": "2-Butoxyethanol", "names": [ "2-Butoxyethanol" ] }, { "compound_id": "C19356", "inchi": "InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3", "name": "1-tert-Butoxy-2-propanol", "names": [ "1-(1,1-Dimethylethoxy)-2-propanol", "1-tert-Butoxy-2-propanol", "Propylene glycol mono-t-buthyl ether" ] }, { "compound_id": "C19357", "inchi": "InChI=1S/C14H10O5/c1-2-17-13(15)10-6-9-5-8-3-4-18-11(8)7-12(9)19-14(10)16/h3-7H,2H2,1H3", "name": "3-Carbethoxypsoralen", "names": [ "3-Carbethoxypsoralen" ] }, { "compound_id": "C19358", "inchi": "InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-21+;;", "name": "Carmoisine", "names": [ "Azorubin", "C.I. Acid Red 14", "Carmoisine" ] }, { "compound_id": "C19359", "inchi": "InChI=1S/ClH2N/c1-2/h2H2", "name": "Chloramine", "names": [ "Chloramine" ] }, { "compound_id": "C19360", "inchi": "InChI=1S/C2H2ClN/c3-1-2-4/h1H2", "name": "Chloroacetonitrile", "names": [ "Chloroacetonitrile" ] }, { "compound_id": "C19361", "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H", "name": "Chlorodifluoromethane", "names": [ "Chlorodifluoromethane" ] }, { "compound_id": "C19362", "inchi": "InChI=1S/CH2ClF/c2-1-3/h1H2", "name": "Chlorofluoromethane", "names": [ "Chlorofluoromethane" ] }, { "compound_id": "C19363", "inchi": "InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3", "name": "3-Chloro-2-methylpropene", "names": [ "3-Chloro-2-methylpropene" ] }, { "compound_id": "C19364", "inchi": "InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H", "name": "1-Chloro-3-nitrobenzene", "names": [ "1-Chloro-3-nitrobenzene" ] }, { "compound_id": "C19365", "inchi": "InChI=1S/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2", "name": "4-Chloro-meta-phenylenediamine", "names": [ "4-Chloro-1,3-benzenediamine", "4-Chloro-meta-phenylenediamine" ] }, { "compound_id": "C19366", "inchi": "InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3", "name": "5-Chloro-ortho-toluidine", "names": [ "5-Chloro-o-toluidine", "5-Chloro-ortho-toluidine" ] }, { "compound_id": "C19367", "inchi": "InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2", "name": "2-Chloro-1,1,1-trifluoroethane", "names": [ "2-Chloro-1,1,1-trifluoroethane" ] }, { "compound_id": "C19368", "inchi": "InChI=1S/Cr/q+3", "name": "Chromium (III)", "names": [ "Chromium (III)", "Chromium (III) ion" ] }, { "compound_id": "C19369", "inchi": "InChI=1S/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H/b16-15+;", "name": "Chrysoidine", "names": [ "Chrysoidine" ] }, { "compound_id": "C19370", "inchi": "InChI=1S/C18H14N4O7S.Na/c23-21(24)14-7-9-15(17(11-14)22(25)26)20-13-6-8-16(18(10-13)30(27,28)29)19-12-4-2-1-3-5-12;/h1-11,19-20H,(H,27,28,29);/q;+1/p-1", "name": "CI Acid Orange 3", "names": [ "2-Anilino-5-(2,4-dinitroanilino)-benzenesulfonic acid", "C.I. Acid Orange 3", "CI Acid Orange 3" ] }, { "compound_id": "C19371", "inchi": "InChI=1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1/b18-17+;", "name": "CI Acid Orange 20", "names": [ "C.I. Acid Orange 20", "CI Acid Orange 20" ] }, { "compound_id": "C19372", "inchi": "InChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-17+;;", "name": "CI Orange G", "names": [ "C.I. Orange G", "CI Orange G" ] }, { "compound_id": "C19373", "inchi": "InChI=1S/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3/b19-18+", "name": "CI Pigment Red 3", "names": [ "C.I. Pigment Red 3", "CI Pigment Red 3" ] }, { "compound_id": "C19374", "inchi": "InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+", "name": "Cinnamyl anthranilate", "names": [ "Cinnamyl anthranilate" ] }, { "compound_id": "C19375", "inchi": "InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H", "name": "Coronene", "names": [ "Coronene" ] }, { "compound_id": "C19376", "inchi": "InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3", "name": "meta-Cresidine", "names": [ "4-Methoxy-2-methyl-benzenamine", "m-Cresidine", "meta-Cresidine" ] }, { "compound_id": "C19377", "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+", "name": "Crotonaldehyde", "names": [ "2-Butenal", "Crotonaldehyde" ] }, { "compound_id": "C19378", "inchi": "InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1", "name": "Cyclamate", "names": [ "Cyclamate", "Sodium cyclamate" ] }, { "compound_id": "C19379", "inchi": "InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-22(36)16(10-32)27-15(12-6-4-3-5-7-12)8-18(34)28-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)29-14/h3-7,13-17,19-20,27,32-33H,2,8-11H2,1H3,(H,28,34)(H,29,37)(H,30,35,36)/t13?,14-,15+,16-,17-,19?,20-/m0/s1", "name": "Cyclochlorotine", "names": [ "Cyclochlorotine" ] }, { "compound_id": "C19380", "inchi": "InChI=1S/C19H12/c1-2-7-16-13(4-1)10-15-11-14-6-3-5-12-8-9-17(16)19(15)18(12)14/h1-10H,11H2", "name": "4H-Cyclopenta[def]chrysene", "names": [ "4H-Cyclopenta[def]chrysene" ] }, { "compound_id": "C19381", "inchi": "InChI=1S/C21H16/c1-2-6-18-14(4-1)8-10-16-13-21-17(12-20(16)18)11-9-15-5-3-7-19(15)21/h1-2,4,6,8-13H,3,5,7H2", "name": "5,6-Cyclopenteno-1,2-benzanthracene", "names": [ "2,3-Dihydro-1H-benzo[a]cyclopent[h]anthracene", "5,6-Cyclopenteno-1,2-benzanthracene" ] }, { "compound_id": "C19382", "inchi": "InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-19+;", "name": "D and C Red No. 9", "names": [ "C.I. Pigment Red 53", "D and C Red No. 9" ] }, { "compound_id": "C19383", "inchi": "InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22", "name": "Decabromodiphenyl oxide", "names": [ "Decabromodiphenyl oxide" ] }, { "compound_id": "C19384", "inchi": "InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2", "name": "1,2-Diamino-4-nitrobenzene", "names": [ "1,2-Diamino-4-nitrobenzene" ] }, { "compound_id": "C19385", "inchi": "InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2", "name": "1,4-Diamino-2-nitrobenzene", "names": [ "1,4-Diamino-2-nitrobenzene" ] }, { "compound_id": "C19386", "inchi": "InChI=1S/C7H10N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,8-9H2,1H3", "name": "2,5-Diaminotoluene", "names": [ "2,5-Diaminotoluene", "2-Methyl-1,4-benzenediamine" ] }, { "compound_id": "C19387", "inchi": "InChI=1S/CH2N2/c1-3-2/h1H2", "name": "Diazomethane", "names": [ "Diazomethane" ] }, { "compound_id": "C19388", "inchi": "InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H", "name": "Dibenz[a,c]anthracene", "names": [ "Benzo[b]triphenylene", "Benzotriphenylene", "Dibenz[a,c]anthracene" ] }, { "compound_id": "C19389", "inchi": "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H", "name": "Dibenz[a,j]anthracene", "names": [ "Dibenz[a,j]anthracene", "Dibenzo-1,2,7,8-anthracene" ] }, { "compound_id": "C19390", "inchi": "InChI=1S/C24H14/c1-3-9-17-15(7-1)13-22-19-11-5-6-12-20(19)23-18-10-4-2-8-16(18)14-21(17)24(22)23/h1-14H", "name": "Dibenzo[a,e]fluoranthene", "names": [ "2,3,5,6-Dibenzofluoranthene", "Dibenzo[a,e]fluoranthene" ] }, { "compound_id": "C19391", "inchi": "InChI=1S/C21H14/c1-3-7-17-14(5-1)11-12-19-20(17)13-16-10-9-15-6-2-4-8-18(15)21(16)19/h1-12H,13H2", "name": "13H-Dibenzo[a,g]fluorene", "names": [ "13H-Dibenzo[a,g]fluorene" ] }, { "compound_id": "C19392", "inchi": "InChI=1S/C28H16/c1-3-9-19-17(7-1)15-25-21-11-5-6-12-22(21)26-16-18-8-2-4-10-20(18)24-14-13-23(19)27(25)28(24)26/h1-16H", "name": "Dibenzo[h,rst]pentaphene", "names": [ "Dibenzo[h,rst]pentaphene" ] }, { "compound_id": "C19393", "inchi": "InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H", "name": "Dibenzo[a,e]pyrene", "names": [ "Dibenzo[a,e]pyrene", "Naphtho[1,2,3,4-def]chrysene" ] }, { "compound_id": "C19394", "inchi": "InChI=1S/C24H14/c1-2-8-16-15(7-1)19-11-5-13-21-17-9-3-4-10-18(17)22-14-6-12-20(16)24(22)23(19)21/h1-14H", "name": "Dibenzo[e,l]pyrene", "names": [ "Dibenzo[e,l]pyrene" ] }, { "compound_id": "C19395", "inchi": "InChI=1S/C2HCl2N/c3-2(4)1-5/h2H", "name": "Dichloroacetonitrile", "names": [ "Dichloroacetonitrile" ] }, { "compound_id": "C19396", "inchi": "InChI=1S/C2HBr2N/c3-2(4)1-5/h2H", "name": "Dibromoacetonitrile", "names": [ "Dibromoacetonitrile" ] }, { "compound_id": "C19397", "inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H", "name": "1,3-Dichlorobenzene", "names": [ "1,3-Dichlorobenzene", "meta-Dichlorobenzene" ] }, { "compound_id": "C19398", "inchi": "InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+", "name": "trans-1,4-Dichlorobutene", "names": [ "trans-1,4-Dichloro-2-butene", "trans-1,4-Dichlorobutene" ] }, { "compound_id": "C19399", "inchi": "InChI=1S/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2", "name": "2,6-Dichloro-para-phenylenediamine", "names": [ "2,6-Dichloro-1,4-benzenediamine", "2,6-Dichloro-para-phenylenediamine" ] }, { "compound_id": "C19400", "inchi": "InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)", "name": "N,N'-Diethylthiourea", "names": [ "1,3-Diethyl-2-thiourea", "N,N'-Diethylthiourea" ] }, { "compound_id": "C19401", "inchi": "InChI=1S/C16H12/c1-2-7-14-12(4-1)10-13-6-3-5-11-8-9-15(14)16(11)13/h1-7,10H,8-9H2", "name": "Dihydroaceanthrylene", "names": [ "1,2-Dihydroaceanthrylene", "Dihydroaceanthrylene" ] }, { "compound_id": "C19402", "inchi": "InChI=1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3", "name": "Dimethoxane", "names": [ "Dimethoxane" ] }, { "compound_id": "C19403", "inchi": "InChI=1S/C16H12N2O4/c1-21-15-7-11(3-5-13(15)17-9-19)12-4-6-14(18-10-20)16(8-12)22-2/h3-8H,1-2H3", "name": "3,3'-Dimethoxybenzidine-4,4'-diisocyanate", "names": [ "3,3'-Dimethoxybenzidine-4,4'-diisocyanate" ] }, { "compound_id": "C19404", "inchi": "InChI=1S/C13H10O3/c1-7-5-11(14)16-13-9(7)3-4-10-12(13)8(2)6-15-10/h3-6H,1-2H3", "name": "4,4'-Dimethylangelicin", "names": [ "4,4'-Dimethylangelicin" ] }, { "compound_id": "C19405", "inchi": "InChI=1S/C13H10O3/c1-7-5-12(14)16-13-9(7)3-4-11-10(13)6-8(2)15-11/h3-6H,1-2H3", "name": "4,5'-Dimethylangelicin", "names": [ "4,5'-Dimethylangelicin" ] }, { "compound_id": "C19406", "inchi": "InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3", "name": "Dimethyl hydrogen phosphite", "names": [ "Dimethyl hydrogen phosphite" ] }, { "compound_id": "C19407", "inchi": "InChI=1S/C16H14/c1-11-7-8-12(2)16-14(11)10-9-13-5-3-4-6-15(13)16/h3-10H,1-2H3", "name": "1,4-Dimethylphenanthrene", "names": [ "1,4-Dimethylphenanthrene" ] }, { "compound_id": "C19408", "inchi": "InChI=1S/C16H8N2O4/c19-17(20)13-8-14(18(21)22)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H", "name": "1,3-Dinitropyrene", "names": [ "1,3-Dinitropyrene" ] }, { "compound_id": "C19409", "inchi": "InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2", "name": "Dinitrosopentamethylenetetramine", "names": [ "Dinitrosopentamethylenetetramine" ] }, { "compound_id": "C19410", "inchi": "InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3", "name": "3,5-Dinitrotoluene", "names": [ "3,5-Dinitrotoluene" ] }, { "compound_id": "C19411", "inchi": "InChI=1S/C12H12N2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,13-14H2", "name": "2,4'-Diphenyldiamine", "names": [ "2,4'-Diaminobiphenyl", "2,4'-Diphenyldiamine" ] }, { "compound_id": "C19412", "inchi": "InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,20H,1-2H3,(H,16,19)/b18-17+", "name": "Disperse Yellow 3", "names": [ "Disperse Yellow 3", "N-[4-[2-(2-hydroxy-5-methylphenyl)diazenyl]phenyl]-acetamide" ] }, { "compound_id": "C19413", "inchi": "InChI=1S/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2", "name": "Doxefazepam", "names": [ "Doxefazepam" ] }, { "compound_id": "C19414", "inchi": "InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)", "name": "Doxylamine succinate", "names": [ "Doxylamine succinate" ] }, { "compound_id": "C19415", "inchi": "InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)", "name": "Dulcin", "names": [ "Dulcin" ] }, { "compound_id": "C19416", "inchi": "InChI=1S/C20H8Br4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H", "name": "Eosin", "names": [ "D & C Red no. 21", "Eosin" ] }, { "compound_id": "C19417", "inchi": "InChI=1S/C16H24O4/c1-8-3-12-14(19-12)5-10(8)7-18-16(17)11-6-15-13(20-15)4-9(11)2/h8-15H,3-7H2,1-2H3", "name": "3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate", "names": [ "3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate" ] }, { "compound_id": "C19418", "inchi": "InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)", "name": "cis-9,10-Epoxystearic acid", "names": [ "cis-9,10-Epoxystearic acid" ] }, { "compound_id": "C19419", "inchi": "InChI=1S/C2H4S/c1-2-3-1/h1-2H2", "name": "Ethylene sulfide", "names": [ "Ethylene sulfide", "Thiirane" ] }, { "compound_id": "C19420", "inchi": "InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3", "name": "2-Ethylhexyl acrylate", "names": [ "2-Ethylhexyl acrylate" ] }, { "compound_id": "C19421", "inchi": "InChI=1/C20H40N4S8Se/c1-9-21(10-2)17(25)29-33(30-18(26)22(11-3)12-4,31-19(27)23(13-5)14-6)32-20(28)24(15-7)16-8/h9-16H2,1-8H3", "name": "Ethyl selenac", "names": [ "Ethyl selenac" ] }, { "compound_id": "C19422", "inchi": "InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;", "name": "Evans blue", "names": [ "Evans blue" ] }, { "compound_id": "C19423", "inchi": "InChI=1S/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-1", "name": "Fast Green FCF", "names": [ "Fast Green FCF" ] }, { "compound_id": "C19424", "inchi": null, "name": "Ferric oxide", "names": [ "Ferric oxide" ] }, { "compound_id": "C19425", "inchi": "InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H", "name": "Fluoranthene", "names": [ "Fluoranthene" ] }, { "compound_id": "C19426", "inchi": "InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h9-10,20H,2-8,11-19H2,1H3/b10-9-", "name": "Glycidyl oleate", "names": [ "Glycidyl oleate" ] }, { "compound_id": "C19427", "inchi": "InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h20H,2-19H2,1H3", "name": "Glycidyl stearate", "names": [ "Glycidyl stearate" ] }, { "compound_id": "C19428", "inchi": "InChI=1S/C37H36N2O6S2.2Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);;/q;2*+1/p-1", "name": "Guinea Green B", "names": [ "C.I. Acid Green 3", "Guinea Green B" ] }, { "compound_id": "C19429", "inchi": "InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2", "name": "HC Blue No. 2", "names": [ "2,2'-[[4-[(2-Hydroxyethyl)amino]-3-nitrophenyl]imino]bis-ethanol", "HC Blue No. 2" ] }, { "compound_id": "C19430", "inchi": "InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2", "name": "HC Red No. 3", "names": [ "2-[(4-Amino-2-nitrophenyl)amino]-ethanol", "HC Red No. 3" ] }, { "compound_id": "C19431", "inchi": "InChI=1S/C10H14N2O5/c13-4-3-11-9-2-1-8(12(15)16)7-10(9)17-6-5-14/h1-2,7,11,13-14H,3-6H2", "name": "HC Yellow No. 4", "names": [ "2-[[2-(2-Hydroxyethoxy)-4-nitrophenyl]amino]-ethanol", "HC Yellow No. 4" ] }, { "compound_id": "C19432", "inchi": "InChI=1S/C20H24N2O2S.CH4O3S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-5(2,3)4/h5-10,21,23H,3-4,11-13H2,1-2H3;1H3,(H,2,3,4)", "name": "Hycanthone mesylate", "names": [ "Hycanthone mesylate" ] }, { "compound_id": "C19433", "inchi": "InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+", "name": "4-Hydroxyazobenzene", "names": [ "4-(Phenylazo)phenol", "4-Hydroxyazobenzene" ] }, { "compound_id": "C19434", "inchi": "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H", "name": "8-Hydroxyquinoline", "names": [ "8-Hydroxyquinoline", "Oxyquinoline" ] }, { "compound_id": "C19435", "inchi": "InChI=1S/C19H28NO7/c1-4-13-9-12(2)18(24,11-21)17(23)26-10-14-5-7-20(3)8-6-15(19(14,20)25)27-16(13)22/h4-5,12,15,21,24-25H,6-11H2,1-3H3/q+1/b13-4-/t12-,15-,18-,19+,20?/m1/s1", "name": "Hydroxysenkirkine", "names": [ "Hydroxysenkirkine" ] }, { "compound_id": "C19436", "inchi": null, "name": "Iron-dextrin complex", "names": [ "Dextriferron", "Iron-dextrin complex" ] }, { "compound_id": "C19437", "inchi": null, "name": "Iron sorbitex", "names": [ "Iron sorbitex" ] }, { "compound_id": "C19438", "inchi": "InChI=1S/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3", "name": "Lauroyl peroxide", "names": [ "Dilauroyl peroxide", "Lauroyl peroxide" ] }, { "compound_id": "C19439", "inchi": "InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-1", "name": "Light Green SF", "names": [ "C.I. Acid Green 5", "Light Green SF" ] }, { "compound_id": "C19440", "inchi": "InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2", "name": "Malonaldehyde", "names": [ "Malonaldehyde", "Malondialdehyde" ] }, { "compound_id": "C19441", "inchi": "InChI=1S/C10H22Cl2N2O4.2ClH/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12;;/h7-10,13-18H,1-6H2;2*1H/t7-,8-,9-,10-;;/m1../s1", "name": "Mannomustine dihydrochloride", "names": [ "Degranol", "Mannomustine dihydrochloride" ] }, { "compound_id": "C19442", "inchi": "InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m1/s1", "name": "Medphalan", "names": [ "D-Melphalan", "Medphalan" ] }, { "compound_id": "C19443", "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3", "name": "Methyl acrylate", "names": [ "Methyl acrylate" ] }, { "compound_id": "C19444", "inchi": "InChI=1S/C12H8O3/c1-7-6-10-9(4-5-14-10)12-8(7)2-3-11(13)15-12/h2-6H,1H3", "name": "5-Methylangelicin", "names": [ "5-Methylangelicin" ] }, { "compound_id": "C19445", "inchi": "InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)", "name": "Methyl carbamate", "names": [ "Methyl carbamate" ] }, { "compound_id": "C19446", "inchi": "InChI=1S/CH3Cl/c1-2/h1H3", "name": "Methyl chloride", "names": [ "Methyl chloride" ] }, { "compound_id": "C19447", "inchi": "InChI=1S/C19H14/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18/h2-12H,1H3", "name": "1-Methylchrysene", "names": [ "1-Methylchrysene" ] }, { "compound_id": "C19448", "inchi": "InChI=1S/C19H14/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18/h2-12H,1H3", "name": "2-Methylchrysene", "names": [ "2-Methylchrysene" ] }, { "compound_id": "C19449", "inchi": "InChI=1S/C19H14/c1-13-6-7-15-9-10-17-16-5-3-2-4-14(16)8-11-18(17)19(15)12-13/h2-12H,1H3", "name": "3-Methylchrysene", "names": [ "3-Methylchrysene" ] }, { "compound_id": "C19450", "inchi": "InChI=1S/C19H14/c1-13-5-4-7-15-10-11-17-16-8-3-2-6-14(16)9-12-18(17)19(13)15/h2-12H,1H3", "name": "4-Methylchrysene", "names": [ "4-Methylchrysene" ] }, { "compound_id": "C19451", "inchi": "InChI=1S/C19H14/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-12H,1H3", "name": "6-Methylchrysene", "names": [ "6-Methylchrysene" ] }, { "compound_id": "C19452", "inchi": "InChI=1S/C7H7N3O2/c1-10(9-12)7-4-2-6(8-11)3-5-7/h2-5H,1H3", "name": "N-Methyl-N,4-dinitrosoaniline", "names": [ "N,4-Dinitrosomethylaniline", "N-Methyl-N,4-dinitrosoaniline" ] }, { "compound_id": "C19453", "inchi": "InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2", "name": "4,4'-Methylenediphenyl diisocyanate", "names": [ "4,4'-Methylenediphenyl diisocyanate", "Methylenebisphenyl diisocyanate" ] }, { "compound_id": "C19454", "inchi": "InChI=1S/C17H12/c1-11-9-12-5-4-8-15-13-6-2-3-7-14(13)16(10-11)17(12)15/h2-10H,1H3", "name": "2-Methylfluoranthene", "names": [ "2-Methylfluoranthene" ] }, { "compound_id": "C19455", "inchi": "InChI=1S/C17H12/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16/h2-10H,1H3", "name": "3-Methylfluoranthene", "names": [ "3-Methylfluoranthene" ] }, { "compound_id": "C19456", "inchi": "InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)", "name": "N-Methylolacrylamide", "names": [ "N-(Hydroxymethyl)acrylamide", "N-Methylolacrylamide" ] }, { "compound_id": "C19457", "inchi": "InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3", "name": "1-Methylphenanthrene", "names": [ "1-Methylphenanthrene" ] }, { "compound_id": "C19458", "inchi": "InChI=1S/C15H9NO3/c1-8-13-9(3-5-18-13)6-11-10-2-4-16-7-12(10)15(17)19-14(8)11/h2-7H,1H3", "name": "7-Methylpyrido[3,4-c]psoralen", "names": [ "7-Methylpyrido[3,4-c]psoralen" ] }, { "compound_id": "C19459", "inchi": "InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+", "name": "Methyl red", "names": [ "Methyl red", "o-Methyl red" ] }, { "compound_id": "C19460", "inchi": "InChI=1S/C12H24N4S8Se/c1-13(2)9(17)21-25(22-10(18)14(3)4,23-11(19)15(5)6)24-12(20)16(7)8/h1-8H3", "name": "Methyl selenac", "names": [ "Methyl selenac", "Tetrakis(dimethyldithiocarbamato)-selenium" ] }, { "compound_id": "C19461", "inchi": "InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3", "name": "Musk ambrette", "names": [ "Musk ambrette" ] }, { "compound_id": "C19462", "inchi": "InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3", "name": "Musk xylene", "names": [ "Musk xylene" ] }, { "compound_id": "C19463", "inchi": "InChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2", "name": "1,5-Naphthalenediamine", "names": [ "1,5-Naphthalenediamine" ] }, { "compound_id": "C19464", "inchi": "InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H", "name": "1,5-Naphthalene diisocyanate", "names": [ "1,5-Naphthalene diisocyanate" ] }, { "compound_id": "C19465", "inchi": "InChI=1S/C24H14/c1-2-7-16-15(6-1)12-13-19-21-11-5-10-20-17-8-3-4-9-18(17)23(24(20)21)14-22(16)19/h1-14H", "name": "Naphtho[1,2-b]fluoranthene", "names": [ "Indeno[1,2,3-hi]chrysene", "Naphtho[1,2-b]fluoranthene" ] }, { "compound_id": "C19466", "inchi": "InChI=1S/C24H14/c1-2-8-17-15(6-1)12-13-21-22(17)14-16-7-5-11-19-18-9-3-4-10-20(18)24(21)23(16)19/h1-14H", "name": "Naphtho[2,1-a]fluoranthene", "names": [ "Dibenz[a,j]aceanthrylene", "Naphtho[2,1-a]fluoranthene" ] }, { "compound_id": "C19467", "inchi": "InChI=1S/C24H14/c1-2-6-18-14-22-20-10-4-8-16-12-11-15-7-3-9-19(23(15)24(16)20)21(22)13-17(18)5-1/h1-14H", "name": "Naphtho[2,3-e]pyrene", "names": [ "Dibenzo[de,qr]naphthacene", "Naphtho[2,3-e]pyrene" ] }, { "compound_id": "C19468", "inchi": "InChI=1S/C6H8N4O3S/c1-2-7-5(11)9-6-8-3-4(14-6)10(12)13/h3H,2H2,1H3,(H2,7,8,9,11)", "name": "Nithiazide", "names": [ "Nithiazide" ] }, { "compound_id": "C19469", "inchi": "InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3", "name": "5-Nitro-ortho-anisidine", "names": [ "2-Methoxy-5-nitroaniline", "5-Nitro-ortho-anisidine" ] }, { "compound_id": "C19470", "inchi": "InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H", "name": "9-Nitroanthracene", "names": [ "9-Nitroanthracene" ] }, { "compound_id": "C19471", "inchi": "InChI=1S/C18H11NO2/c20-19(21)18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(14)9-10-16(17)18/h1-11H", "name": "7-Nitrobenz[a]anthracene", "names": [ "7-Nitrobenz[a]anthracene" ] }, { "compound_id": "C19472", "inchi": "InChI=1S/C20H11NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H", "name": "6-Nitrobenzo[a]pyrene", "names": [ "6-Nitrobenzo[a]pyrene" ] }, { "compound_id": "C19473", "inchi": "InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H", "name": "4-Nitrobiphenyl", "names": [ "4-Nitro-1,1'-biphenyl", "4-Nitrobiphenyl" ] }, { "compound_id": "C19474", "inchi": "InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H", "name": "2-Nitronaphthalene", "names": [ "2-Nitronaphthalene" ] }, { "compound_id": "C19475", "inchi": "InChI=1S/C20H11NO2/c22-21(23)18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H", "name": "3-Nitroperylene", "names": [ "3-Nitroperylene" ] }, { "compound_id": "C19476", "inchi": "InChI=1S/C16H9NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H", "name": "2-Nitropyrene", "names": [ "2-Nitropyrene" ] }, { "compound_id": "C19477", "inchi": "InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2", "name": "N'-Nitrosoanabasine", "names": [ "3-(1-Nitroso-2-piperidinyl)-pyridine", "N'-Nitrosoanabasine" ] }, { "compound_id": "C19478", "inchi": "InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h2-4,6-8,10H,1,5H2/t10-/m1/s1", "name": "N'-Nitrosoanatabine", "names": [ "N'-Nitrosoanatabine", "NAT" ] }, { "compound_id": "C19479", "inchi": "InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H", "name": "para-Nitrosodiphenylamine", "names": [ "4-Nitroso-N-phenyl-benzenamine", "para-Nitrosodiphenylamine" ] }, { "compound_id": "C19480", "inchi": "InChI=1S/C19H18N8O7/c20-19-24-15-14(16(30)25-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)17(31)27(26-34)12(18(32)33)5-6-13(28)29/h1-4,8,12,21H,5-7H2,(H,28,29)(H,32,33)(H3,20,22,24,25,30)/t12-/m0/s1", "name": "N-Nitrosofolic acid", "names": [ "N-Nitrosofolic acid", "N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-L-Glutamic acid" ] }, { "compound_id": "C19481", "inchi": "InChI=1S/C6H8N2O3/c9-6(10)5-2-1-3-8(4-5)7-11/h2H,1,3-4H2,(H,9,10)", "name": "N-Nitrosoguvacine", "names": [ "N-Nitrosoguvacine" ] }, { "compound_id": "C19482", "inchi": "InChI=1S/C7H10N2O3/c1-12-7(10)6-3-2-4-9(5-6)8-11/h3H,2,4-5H2,1H3", "name": "N-Nitrosoguvacoline", "names": [ "N-Nitrosoguvacoline" ] }, { "compound_id": "C19483", "inchi": "InChI=1S/C5H8N2O4/c8-3-1-4(5(9)10)7(2-3)6-11/h3-4,8H,1-2H2,(H,9,10)/t3-,4+/m1/s1", "name": "N-Nitrosohydroxyproline", "names": [ "4-Hydroxy-1-nitroso-L-proline", "N-Nitrosohydroxyproline" ] }, { "compound_id": "C19484", "inchi": "InChI=1S/C4H8N2O2/c1-6(5-8)3-2-4-7/h4H,2-3H2,1H3", "name": "3-(N-Nitrosomethylamino)propionaldehyde", "names": [ "3-(Methylnitrosoamino)-propanal", "3-(N-Nitrosomethylamino)propionaldehyde" ] }, { "compound_id": "C19485", "inchi": "InChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9)/t4-/m0/s1", "name": "N-Nitrosoproline", "names": [ "1-Nitroso-L-proline", "N-Nitrosoproline" ] }, { "compound_id": "C19486", "inchi": "InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3", "name": "3-Nitrotoluene", "names": [ "3-Nitrotoluene" ] }, { "compound_id": "C19487", "inchi": "InChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18)/b3-1+,4-2+", "name": "Nitrovin", "names": [ "Difurazone", "Nitrovin" ] }, { "compound_id": "C19488", "inchi": "InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3", "name": "7,12-Dimethylbenz[a]anthracene", "names": [ "7,12-Dimethylbenz[a]anthracene", "DMBA" ] }, { "compound_id": "C19489", "inchi": "InChI=1S/C20H16O/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18-20(17)21-18/h3-10,18,20H,1-2H3", "name": "1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene", "names": [ "1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene" ] }, { "compound_id": "C19490", "inchi": "InChI=1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3/t18-,20-/m0/s1", "name": "trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene", "names": [ "trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene", "trans-DMBA-3,4-dihydrodiol" ] }, { "compound_id": "C19491", "inchi": "InChI=1S/C5H11NO/c1-3-5(2)4-6-7/h4-5,7H,3H2,1-2H3/b6-4-", "name": "2-methylbutanal oxime", "names": [ "2-methylbutanal oxime" ] }, { "compound_id": "C19492", "inchi": null, "name": "Nylon 6", "names": [ "Nylon 6", "Policapram" ] }, { "compound_id": "C19493", "inchi": "InChI=1S/C42H50Cl4N2O4/c1-42-17-16-36-35-13-11-34(51-40(49)26-29-2-7-32(8-3-29)47(22-18-43)23-19-44)28-31(35)6-12-37(36)38(42)14-15-39(42)52-41(50)27-30-4-9-33(10-5-30)48(24-20-45)25-21-46/h2-5,7-11,13,28,36-39H,6,12,14-27H2,1H3/t36-,37-,38+,39+,42+/m1/s1", "name": "Estradiol mustard", "names": [ "Estradiol mustard", "Oestradiol mustard" ] }, { "compound_id": "C19494", "inchi": "InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3", "name": "Oxyphenbutazone", "names": [ "Oxyphenbutazone" ] }, { "compound_id": "C19495", "inchi": "InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4+", "name": "Penicillic acid", "names": [ "3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acid", "Penicillic acid" ] }, { "compound_id": "C19496", "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H", "name": "Pentachloroethane", "names": [ "1,1,1,2,2-Pentachloro-ethane", "Pentachloroethane" ] }, { "compound_id": "C19497", "inchi": "InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H", "name": "Perylene", "names": [ "Perylene" ] }, { "compound_id": "C19498", "inchi": "InChI=1S/C7H9N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)", "name": "Phenicarbazide", "names": [ "Phenicarbazide" ] }, { "compound_id": "C19499", "inchi": "InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2", "name": "para-Phenylenediamine", "names": [ "1,4-Benzenediamine", "para-Phenylenediamine" ] }, { "compound_id": "C19500", "inchi": "InChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H", "name": "Picene", "names": [ "Benzo[a]chrysene", "Picene" ] }, { "compound_id": "C19501", "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)", "name": "Polyacrylic acid", "names": [ "Polyacrylic acid" ] }, { "compound_id": "C19502", "inchi": "InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2", "name": "Polychloroprene", "names": [ "Polychloroprene" ] }, { "compound_id": "C19503", "inchi": "InChI=1S/C2H4/c1-2/h1-2H2", "name": "Polyethylene", "names": [ "Polyethylene" ] }, { "compound_id": "C19504", "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3", "name": "Polymethyl methacrylate", "names": [ "Polymethyl methacrylate" ] }, { "compound_id": "C19505", "inchi": null, "name": "Polipropene 25", "names": [ "Polipropene 25", "Polypropylene" ] }, { "compound_id": "C19506", "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2", "name": "Polystyrene", "names": [ "Polystyrene" ] }, { "compound_id": "C19507", "inchi": null, "name": "Polytetrafluoroethylene", "names": [ "Polytef", "Polytetrafluoroethylene" ] }, { "compound_id": "C19508", "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2", "name": "Polyvinyl chloride", "names": [ "Polyvinyl chloride" ] }, { "compound_id": "C19509", "inchi": null, "name": "Polyvinyl pyrrolidone", "names": [ "Polyvinyl pyrrolidone", "Povidone" ] }, { "compound_id": "C19510", "inchi": "InChI=1S/C18H16N2O7S2.2Na/c1-10-7-11(2)17(28(22,23)24)9-14(10)19-20-15-8-16(21)12-5-3-4-6-13(12)18(15)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;", "name": "Ponceau SX", "names": [ "C.I. 14700", "Ponceau SX" ] }, { "compound_id": "C19511", "inchi": "InChI=1S/C5H11NO2S2.K/c7-3-1-6(2-4-8)5(9)10;/h7-8H,1-4H2,(H,9,10);/q;+1/p-1", "name": "Potassium bis(2-hydroxyethyl)dithiocarbamate", "names": [ "Bis(2-hydroxyethyl)dithiocarbamic acid, potassium salt", "Potassium bis(2-hydroxyethyl)dithiocarbamate" ] }, { "compound_id": "C19512", "inchi": "InChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3/t27-,28-,29-,32+,33-,34-,35-/m0/s1", "name": "Prednimustine", "names": [ "Prednimustine" ] }, { "compound_id": "C19513", "inchi": "InChI=1S/C15H19NO.ClH/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14;/h3-9,11,15-17H,10H2,1-2H3;1H", "name": "Pronetalol hydrochloride", "names": [ "Pronetalol hydrochloride" ] }, { "compound_id": "C19514", "inchi": "InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)", "name": "n-Propyl carbamate", "names": [ "n-Propyl carbamate" ] }, { "compound_id": "C19515", "inchi": "InChI=1S/C20H30O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,13-17,21,23-26H,4-6,8H2,1-3H3/t9-,11-,13-,14+,15-,16?,17?,18+,20-/m1/s1", "name": "Ptaquiloside", "names": [ "Braxin C", "Ptaquiloside" ] }, { "compound_id": "C19516", "inchi": "InChI=1S/C14H7NO3/c16-14-11-7-15-3-1-9(11)10-5-8-2-4-17-12(8)6-13(10)18-14/h1-7H", "name": "Pyrido[3,4-c]psoralen", "names": [ "Pyrido[3,4-c]psoralen" ] }, { "compound_id": "C19517", "inchi": "InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H", "name": "Rhodamine B", "names": [ "Rhodamine B" ] }, { "compound_id": "C19518", "inchi": "InChI=1S/C15H16N4O/c1-3-19-15-13(10(2)18-19)17-12(20)9-16-14(15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,20)", "name": "Ripazepam", "names": [ "Ripazepam" ] }, { "compound_id": "C19519", "inchi": null, "name": "Saccharated iron oxide", "names": [ "Ferric oxide, saccharated", "Iron sucrose", "Saccharated iron oxide" ] }, { "compound_id": "C19520", "inchi": "InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3/b26-25+,28-27+", "name": "Scarlet Red", "names": [ "1-[2-[2-Methyl-4-[2-(2-methylphenyl)diazenyl]phenyl]diazenyl]-2-naphthalenol", "Scarlet Red" ] }, { "compound_id": "C19521", "inchi": "InChI=1S/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H", "name": "Semicarbazide hydrochloride", "names": [ "Semicarbazide hydrochloride" ] }, { "compound_id": "C19522", "inchi": null, "name": "Sepiolite", "names": [ "Sepiolite" ] }, { "compound_id": "C19523", "inchi": "InChI=1S/ClHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1", "name": "Sodium chlorite", "names": [ "Sodium chlorite", "Textone" ] }, { "compound_id": "C19524", "inchi": "InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2", "name": "Succinic anhydride", "names": [ "Dihydro-2,5-furandione", "Succinic anhydride" ] }, { "compound_id": "C19525", "inchi": "InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+", "name": "Sudan I", "names": [ "C.I. Solvent Yellow 14", "Sudan I" ] }, { "compound_id": "C19526", "inchi": "InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3/b20-19+", "name": "Sudan II", "names": [ "C.I. Solvent Orange 7", "Sudan II" ] }, { "compound_id": "C19527", "inchi": "InChI=1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H/b24-23+,26-25+", "name": "Sudan III", "names": [ "C.I. Solvent Red 23", "Sudan III" ] }, { "compound_id": "C19528", "inchi": "InChI=1S/C16H14N4/c17-12-8-9-16(14(18)10-12)20-19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,17-18H2/b20-19+", "name": "Sudan Brown RR", "names": [ "4-[2-(1-Naphthalenyl)diazenyl]-1,3-benzenediamine", "C.I. 11285", "Sudan Brown RR" ] }, { "compound_id": "C19529", "inchi": "InChI=1S/C24H21N5/c1-2-25-23-17-12-18-8-6-7-11-22(18)24(23)29-28-21-15-13-20(14-16-21)27-26-19-9-4-3-5-10-19/h3-17,25H,2H2,1H3/b27-26+,29-28+", "name": "Sudan Red 7B", "names": [ "C.I. Solvent Red 19", "N-Ethyl-1-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-2-naphthalenamine", "Oil Violet", "Sudan Red 7B" ] }, { "compound_id": "C19530", "inchi": "InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)", "name": "Sulfamethazine", "names": [ "Sulfamethazine" ] }, { "compound_id": "C19531", "inchi": "InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-17+;;", "name": "Sunset Yellow FCF", "names": [ "C.I. Food Yellow 3", "Sunset Yellow FCF" ] }, { "compound_id": "C19532", "inchi": null, "name": "Strobane", "names": [ "Strobane", "Terpene polychlorinates" ] }, { "compound_id": "C19533", "inchi": "InChI=1S/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2", "name": "2,2',5,5'-Tetrachlorobenzidine", "names": [ "2,2',5,5'-Tetrachlorobenzidine" ] }, { "compound_id": "C19534", "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H", "name": "1,1,2,2-Tetrachloroethane", "names": [ "1,1,2,2-Tetrachloroethane", "Tetrachloroethane" ] }, { "compound_id": "C19535", "inchi": "InChI=1S/C2Cl3N/c3-2(4,5)1-6", "name": "Trichloroacetonitrile", "names": [ "2,2,2-Trichloro-acetonitrile", "Trichloroacetonitrile" ] }, { "compound_id": "C19536", "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2", "name": "1,1,2-Trichloroethane", "names": [ "1,1,2-Trichloroethane" ] }, { "compound_id": "C19537", "inchi": "InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2", "name": "Triethylene glycol diglycidyl ether", "names": [ "Etoglucid", "Triethylene glycol diglycidyl ether" ] }, { "compound_id": "C19538", "inchi": "InChI=1S/C14H12O3/c1-7-5-11(15)17-14-10(7)4-8(2)13-12(14)9(3)6-16-13/h4-6H,1-3H3", "name": "4,4',6-Trimethylangelicin", "names": [ "4,4',6-Trimethylangelicin" ] }, { "compound_id": "C19539", "inchi": "InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3", "name": "2,4,5-Trimethylaniline", "names": [ "2,4,5-Trimethylaniline" ] }, { "compound_id": "C19540", "inchi": "InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3", "name": "2,4,6-Trimethylaniline", "names": [ "2,4,6-Trimethylaniline" ] }, { "compound_id": "C19541", "inchi": "InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H", "name": "Triphenylene", "names": [ "Triphenylene" ] }, { "compound_id": "C19542", "inchi": "InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2", "name": "Triaziquone", "names": [ "Triaziquone", "Tris(aziridinyl)-para-benzoquinone" ] }, { "compound_id": "C19543", "inchi": "InChI=1S/C6H12N3OP/c10-11(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2", "name": "Tris(1-aziridinyl)phosphine oxide", "names": [ "APO", "TEPA", "Tris(1-aziridinyl)phosphine oxide" ] }, { "compound_id": "C19544", "inchi": "InChI=1S/C6H11Cl3O3/c7-3-10-1-6(12-5-9)2-11-4-8/h6H,1-5H2", "name": "1,2,3-Tris(chloromethoxy)propane", "names": [ "1,2,3-Tris(chloromethoxy)propane" ] }, { "compound_id": "C19545", "inchi": "InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H", "name": "Vat Yellow 4", "names": [ "C.I. Vat Yellow 4", "Dibenzo[b,def]chrysene-7,14-dione", "Vat Yellow 4" ] }, { "compound_id": "C19546", "inchi": "InChI=1S/C4H6O2.C2H3Cl/c1-3-6-4(2)5;1-2-3/h3H,1H2,2H3;2H,1H2", "name": "Vinyl chloride-vinyl acetate copolymer", "names": [ "Pevikon", "Vinyl chloride-vinyl acetate copolymer" ] }, { "compound_id": "C19547", "inchi": "InChI=1S/C2H2F2/c1-2(3)4/h1H2", "name": "Vinylidene fluoride", "names": [ "1,1-Difluoroethene", "Vinylidene fluoride" ] }, { "compound_id": "C19548", "inchi": "InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2", "name": "N-Vinyl-2-pyrrolidone", "names": [ "1-Ethenyl-2-pyrrolidinone", "N-Vinyl-2-pyrrolidone" ] }, { "compound_id": "C19549", "inchi": null, "name": "Vinyl toluene", "names": [ "Vinyl toluene" ] }, { "compound_id": "C19550", "inchi": null, "name": "Wollastonite", "names": [ "Wollastonite" ] }, { "compound_id": "C19551", "inchi": null, "name": "Xylenes", "names": [ "Xylenes" ] }, { "compound_id": "C19552", "inchi": "InChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2/b19-18+", "name": "Yellow AB", "names": [ "1-(2-Phenyldiazenyl)-2-naphthalenamine", "Yellow AB" ] }, { "compound_id": "C19553", "inchi": "InChI=1S/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-14-8-4-3-7-13(14)10-11-15(17)18/h2-11H,18H2,1H3/b20-19+", "name": "Yellow OB", "names": [ "1-[2-(2-Methylphenyl)diazenyl]-2-naphthalenamine", "Yellow OB" ] }, { "compound_id": "C19554", "inchi": null, "name": "Acriflavinium chloride", "names": [ "Acriflavinium chloride" ] }, { "compound_id": "C19555", "inchi": null, "name": "Hematite", "names": [ "Hematite" ] }, { "compound_id": "C19556", "inchi": "InChI=1S/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3", "name": "Tris(2-methyl-1-aziridinyl)phosphine oxide", "names": [ "Metepa", "Tris(2-methyl-1-aziridinyl)phosphine oxide" ] }, { "compound_id": "C19557", "inchi": "InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1", "name": "Treosulfan", "names": [ "Treosulfan" ] }, { "compound_id": "C19558", "inchi": "InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6-", "name": "AF-2", "names": [ "2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide", "AF-2", "Furylfuramide" ] }, { "compound_id": "C19559", "inchi": "InChI=1S/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3/t17-,18+,19-,20+/m0/s1", "name": "(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol", "names": [ "(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol" ] }, { "compound_id": "C19560", "inchi": null, "name": "Toluene diisocyanates", "names": [ "Toluene diisocyanates" ] }, { "compound_id": "C19561", "inchi": "InChI=1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11,21H,12H2,1H3", "name": "7-Hydroxymethyl-12-methylbenz[a]anthracene", "names": [ "12-Methylbenz[a]anthracene-7-methanol", "7-Hydroxymethyl-12-methylbenz[a]anthracene" ] }, { "compound_id": "C19562", "inchi": "InChI=1S/C20H16O4S/c1-13-15-7-4-5-9-17(15)19(12-24-25(21,22)23)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3,(H,21,22,23)", "name": "7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate", "names": [ "7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate" ] }, { "compound_id": "C19563", "inchi": "InChI=1S/C10H13N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,14H,2,4,6,8H2", "name": "4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone", "names": [ "4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone" ] }, { "compound_id": "C19564", "inchi": "InChI=1S/C9H11N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2,(H,11,14)", "name": "4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone", "names": [ "4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone" ] }, { "compound_id": "C19565", "inchi": "InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2", "name": "4-Hydroxy-1-(3-pyridinyl)-1-butanone", "names": [ "4-Hydroxy-1-(3-pyridinyl)-1-butanone" ] }, { "compound_id": "C19566", "inchi": "InChI=1S/C10H13N3O3/c1-13(12-16)10(15)5-4-9(14)8-3-2-6-11-7-8/h2-3,6-7,10,15H,4-5H2,1H3", "name": "4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone", "names": [ "4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone" ] }, { "compound_id": "C19567", "inchi": "InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2", "name": "4-Oxo-1-(3-pyridyl)-1-butanone", "names": [ "4-Oxo-1-(3-pyridyl)-1-butanone", "gamma-Oxo-3-pyridinebutanal" ] }, { "compound_id": "C19568", "inchi": "InChI=1S/CH4N2O/c1-2-3-4/h1H3,(H,2,4)", "name": "N-nitrosomethanamine", "names": [ "N-nitrosomethanamine" ] }, { "compound_id": "C19569", "inchi": "InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)", "name": "3-Succinoylpyridine", "names": [ "3-Succinoylpyridine" ] }, { "compound_id": "C19570", "inchi": "InChI=1S/4C5H11NS2.Te/c4*1-3-6(4-2)5(7)8;/h4*3-4H2,1-2H3,(H,7,8);/q;;;;+4/p-4", "name": "Ethyl tellurac", "names": [ "Ethyl tellurac" ] }, { "compound_id": "C19571", "inchi": null, "name": "Polymethylene polyphenyl isocyanate", "names": [ "Polymethylene polyphenyl isocyanate" ] }, { "compound_id": "C19572", "inchi": null, "name": "Silica", "names": [ "Silica", "Silica, amorphous" ] }, { "compound_id": "C19573", "inchi": "InChI=1S/C8H8.C3H3N/c1-2-8-6-4-3-5-7-8;1-2-3-4/h2-7H,1H2;2H,1H2", "name": "Styrene-acrylonitrile copolymer", "names": [ "Styrene-acrylonitrile copolymer" ] }, { "compound_id": "C19574", "inchi": "InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3", "name": "4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol", "names": [ "4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol", "NNAL" ] }, { "compound_id": "C19575", "inchi": "InChI=1S/C8H8.C4H6/c1-2-8-6-4-3-5-7-8;1-3-4-2/h2-7H,1H2;3-4H,1-2H2", "name": "Styrene-butadiene copolymer", "names": [ "Styrene-butadiene copolymer" ] }, { "compound_id": "C19576", "inchi": null, "name": "Zeolites", "names": [ "Zeolites" ] }, { "compound_id": "C19577", "inchi": "InChI=1S/C10H15N3O3/c1-13(12-16)10(15)5-4-9(14)8-3-2-6-11-7-8/h2-3,6-7,9-10,14-15H,4-5H2,1H3", "name": "1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol", "names": [ "1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol" ] }, { "compound_id": "C19578", "inchi": "InChI=1S/C9H11NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8-9,11H,3-4H2", "name": "5-(3-Pyridyl)-2-hydroxytetrahydrofuran", "names": [ "5-(3-Pyridyl)-2-hydroxytetrahydrofuran" ] }, { "compound_id": "C19579", "inchi": "InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)", "name": "gamma-Hydroxy-3-pyridinebutanoate", "names": [ "gamma-Hydroxy-3-pyridinebutanoate" ] }, { "compound_id": "C19580", "inchi": "InChI=1S/C10H15N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,10,14-15H,2,4,6,8H2", "name": "alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol", "names": [ "alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol" ] }, { "compound_id": "C19581", "inchi": "InChI=1S/C9H13N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7,9,13H,2,4,6H2,(H,11,14)", "name": "alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol", "names": [ "alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol" ] }, { "compound_id": "C19582", "inchi": "InChI=1S/C9H13NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9,11-12H,2,4,6H2", "name": "1-(3-Pyridinyl)-1,4-butanediol", "names": [ "1-(3-Pyridinyl)-1,4-butanediol" ] }, { "compound_id": "C19583", "inchi": "InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17-/m1/s1", "name": "Fusarenone X", "names": [ "Fusarenon-X", "Fusarenone X" ] }, { "compound_id": "C19584", "inchi": "InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8-9,17-18H,2-3H2,1H3/t8-,9?,17+/m0/s1", "name": "Aflatoxicol", "names": [ "AFL", "Aflatoxicol" ] }, { "compound_id": "C19585", "inchi": "InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1", "name": "Aflatoxin Q1", "names": [ "Aflatoxin Q1" ] }, { "compound_id": "C19586", "inchi": "InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1", "name": "Aflatoxin B1-exo-8,9-epoxide", "names": [ "2,3-Epoxyaflatoxin B1", "Aflatoxin B1-exo-8,9-epoxide" ] }, { "compound_id": "C19587", "inchi": "InChI=1S/C16H10O6/c17-8-2-1-6-11-9(18)5-10-13(7-3-4-20-16(7)21-10)14(11)22-15(19)12(6)8/h3-5,7,16,18H,1-2H2/t7-,16+/m0/s1", "name": "Aflatoxin P1", "names": [ "AFP1", "Aflatoxin P1" ] }, { "compound_id": "C19588", "inchi": "InChI=1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13-,16-,17+/m1/s1", "name": "Aflatoxin B1 diol", "names": [ "Aflatoxin B1 diol", "Aflatoxin B1-2,3-dihydrodiol" ] }, { "compound_id": "C19589", "inchi": "InChI=1S/C17H14O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4-6,8,11,21-22H,2-3H2,1H3/t8-,11-/m0/s1", "name": "Aflatoxin B1 dialdehyde", "names": [ "Aflatoxin B1 dialdehyde" ] }, { "compound_id": "C19590", "inchi": "InChI=1S/C17H18O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,8,11,18-19,21-22H,2-3,5-6H2,1H3", "name": "6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione", "names": [ "6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione" ] }, { "compound_id": "C19591", "inchi": "InChI=1S/C17H16O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,6,8,11,18,21-22H,2-3,5H2,1H3", "name": "1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal", "names": [ "1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal" ] }, { "compound_id": "C19592", "inchi": "InChI=1S/C17H16O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4-5,8,11,19,21-22H,2-3,6H2,1H3", "name": "alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde", "names": [ "alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde" ] }, { "compound_id": "C19594", "inchi": "InChI=1S/C17H12O8/c1-21-7-4-8-11(17(20)13-15(24-13)25-16(17)22-8)12-10(7)5-2-3-6(18)9(5)14(19)23-12/h4,13,15-16,20H,2-3H2,1H3/t13-,15-,16-,17-/m0/s1", "name": "Aflatoxin-M1-8,9-epoxide", "names": [ "Aflatoxin-M1-8,9-epoxide" ] }, { "compound_id": "C19595", "inchi": "InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14+,16+,17-/m1/s1", "name": "Aflatoxin B1-endo-8,9-epoxide", "names": [ "Aflatoxin B1-endo-8,9-epoxide" ] }, { "compound_id": "C19596", "inchi": null, "name": "Lipooligosaccharide", "names": [ "LOS", "Lipooligosaccharide" ] }, { "compound_id": "C19597", "inchi": "InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3", "name": "2-Nitrotoluene", "names": [ "2-Nitrotoluene" ] }, { "compound_id": "C19598", "inchi": null, "name": "Polyurethane foam", "names": [ "Polyurethane foam", "Polyurethane foams" ] }, { "compound_id": "C19599", "inchi": "InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1", "name": "Sodium diethyldithiocarbamate", "names": [ "Ditiocarb sodium", "Sodium diethyldithiocarbamate" ] }, { "compound_id": "C19602", "inchi": "InChI=1S/C10H13N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8H,3,5-6H2,1H3", "name": "4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone", "names": [ "4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone", "4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone", "NNK-N-oxide" ] }, { "compound_id": "C19603", "inchi": "InChI=1S/C10H15N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8,10,14H,3,5-6H2,1H3", "name": "4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol", "names": [ "4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol", "NNAL-N-oxide" ] }, { "compound_id": "C19604", "inchi": "InChI=1S/C20H16O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19-20(18)21-19/h3-10,19-20H,1-2H3", "name": "7,12-Dimethylbenz[a]anthracene 5,6-oxide", "names": [ "7,12-Dimethylbenz[a]anthracene 5,6-oxide", "DMBA-5,6-epoxide" ] }, { "compound_id": "C19605", "inchi": "InChI=1S/C16H23N3O8/c1-19(18-25)7-3-5-10(9-4-2-6-17-8-9)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h2,4,6,8,10-14,16,20-22H,3,5,7H2,1H3,(H,23,24)/t10-,11-,12-,13+,14-,16+/m0/s1", "name": "4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide", "names": [ "4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide", "NNAL-O-glucuronide" ] }, { "compound_id": "C19606", "inchi": "InChI=1S/C16H23N3O8/c1-18(17-26)6-3-5-10(20)9-4-2-7-19(8-9)15-13(23)11(21)12(22)14(27-15)16(24)25/h2,4,7-8,10-15,20-23H,3,5-6H2,1H3/t10?,11-,12-,13+,14-,15+/m0/s1", "name": "NNAL-N-glucuronide", "names": [ "NNAL-N-glucuronide" ] }, { "compound_id": "C19607", "inchi": "InChI=1S/C20H18O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,19-22H,1-2H3/t19-,20-/m0/s1", "name": "trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene", "names": [ "trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene", "trans-DMBA-5,6-dihydrodiol" ] }, { "compound_id": "C19608", "inchi": null, "name": "Ferritin", "names": [ "Ferritin" ] }, { "compound_id": "C19609", "inchi": "InChI=1S/Ni/q+2", "name": "Nickel(2+)", "names": [ "Ni(II)", "Ni2+", "Nickel(2+)" ] }, { "compound_id": "C19610", "inchi": "InChI=1S/Mn/q+2", "name": "Manganese(2+)", "names": [ "Manganese(2+)", "Mn(II)", "Mn2+" ] }, { "compound_id": "C19611", "inchi": "InChI=1S/Mn/q+3", "name": "Manganese(3+)", "names": [ "Manganese(3+)", "Mn(III)", "Mn3+" ] }, { "compound_id": "C19612", "inchi": "InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-5,7-12,14H,1-2H2/t3-,4-,5-,7-/m1/s1", "name": "Coriose", "names": [ "Coriose", "D-altro-3-Heptulose" ] }, { "compound_id": "C19613", "inchi": "InChI=1/C18H30O3/c1-6-15(11-12-16-18(4,7-2)21-16)10-8-9-14(3)13-17(19)20-5/h10,13,16H,6-9,11-12H2,1-5H3/b14-13+,15-10+/t16-,18+/m1/s1", "name": "Juvenile hormone I", "names": [ "Juvenile hormone I" ] }, { "compound_id": "C19614", "inchi": "InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h15H,1-14H2,(H,18,19)", "name": "16-Oxo-palmitate", "names": [ "16-Oxo-palmitate" ] }, { "compound_id": "C19615", "inchi": "InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)", "name": "Hexadecanedioate", "names": [ "Hexadecanedioate" ] }, { "compound_id": "C19616", "inchi": "InChI=1S/C18H34O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,19H,3-17H2,(H,20,21)/b2-1-", "name": "18-Hydroxyoleate", "names": [ "18-Hydroxyoleate" ] }, { "compound_id": "C19617", "inchi": "InChI=1S/C18H32O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,17H,3-16H2,(H,20,21)/b2-1-", "name": "18-Oxooleate", "names": [ "18-Oxooleate" ] }, { "compound_id": "C19618", "inchi": "InChI=1S/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2H,3-16H2,(H,19,20)(H,21,22)/b2-1-", "name": "Octadec-9-ene-1,18-dioic-acid", "names": [ "Octadec-9-ene-1,18-dioic-acid" ] }, { "compound_id": "C19619", "inchi": "InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7-/t15-/m1/s1", "name": "(+)-Germacrene D", "names": [ "(+)-Germacrene D" ] }, { "compound_id": "C19620", "inchi": "InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)", "name": "9,10-Epoxy-18-hydroxystearate", "names": [ "9,10-Epoxy-18-hydroxystearate" ] }, { "compound_id": "C19621", "inchi": "InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)", "name": "9,10,18-Trihydroxystearate", "names": [ "9,10,18-Trihydroxystearate" ] }, { "compound_id": "C19622", "inchi": "InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)", "name": "9,10-Dihydroxystearate", "names": [ "9,10-Dihydroxystearate" ] }, { "compound_id": "C19623", "inchi": "InChI=1S/C22H44O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h23H,1-21H2,(H,24,25)", "name": "22-Hydroxydocosanoate", "names": [ "22-Hydroxydocosanoate" ] }, { "compound_id": "C19624", "inchi": "InChI=1S/C22H42O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h21H,1-20H2,(H,24,25)", "name": "22-Oxo-docosanoate", "names": [ "22-Oxo-docosanoate" ] }, { "compound_id": "C19625", "inchi": "InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)", "name": "Docosanedioate", "names": [ "Docosanedioate" ] }, { "compound_id": "C19630", "inchi": null, "name": "Diketone", "names": [ "Diketone" ] }, { "compound_id": "C19631", "inchi": "InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)", "name": "6-Hydroxy-3-succinoylpyridine", "names": [ "6-Hydroxy-3-succinoylpyridine" ] }, { "compound_id": "C19632", "inchi": "InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5?,6-,7-,8-,9-,10+,11-,12+/m1/s1", "name": "Kojibiose", "names": [ "2-O-alpha-D-Glucopyranosyl-D-glucose", "Kojibiose" ] }, { "compound_id": "C19633", "inchi": "InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h5-15,17-21H,1-3H2/t5-,6-,7-,8-,9+,10-,11?,12-/m1/s1", "name": "Maltulose", "names": [ "4-O-alpha-D-Glucopyranosyl-D-fructose", "Maltulose" ] }, { "compound_id": "C19634", "inchi": "InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1", "name": "Melibiulose", "names": [ "6-O-alpha-D-Galactopyranosyl-D-fructose", "Melibiulose" ] }, { "compound_id": "C19635", "inchi": "InChI=1S/C12H22O10/c1-4(15)11(7(17)5(16)2-13)22-12-10(20)9(19)8(18)6(3-14)21-12/h2,4-12,14-20H,3H2,1H3/t4-,5-,6+,7-,8+,9-,10+,11?,12-/m0/s1", "name": "Scillabiose", "names": [ "6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose", "Scillabiose" ] }, { "compound_id": "C19636", "inchi": "InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11?,12-/m1/s1", "name": "Turanose", "names": [ "3-O-alpha-D-Glucopyranosyl-D-fructose", "D-Turanose", "Turanose" ] }, { "compound_id": "C19637", "inchi": "InChI=1S/C4H10O6S4/c5-13(6,7)3-1-11-12-2-4-14(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)", "name": "Coenzyme M", "names": [ "2,2'-Dithiodiethanesulfonic acid", "Coenzyme M" ] }, { "compound_id": "C19638", "inchi": "InChI=1S/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2/t12-,13+,14+,15-,16-,17+/m1/s1", "name": "5alpha-Gonane", "names": [ "5alpha-Gonane" ] }, { "compound_id": "C19639", "inchi": "InChI=1S/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2/t12?,13-,14-,15+,16+,17-/m0/s1", "name": "Gonane", "names": [ "18-Norestrane", "Gonane" ] }, { "compound_id": "C19640", "inchi": "InChI=1S/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2/t12-,13-,14-,15+,16+,17-/m0/s1", "name": "5beta-Gonane", "names": [ "5beta-Gonane" ] }, { "compound_id": "C19641", "inchi": "InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1", "name": "Estrane", "names": [ "19-Norandrostane", "Estrane" ] }, { "compound_id": "C19642", "inchi": "InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1", "name": "5beta-Cholanic acid", "names": [ "5beta-Cholanic acid", "Ursocholanic acid" ] }, { "compound_id": "C19643", "inchi": "InChI=1S/C24H32O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,13-14,17-20,25,27H,4-5,7-12H2,1-2H3/t17-,18+,19?,20?,22-,23+,24-/m0/s1", "name": "Scillarenin", "names": [ "3beta,14-Dihydroxy-14beta-bufa-4,20,22-trienolide", "Scillarenin" ] }, { "compound_id": "C19644", "inchi": "InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1", "name": "Stigmastanol", "names": [ "Stigmastanol", "beta-Sitostanol" ] }, { "compound_id": "C19645", "inchi": null, "name": "Acceptor", "names": [ "Acceptor", "Aglycon" ] }, { "compound_id": "C19646", "inchi": null, "name": "Acceptor beta-D-glucuronoside", "names": [ "Acceptor beta-D-glucuronoside" ] }, { "compound_id": "C19648", "inchi": "InChI=1S/C27H44O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-22,24-25,28-29H,5-15H2,1-4H3/t16-,18+,19+,20-,21+,22+,24+,25+,26+,27+/m1/s1", "name": "Pseudotigogenin", "names": [ "(25R)-5alpha-Furost-20(22)-ene-3beta,26-diol", "Pseudotigogenin" ] }, { "compound_id": "C19649", "inchi": "InChI=1S/C27H44O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-22,24-25,28-29H,5-15H2,1-4H3/t16-,18+,19-,20?,21-,22-,24-,25-,26-,27-/m0/s1", "name": "Pseudosarsasapogenin", "names": [ "(25S)-5beta-Furost-20(22)-ene-3beta,26-diol", "Pseudosarsasapogenin" ] }, { "compound_id": "C19650", "inchi": "InChI=1S/C27H44O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-22,24-25,28-29H,5-15H2,1-4H3/t16-,18-,19+,20-,21+,22+,24+,25+,26+,27+/m1/s1", "name": "Pseudosmilagenin", "names": [ "(25R)-5beta-Furost-20(22)-ene-3beta,26-diol", "Pseudosmilagenin" ] }, { "compound_id": "C19651", "inchi": "InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1", "name": "Ergostanol", "names": [ "(24S)-5alpha-Ergostan-3beta-ol", "Ergostanol" ] }, { "compound_id": "C19652", "inchi": "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,24+,26-,27-,28+/m0/s1", "name": "alpha-Ergostenol", "names": [ "5alpha-Ergosta-8(14)-ene-3beta-ol", "alpha-Ergostenol" ] }, { "compound_id": "C19653", "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26+,27+,28+/m0/s1", "name": "Lumisterol", "names": [ "9beta,10alpha-Ergosta-5,7,22-trien-3beta-ol", "Lumisterol" ] }, { "compound_id": "C19654", "inchi": "InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1", "name": "gamma-Sitosterol", "names": [ "22,23-Dihydroporiferasterol", "gamma-Sitosterol" ] }, { "compound_id": "C19655", "inchi": "InChI=1S/C30H50O/c1-18(2)20(4)30(7)17-27(30)19(3)24-10-11-25-23-9-8-21-16-22(31)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,31H,9-17H2,1-7H3/t19-,20+,22-,23-,24+,25-,26-,27+,28-,29+,30+/m0/s1", "name": "Gorgosterol", "names": [ "Gorgost-5-en-3beta-ol", "Gorgosterol" ] }, { "compound_id": "C19656", "inchi": "InChI=1S/C30H52O4/c1-16(2)18(4)27(5)14-23(27)17(3)21-8-9-22-20-12-25(33)30(34)13-19(31)10-11-29(30,7)26(20)24(32)15-28(21,22)6/h16-26,31-34H,8-15H2,1-7H3/t17-,18+,19-,20-,21+,22-,23+,24+,25+,26+,27+,28+,29+,30-/m0/s1", "name": "Sarcoaldesterol A", "names": [ "(3beta,5alpha,6beta,11alpha)-Gorgostane-3,5,6,11-tetrol", "Sarcoaldesterol A" ] }, { "compound_id": "C19657", "inchi": "InChI=1S/C30H50O/c1-18(2)20(4)30(7)17-27(30)19(3)24-10-11-25-23-9-8-21-16-22(31)12-14-28(21,5)26(23)13-15-29(24,25)6/h9,18-22,24-27,31H,8,10-17H2,1-7H3/t19-,20+,21-,22-,24+,25-,26-,27+,28-,29+,30+/m0/s1", "name": "Acanthasterol", "names": [ "(3beta,5alpha)-Gorgost-7-en-3-ol", "Acanthasterol" ] }, { "compound_id": "C19658", "inchi": "InChI=1S/C23H36O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h15-20H,3-14H2,1-2H3/t15-,16?,17-,18+,19+,20-,22-,23+/m0/s1", "name": "Cardanolide", "names": [ "Cardanolide" ] }, { "compound_id": "C19659", "inchi": "InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22+,23+,24-/m1/s1", "name": "5alpha-Cholane", "names": [ "5alpha-Cholane", "Allocholane" ] }, { "compound_id": "C19660", "inchi": "InChI=1S/C24H38O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h16-21H,3-15H2,1-2H3/t16-,17?,18-,19+,20+,21-,23-,24+/m0/s1", "name": "Bufanolide", "names": [ "Bufanolide" ] }, { "compound_id": "C19661", "inchi": "InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1", "name": "Cholestane", "names": [ "Cholestane" ] }, { "compound_id": "C19662", "inchi": "InChI=1S/C27H44O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h17-24H,5-16H2,1-4H3/t17?,18-,19?,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1", "name": "Spirostan", "names": [ "Spirostan" ] }, { "compound_id": "C19663", "inchi": "InChI=1S/C27H46O/c1-17(2)9-12-23-18(3)25-24(28-23)16-22-20-11-10-19-8-6-7-14-26(19,4)21(20)13-15-27(22,25)5/h17-25H,6-16H2,1-5H3/t18-,19?,20-,21+,22+,23?,24+,25+,26+,27+/m1/s1", "name": "Furostan", "names": [ "Furostan" ] }, { "compound_id": "C19664", "inchi": "InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21+,22?,23-,24+,25-,26-,27-,28+/m0/s1", "name": "Ergostane", "names": [ "Ergostane" ] }, { "compound_id": "C19665", "inchi": "InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21-,22-,23+,24-,25+,26+,27+,28-/m1/s1", "name": "5alpha-Campestane", "names": [ "(24R)-24-Methyl-5alpha-cholestane", "5alpha-Campestane" ] }, { "compound_id": "C19666", "inchi": "InChI=1S/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22-,23?,24+,25-,26+,27+,28+,29-/m1/s1", "name": "Stigmastane", "names": [ "Stigmastane" ] }, { "compound_id": "C19667", "inchi": "InChI=1S/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22+,23-,24+,25-,26+,27+,28+,29-/m1/s1", "name": "5alpha-Poriferastane", "names": [ "5alpha-Poriferastane" ] }, { "compound_id": "C19668", "inchi": "InChI=1S/C30H52/c1-19(2)21(4)30(7)18-27(30)20(3)24-13-14-25-23-12-11-22-10-8-9-16-28(22,5)26(23)15-17-29(24,25)6/h19-27H,8-18H2,1-7H3/t20-,21+,22?,23-,24+,25-,26-,27+,28-,29+,30+/m0/s1", "name": "Gorgostane", "names": [ "Gorgostane" ] }, { "compound_id": "C19669", "inchi": "InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2", "name": "Thermospermine", "names": [ "Thermospermine" ] }, { "compound_id": "C19670", "inchi": "InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-", "name": "Oleamide", "names": [ "(Z)-9-Octadecenamide", "Oleamide", "Oleyl amide" ] }, { "compound_id": "C19671", "inchi": null, "name": "Amicyanin", "names": [ "Amicyanin" ] }, { "compound_id": "C19672", "inchi": null, "name": "Reduced amicyanin", "names": [ "Reduced amicyanin" ] }, { "compound_id": "C19673", "inchi": "InChI=1S/C25H40N7O19P3S/c1-25(2,20(37)23(38)28-5-4-14(33)27-6-7-55-16(35)8-15(34)46-3)10-48-54(44,45)51-53(42,43)47-9-13-19(50-52(39,40)41)18(36)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,36-37H,4-10H2,1-3H3,(H,27,33)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,18-,19-,20?,24-/m1/s1", "name": "Malonyl-CoA methyl ester", "names": [ "Malonyl-CoA methyl ester" ] }, { "compound_id": "C19674", "inchi": "InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-/m1/s1", "name": "D-Arabinitol 1-phosphate", "names": [ "D-Arabinitol 1-phosphate", "D-Arabitol 1-phosphate" ] }, { "compound_id": "C19675", "inchi": "InChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/t3-/m1/s1", "name": "(R)-2,3-Dihydroxypropane-1-sulfonate", "names": [ "(R)-2,3-Dihydroxypropane-1-sulfonate" ] }, { "compound_id": "C19676", "inchi": "InChI=1S/C15H24O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,15-16H,3-4,6-7,9-11H2,1-2H3/b12-5-,13-8+/t15-/m1/s1", "name": "Germacra-1(10),4,11(13)-trien-12-ol", "names": [ "Germacra-1(10),4,11(13)-trien-12-ol" ] }, { "compound_id": "C19677", "inchi": "InChI=1S/C15H22O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,11,15H,3-4,6-7,9-10H2,1-2H3/b12-5-,13-8+/t15-/m1/s1", "name": "Germacra-1(10),4,11(13)-trien-12-al", "names": [ "Germacra-1(10),4,11(13)-trien-12-al" ] }, { "compound_id": "C19678", "inchi": "InChI=1S/C15H22O2/c1-11-5-4-6-12(2)8-10-14(9-7-11)13(3)15(16)17/h5,8,14H,3-4,6-7,9-10H2,1-2H3,(H,16,17)/b11-5-,12-8+/t14-/m1/s1", "name": "Germacrene A acid", "names": [ "Germacra-1(10),4,11(13)-trien-12-oate", "Germacrene A acid" ] }, { "compound_id": "C19679", "inchi": "InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2/t4-,5+,6+/m0/s1", "name": "L-Sorbosone", "names": [ "1-Dehydro-L-sorbose", "L-Sorbosone" ] }, { "compound_id": "C19680", "inchi": "InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3", "name": "N,N-Dimethyl-4-nitrosoaniline", "names": [ "Accelerine", "N,N-Dimethyl-4-nitrosoaniline" ] }, { "compound_id": "C19681", "inchi": "InChI=1S/C8H12N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6,9,11H,1-2H3", "name": "4-(Hydroxylamino)-N,N-dimethylaniline", "names": [ "4-(Dimethylamino)-N-hydroxyaniline", "4-(Hydroxylamino)-N,N-dimethylaniline" ] }, { "compound_id": "C19682", "inchi": "InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h3-4,13-15,20-22,26,39-40H,5-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b4-3-/t15-,20-,21-,22?,26-/m1/s1", "name": "3,4-Didehydroadipyl-CoA", "names": [ "3,4-Didehydroadipyl-CoA", "cis-3,4-Dehydroadipyl-CoA" ] }, { "compound_id": "C19683", "inchi": "InChI=1S/C27H42N7O18P3S/c1-27(2,22(39)25(40)30-8-7-17(36)29-9-11-56-18(37)6-4-3-5-10-35)13-49-55(46,47)52-54(44,45)48-12-16-21(51-53(41,42)43)20(38)26(50-16)34-15-33-19-23(28)31-14-32-24(19)34/h3-4,10,14-16,20-22,26,38-39H,5-9,11-13H2,1-2H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/b4-3-/t16-,20-,21-,22?,26-/m1/s1", "name": "3,4-Didehydroadipyl-CoA semialdehyde", "names": [ "3,4-Didehydroadipyl-CoA semialdehyde", "cis-3,4-Dehydroadipyl-CoA semialdehyde" ] }, { "compound_id": "C19684", "inchi": "InChI=1S/C28H42N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(37)30-8-9-58-27(42)14-4-3-5-15(36)19(14)38)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-18-23(29)32-12-33-24(18)35/h3-5,12-13,15-16,19-22,26,36,38-40H,6-11H2,1-2H3,(H,30,37)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t15?,16-,19?,20-,21-,22?,26-/m1/s1", "name": "2,3-Dihydro-2,3-dihydroxybenzoyl-CoA", "names": [ "2,3-Dihydro-2,3-dihydroxybenzoyl-CoA" ] }, { "compound_id": "C19685", "inchi": "InChI=1S/C23H38N7O20P3S2/c1-23(2,18(34)21(35)26-4-3-13(31)25-5-6-54-14(32)8-55(43,44)45)9-47-53(41,42)50-52(39,40)46-7-12-17(49-51(36,37)38)16(33)22(48-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,33-34H,3-9H2,1-2H3,(H,25,31)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)(H,43,44,45)/t12-,16-,17-,18?,22-/m1/s1", "name": "Sulfoacetyl-CoA", "names": [ "Sulfoacetyl-CoA" ] }, { "compound_id": "C19686", "inchi": "InChI=1S/C10H9NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4H,1,11H2,(H,12,13)(H,14,15)", "name": "3-(1-Carboxyvinyloxy)anthranilate", "names": [ "2-Amino-3-[(1-carboxyethenyl)oxy]benzoate", "3-(1-Carboxyvinyloxy)anthranilate" ] }, { "compound_id": "C19687", "inchi": "InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1", "name": "7-Chloro-L-tryptophan", "names": [ "7-Chloro-L-tryptophan" ] }, { "compound_id": "C19688", "inchi": "InChI=1S/C11H9ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,13-14H,4H2,(H,15,16)", "name": "2-Imino-3-(7-chloroindol-3-yl)propanoate", "names": [ "2-Imino-3-(7-chloroindol-3-yl)propanoate", "7-Chlorodehydrotryptophan" ] }, { "compound_id": "C19689", "inchi": "InChI=1S/C10H18N4O5S/c11-5(10(18)19)1-2-8(16)14-6(4-20)9(17)13-3-7(12)15/h5-6,20H,1-4,11H2,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t5-,6-/m0/s1", "name": "Glutathione amide", "names": [ "Glutathione amide", "L-gamma-Glutamyl-L-cysteinylglycinamide" ] }, { "compound_id": "C19690", "inchi": "InChI=1S/C20H34N8O10S2/c21-9(19(35)36)1-3-15(31)27-11(17(33)25-5-13(23)29)7-39-40-8-12(18(34)26-6-14(24)30)28-16(32)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H2,23,29)(H2,24,30)(H,25,33)(H,26,34)(H,27,31)(H,28,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1", "name": "Glutathione amide disulfide", "names": [ "Glutathione amide disulfide" ] }, { "compound_id": "C19691", "inchi": "InChI=1S/C18H31NO2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(19)18(20)21/h7,9,11,17H,5-6,8,10,12-13,19H2,1-4H3,(H,20,21)/b15-9+,16-11+/t17-/m0/s1", "name": "Farnesylcysteine", "names": [ "Farnesylcysteine", "S-(2E,6E)-Farnesyl-L-cysteine", "S-trans-trans-Farnesylcysteine" ] }, { "compound_id": "C19692", "inchi": null, "name": "Polysulfide", "names": [ "Polysulfide" ] }, { "compound_id": "C19693", "inchi": "InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)", "name": "Reactive Blue 5", "names": [ "Reactive Blue 5" ] }, { "compound_id": "C19694", "inchi": "InChI=1S/C6H11NO4/c1-3(7)6(10)11-4(2)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4-/m1/s1", "name": "D-Alanyl-(R)-lactate", "names": [ "(2R)-2-(D-Alanyloxy)propanoic acid", "(R)-2-[(R)-2-Aminopropanoyloxy]propanoic acid", "D-Alanyl-(R)-lactate", "D-Alanyl-D-lactate" ] }, { "compound_id": "C19695", "inchi": "InChI=1S/C39H66N8O20/c1-15(32(55)43-17(3)36(59)60)42-35(58)21(9-7-8-12-40)46-25(52)11-10-22(37(61)62)47-33(56)16(2)41-34(57)18(4)64-31-27(45-20(6)51)38(63)65-24(14-49)30(31)67-39-26(44-19(5)50)29(54)28(53)23(13-48)66-39/h15-18,21-24,26-31,38-39,48-49,53-54,63H,7-14,40H2,1-6H3,(H,41,57)(H,42,58)(H,43,55)(H,44,50)(H,45,51)(H,46,52)(H,47,56)(H,59,60)(H,61,62)/t15-,16+,17-,18-,21+,22-,23-,24-,26-,27-,28-,29-,30?,31-,38?,39?/m1/s1", "name": "[beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n", "names": [ "[beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n" ] }, { "compound_id": "C19696", "inchi": "InChI=1S/C43H71N9O23/c1-16(35(61)48-18(3)39(65)66)47-38(64)23(9-7-8-12-45-28(58)13-22(44)40(67)68)51-27(57)11-10-24(41(69)70)52-36(62)17(2)46-37(63)19(4)72-34-30(50-21(6)56)42(71)73-26(15-54)33(34)75-43-29(49-20(5)55)32(60)31(59)25(14-53)74-43/h16-19,22-26,29-34,42-43,53-54,59-60,71H,7-15,44H2,1-6H3,(H,45,58)(H,46,63)(H,47,64)(H,48,61)(H,49,55)(H,50,56)(H,51,57)(H,52,62)(H,65,66)(H,67,68)(H,69,70)/t16-,17+,18-,19-,22-,23+,24-,25-,26-,29-,30-,31-,32-,33?,34-,42?,43?/m1/s1", "name": "[beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-6-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n", "names": [ "[beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-6-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n" ] }, { "compound_id": "C19697", "inchi": "InChI=1S/ClHO/c1-2/h2H", "name": "Hypochlorous acid", "names": [ "Hypochlorous acid" ] }, { "compound_id": "C19698", "inchi": "InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31)", "name": "3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate", "names": [ "3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate", "Dichlorochromopyrrolate" ] }, { "compound_id": "C19699", "inchi": "InChI=1S/C20H9Cl2N3O2/c21-9-5-1-3-7-11-13-14(20(27)25-19(13)26)12-8-4-2-6-10(22)16(8)24-18(12)17(11)23-15(7)9/h1-6,23-24H,(H,25,26,27)", "name": "Dichloroarcyriaflavin A", "names": [ "Dichloroarcyriaflavin A", "Rebeccamycin aglycon" ] }, { "compound_id": "C19700", "inchi": "InChI=1S/C26H19Cl2N3O7/c27-10-5-1-3-8-13-15-16(25(37)30-24(15)36)14-9-4-2-6-11(28)19(9)31(20(14)18(13)29-17(8)10)26-23(35)22(34)21(33)12(7-32)38-26/h1-6,12,21-23,26,29,32-35H,7H2,(H,30,36,37)/t12-,21-,22+,23-,26-/m1/s1", "name": "4'-O-Demethylrebeccamycin", "names": [ "4'-O-Demethylrebeccamycin" ] }, { "compound_id": "C19701", "inchi": "InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1", "name": "Rebeccamycin", "names": [ "Rebeccamycin" ] }, { "compound_id": "C19702", "inchi": "InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8+,9-,10-,11?,12?/m1/s1", "name": "1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol", "names": [ "1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol" ] }, { "compound_id": "C19703", "inchi": "InChI=1S/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/t3-,4+,5+,6+,7+,8-,9-,10+,11+,12+,13?,15?/m0/s1", "name": "1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol", "names": [ "1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol", "Desacetylmycothiol" ] }, { "compound_id": "C19704", "inchi": "InChI=1S/C33H40N4O6/c1-7-18-14(3)22(12-25-19(8-2)16(5)32(41)36-25)34-24(18)13-23-17(6)28-26(38)11-21(31(28)35-23)30-20(9-10-27(39)40)15(4)29(37-30)33(42)43/h8,15,20,25,29,34-35,37H,2,7,9-13H2,1,3-6H3,(H,36,41)(H,39,40)(H,42,43)/b30-21-/t15-,20-,25?,29-/m0/s1", "name": "Dinoflagellate luciferin", "names": [ "Dinoflagellate luciferin" ] }, { "compound_id": "C19705", "inchi": "InChI=1S/C33H38N4O7/c1-7-17-13(3)20(11-23-18(8-2)15(5)32(42)36-23)34-22(17)12-21-16(6)25-29(35-21)26(31(41)30(25)40)28-19(9-10-24(38)39)14(4)27(37-28)33(43)44/h8,14,19,23,27,34-35,37H,2,7,9-12H2,1,3-6H3,(H,36,42)(H,38,39)(H,43,44)/b28-26+/t14-,19-,23?,27-/m0/s1", "name": "Oxidized dinoflagellate luciferin", "names": [ "Oxidized dinoflagellate luciferin" ] }, { "compound_id": "C19706", "inchi": "InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1", "name": "cis-3-Hydroxy-L-proline", "names": [ "cis-3-Hydroxy-L-proline", "cis-3-Hydroxyproline" ] }, { "compound_id": "C19707", "inchi": "InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m0/s1", "name": "(+)-Columbianetin", "names": [ "(+)-Columbianetin" ] }, { "compound_id": "C19708", "inchi": "InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15-/m1/s1", "name": "5-Epiaristolochene", "names": [ "(+)-5-Epiaristolochene", "(+)-5-epi-Aristolochene", "5-Epiaristolochene", "5-epi-Aristolochene" ] }, { "compound_id": "C19709", "inchi": "", "name": "[L-Asp(4-L-Arg)]n", "names": [ "[L-Asp(4-L-Arg)]n" ] }, { "compound_id": "C19710", "inchi": "", "name": "[L-Asp(4-L-Arg)]n-L-Asp", "names": [ "[L-Asp(4-L-Arg)]n-L-Asp" ] }, { "compound_id": "C19711", "inchi": "InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-14,16H,1,5-6,8-9H2,2-4H3/t12-,13-,14-,15-/m1/s1", "name": "Solavetivol", "names": [ "Solavetivol" ] }, { "compound_id": "C19712", "inchi": "InChI=1S/C9H11NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,8,10,13H,6H2,(H,11,12)/t8-/m0/s1", "name": "N-Hydroxy-L-phenylalanine", "names": [ "2-(Hydroxyamino)-3-phenylpropanoate", "N-Hydroxy-L-phenylalanine" ] }, { "compound_id": "C19713", "inchi": "", "name": "[L-Asp(4-L-Arg)]n+1", "names": [ "[L-Asp(4-L-Arg)]n+1" ] }, { "compound_id": "C19714", "inchi": "InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7+", "name": "(E)-Phenylacetaldoxime", "names": [ "(E)-Phenylacetaldehyde oxime", "(E)-Phenylacetaldoxime" ] }, { "compound_id": "C19715", "inchi": "InChI=1S/C9H11NO4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8,13-14H,6H2,(H,11,12)/t8-/m0/s1", "name": "N,N-Dihydroxy-L-phenylalanine", "names": [ "N,N-Dihydroxy-L-phenylalanine" ] }, { "compound_id": "C19716", "inchi": "InChI=1S/C11H12N2O3/c14-11(15)10(13-16)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13,16H,5H2,(H,14,15)/t10-/m0/s1", "name": "N-Hydroxy-L-tryptophan", "names": [ "N-Hydroxy-L-tryptophan" ] }, { "compound_id": "C19717", "inchi": "InChI=1S/C11H12N2O4/c14-11(15)10(13(16)17)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12,16-17H,5H2,(H,14,15)/t10-/m0/s1", "name": "N,N-Dihydroxy-L-tryptophan", "names": [ "N,N-Dihydroxy-L-tryptophan" ] }, { "compound_id": "C19718", "inchi": "InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2/b12-6+", "name": "(E)-Indol-3-ylacetaldoxime", "names": [ "(E)-Indol-3-ylacetaldoxime", "(E)-Indole-3-acetaldehyde oxime" ] }, { "compound_id": "C19719", "inchi": "InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m1/s1", "name": "D-Alanyl-D-serine", "names": [ "D-Alanyl-D-serine" ] }, { "compound_id": "C19720", "inchi": "InChI=1S/C34H55N7O24P2/c1-14(28(49)39-18(32(53)54)7-8-21(44)38-17(31(51)52)6-4-5-10-35)36-29(50)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)47)64-67(58,59)65-66(56,57)60-13-20-24(46)26(48)30(62-20)41-11-9-22(45)40-34(41)55/h9,11,14-15,17-20,23-27,30,33,42,46-48H,4-8,10,12-13,35H2,1-3H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H,40,45,55)/t14-,15+,17+,18+,19+,20+,23+,24+,25+,26+,27+,30+,33+/m0/s1", "name": "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-D-lysine", "names": [ "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-D-lysine" ] }, { "compound_id": "C19721", "inchi": "InChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-2,6-7H,(H,8,9)", "name": "5-Hydroxypyrrole-2-carboxylate", "names": [ "5-Hydroxypyrrole-2-carboxylate" ] }, { "compound_id": "C19722", "inchi": null, "name": "[tRNA(Ile2)]-cytidine34", "names": [ "[tRNA(Ile2)]-cytidine34" ] }, { "compound_id": "C19723", "inchi": null, "name": "[tRNA(Ile2)]-lysidine34", "names": [ "[tRNA(Ile2)]-lysidine34" ] }, { "compound_id": "C19724", "inchi": "InChI=1S/C45H61N5O13.Co/c1-21-36-24(10-13-31(54)55)41(3,4)28(48-36)18-27-23(9-12-30(52)53)43(6,19-29(46)51)39(47-27)22(2)37-25(11-14-32(56)57)44(7,20-35(62)63)45(8,50-37)40-26(17-34(60)61)42(5,38(21)49-40)16-15-33(58)59;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H9,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1", "name": "Cobyrinate c-monamide", "names": [ "Cobyrinate c-monamide", "Cobyrinic acid c-monoamide" ] }, { "compound_id": "C19725", "inchi": "InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11-,12-,13+,14-,15+,16-,18-/m1/s1", "name": "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronate", "names": [ "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronate", "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronic acid", "UDP-alpha-D-GlcNAc3NAcA" ] }, { "compound_id": "C19726", "inchi": "InChI=1S/C21H30O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19-,20+,21-/m1/s1", "name": "15beta-Hydroxyprogesterone", "names": [ "15beta-Hydroxypregn-4-ene-3,20-dione", "15beta-Hydroxyprogesterone" ] }, { "compound_id": "C19727", "inchi": "InChI=1S/C16H10O6/c17-9-4-11(18)15-14(5-9)20-6-10(16(15)19)8-1-2-12-13(3-8)22-7-21-12/h1-6,17-18H,7H2", "name": "5-Hydroxypseudobaptigenin", "names": [ "5,7-Dihydroxy-3',4'-methylenedioxyisoflavone", "5-Hydroxypseudobaptigenin" ] }, { "compound_id": "C19728", "inchi": "InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+", "name": "all-trans-8'-Apo-beta-carotenal", "names": [ "8'-Apo-beta-carotenal", "all-trans-8'-Apo-beta-carotenal" ] }, { "compound_id": "C19729", "inchi": "InChI=1S/C10H12O2/c1-9(6-7-11)4-3-5-10(2)8-12/h3-8H,1-2H3/b4-3+,9-6+,10-5+", "name": "(2E,4E,6E)-2,6-Dimethylocta-2,4,6-trienedial", "names": [ "(2E,4E,6E)-2,6-Dimethylocta-2,4,6-trienedial" ] }, { "compound_id": "C19730", "inchi": "InChI=1S/C20H24O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16H,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+", "name": "Crocetin dialdehyde", "names": [ "Crocetin dialdehyde" ] }, { "compound_id": "C19731", "inchi": "InChI=1S/C10H16O2/c1-7-4-8(12)5-10(2,3)9(7)6-11/h6,8,12H,4-5H2,1-3H3/t8-/m1/s1", "name": "(3S)-3-Hydroxycyclocitral", "names": [ "(3S)-3-Hydroxycyclocitral" ] }, { "compound_id": "C19732", "inchi": "InChI=1S/C30H50O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1", "name": "24-Hydroxy-beta-amyrin", "names": [ "24-Hydroxy-beta-amyrin", "Olean-12-ene-3beta,24-diol" ] }, { "compound_id": "C19733", "inchi": "InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24+,27+,28-,29+,30+/m0/s1", "name": "Sophoradiol", "names": [ "Olean-12-ene-3beta,22beta-diol", "Sophoradiol" ] }, { "compound_id": "C19734", "inchi": "InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1", "name": "(-)-alpha-Gurjunene", "names": [ "(-)-alpha-Gurjunene" ] }, { "compound_id": "C19735", "inchi": "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1", "name": "(-)-endo-alpha-Bergamotene", "names": [ "(-)-endo-alpha-Bergamotene" ] }, { "compound_id": "C19736", "inchi": "InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13?,14+,15?/m0/s1", "name": "(+)-alpha-Santalene", "names": [ "(+)-alpha-Santalene" ] }, { "compound_id": "C19737", "inchi": "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15-/m0/s1", "name": "(+)-endo-beta-Bergamotene", "names": [ "(+)-endo-beta-Bergamotene" ] }, { "compound_id": "C19738", "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1", "name": "(-)-gamma-Cadinene", "names": [ "(-)-gamma-Cadinene" ] }, { "compound_id": "C19739", "inchi": "InChI=1S/C16H12O7/c1-22-14-3-7(2-11(20)16(14)21)12-6-10(19)15-9(18)4-8(17)5-13(15)23-12/h2-6,17-18,20-21H,1H3", "name": "3'-O-Methyltricetin", "names": [ "3'-O-Methyltricetin", "Selagin", "Tricetin 3'-methyl ether" ] }, { "compound_id": "C19740", "inchi": "InChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,12H,5,7-10H2,1-4H3/t12?,13-,14+,15-/m1/s1", "name": "(+)-alpha-Barbatene", "names": [ "(+)-alpha-Barbatene" ] }, { "compound_id": "C19741", "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13+,15+/m0/s1", "name": "(+)-Cubenene", "names": [ "(+)-Cubenene" ] }, { "compound_id": "C19742", "inchi": "InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11H,5-9H2,1-4H3/t15-/m1/s1", "name": "(+)-delta-Selinene", "names": [ "(+)-delta-Selinene" ] }, { "compound_id": "C19743", "inchi": "InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1", "name": "Drimenol", "names": [ "Drimenol" ] }, { "compound_id": "C19744", "inchi": "InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m0/s1", "name": "(+)-Epicubenol", "names": [ "(+)-Epicubenol" ] }, { "compound_id": "C19745", "inchi": "InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11+,12-,13+,14-,15+,16-,18-/m1/s1", "name": "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronate", "names": [ "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronate", "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronic acid", "UDP-alpha-D-ManNAc3NAcA" ] }, { "compound_id": "C19746", "inchi": "InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1", "name": "(3R,6E)-Nerolidol", "names": [ "(3R,6E)-Nerolidol" ] }, { "compound_id": "C19747", "inchi": "InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,11-12H,5,7-8,10H2,1-4H3/b13-6-,14-9+,15-11+", "name": "Germacrene C", "names": [ "Germacrene C" ] }, { "compound_id": "C19748", "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-", "name": "(E)-gamma-Bisabolene", "names": [ "(E)-gamma-Bisabolene" ] }, { "compound_id": "C19749", "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+", "name": "(E)-alpha-Bisabolene", "names": [ "(E)-alpha-Bisabolene" ] }, { "compound_id": "C19750", "inchi": "InChI=1S/C12H10O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8,13-14H", "name": "3,5-Dihydroxybiphenyl", "names": [ "3,5-Biphenyldiol", "3,5-Dihydroxybiphenyl", "5-Phenylresorcinol" ] }, { "compound_id": "C19751", "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1", "name": "(S)-beta-Bisabolene", "names": [ "(S)-beta-Bisabolene" ] }, { "compound_id": "C19752", "inchi": "InChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h5-6,13H,4,7-11H2,1-3H3/t13-/m1/s1", "name": "(S)-beta-Macrocarpene", "names": [ "(S)-beta-Macrocarpene" ] }, { "compound_id": "C19753", "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,9-10,12-14H,6-8H2,1-4H3/t12-,13-,14+/m0/s1", "name": "cis-Muurola-3,5-diene", "names": [ "cis-Muurola-3,5-diene" ] }, { "compound_id": "C19754", "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13-,14+/m0/s1", "name": "cis-Muurola-4(14),5-diene", "names": [ "cis-Muurola-4(14),5-diene" ] }, { "compound_id": "C19755", "inchi": "InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14?,15+/m0/s1", "name": "Patchoulol", "names": [ "Patchoulol" ] }, { "compound_id": "C19756", "inchi": "InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)9-14(4)8-7-11(10)15(12,14)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14+,15-/m1/s1", "name": "Presilphiperfolan-8beta-ol", "names": [ "Presilphiperfolan-8beta-ol" ] }, { "compound_id": "C19757", "inchi": "InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-", "name": "(Z)-3-Hexen-1-ol acetate", "names": [ "(3Z)-Hex-3-en-1-yl acetate", "(Z)-3-Hexen-1-ol acetate", "cis-3-Hexenyl acetate" ] }, { "compound_id": "C19758", "inchi": "InChI=1S/C12H22O10/c1-3-10(7(16)8(17)11(19)20-3)22-12-9(18)6(15)5(14)4(2-13)21-12/h3-19H,2H2,1H3/t3-,4+,5-,6-,7-,8+,9+,10-,11?,12-/m0/s1", "name": "beta-D-Galactosyl-(1->4)-L-rhamnose", "names": [ "beta-D-Galactosyl-(1->4)-L-rhamnose" ] }, { "compound_id": "C19759", "inchi": "InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17-,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-", "name": "7,9,9'-tricis-Neurosporene", "names": [ "7,9,9'-tri-cis-Neurosporene", "7,9,9'-tricis-Neurosporene" ] }, { "compound_id": "C19760", "inchi": "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-", "name": "(2Z,6Z)-Farnesyl diphosphate", "names": [ "(2Z,6Z)-Farnesyl diphosphate" ] }, { "compound_id": "C19761", "inchi": "InChI=1S/C14H26NO14P/c1-3(17)15-5-7(19)6(18)4(2-16)27-14(5)28-12-9(21)8(20)10(22)13(11(12)23)29-30(24,25)26/h4-14,16,18-23H,2H2,1H3,(H,15,17)(H2,24,25,26)/t4-,5-,6-,7-,8-,9-,10+,11+,12?,13-,14?/m1/s1", "name": "1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate", "names": [ "1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate" ] }, { "compound_id": "C19762", "inchi": "InChI=1S/C27H28O17/c28-7-16-17(33)19(35)24(44-26-21(37)18(34)20(36)23(43-26)25(38)39)27(42-16)41-15-6-10-12(31)4-9(29)5-14(10)40-22(15)8-1-2-11(30)13(32)3-8/h1-6,16-21,23-24,26-28,33-37H,7H2,(H4-,29,30,31,32,38,39)/p+1/t16-,17-,18+,19+,20+,21-,23+,24?,26?,27-/m1/s1", "name": "Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside", "names": [ "Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside" ] }, { "compound_id": "C19763", "inchi": "InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22+,23+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1", "name": "Soyasapogenol B 3-O-D-glucuronide", "names": [ "Soyasapogenol B 3-O-D-glucuronide" ] }, { "compound_id": "C19764", "inchi": "InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11-,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-", "name": "9,15,9'-tricis-zeta-Carotene", "names": [ "9,15,9'-tricis-zeta-Carotene" ] }, { "compound_id": "C19765", "inchi": "InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-", "name": "15,9'-dicis-Phytofluene", "names": [ "15,9'-dicis-Phytofluene" ] }, { "compound_id": "C19766", "inchi": "InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1", "name": "5'-Deoxy-5'-fluoroadenosine", "names": [ "5'-Deoxy-5'-fluoroadenosine" ] }, { "compound_id": "C19767", "inchi": "InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-13-12(9-18-15(11)13)8-14(17)16(19)20/h3-6,9,14,18H,7-8,17H2,1-2H3,(H,19,20)/t14-/m0/s1", "name": "7-(3-Methylbut-2-enyl)-L-tryptophan", "names": [ "7-(3-Methylbut-2-enyl)-L-tryptophan" ] }, { "compound_id": "C19768", "inchi": "InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1", "name": "5-Deoxy-5-chloroadenosine", "names": [ "5-Deoxy-5-chloroadenosine" ] }, { "compound_id": "C19769", "inchi": "InChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4?,6-,7-,8-,9-,11-/m1/s1", "name": "1,6-Anhydro-N-acetyl-beta-muramate", "names": [ "1,6-Anhydro-N-acetyl-beta-muramate" ] }, { "compound_id": "C19770", "inchi": "InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4?,6-,7-,8-,9-,11-/m1/s1", "name": "N-Acetyl-beta-muramate 6-phosphate", "names": [ "N-Acetyl-beta-muramate 6-phosphate" ] }, { "compound_id": "C19771", "inchi": "InChI=1S/C26H46N7O26P5S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-65)9-53-63(47,48)58-61(43,44)52-8-13-17(36)19(24(54-13)33-11-32-15-21(27)30-10-31-22(15)33)56-25-18(37)16(35)12(55-25)7-51-62(45,46)59-64(49,50)57-60(40,41)42/h10-13,16-20,24-25,35-38,65H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,27,30,31)(H2,40,41,42)/t12-,13-,16-,17-,18-,19-,20?,24-,25?/m1/s1", "name": "2'-(5-Triphosphoribosyl)-3'-dephospho-CoA", "names": [ "2'-(5-Triphosphoribosyl)-3'-dephospho-CoA" ] }, { "compound_id": "C19772", "inchi": "InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)(H,68,69)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58-,59+,60-,61-/m1/s1", "name": "alpha-D-Glucopyranosyl-diphospho-ditrans,octacis-undecaprenol", "names": [ "alpha-D-Glucopyranosyl-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C19773", "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10?,11+,12?/m1/s1", "name": "3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose", "names": [ "3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose" ] }, { "compound_id": "C19774", "inchi": "InChI=1S/C17H31O18P/c18-1-5-9(22)14(13(26)15(27)32-5)34-17-12(25)10(23)8(21)6(33-17)3-31-36(28,29)35-16-11(24)7(20)4(19)2-30-16/h4-27H,1-3H2,(H,28,29)/t4-,5-,6-,7+,8-,9-,10+,11-,12+,13+,14?,15+,16-,17?/m1/s1", "name": "3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose", "names": [ "3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose" ] }, { "compound_id": "C19775", "inchi": "InChI=1S/C23H37FN7O17P3S/c1-23(2,18(35)21(36)27-4-3-13(32)26-5-6-52-14(33)7-24)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)31-11-30-15-19(25)28-10-29-20(15)31/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t12-,16-,17-,18?,22-/m1/s1", "name": "Fluoroacetyl-CoA", "names": [ "Fluoroacetyl-CoA", "Fluoroacetyl-coenzyme A" ] }, { "compound_id": "C19776", "inchi": null, "name": "1,2-Diacyl-sn-glycerol 3-diphosphate", "names": [ "1,2-Diacyl-sn-glycerol 3-diphosphate" ] }, { "compound_id": "C19777", "inchi": "InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1", "name": "L-Homoserine lactone", "names": [ "L-Homoserine lactone" ] }, { "compound_id": "C19778", "inchi": "InChI=1S/C5H11N3O/c6-5(9)4-3-7-1-2-8-4/h4,7-8H,1-3H2,(H2,6,9)/t4-/m1/s1", "name": "(R)-Piperazine-2-carboxamide", "names": [ "(R)-Piperazine-2-carboxamide" ] }, { "compound_id": "C19779", "inchi": "InChI=1S/C3H8N2O/c4-2-1-3(5)6/h1-2,4H2,(H2,5,6)", "name": "beta-Alaninamide", "names": [ "3-Aminopropionamide", "beta-Alaninamide", "beta-Alanine amide" ] }, { "compound_id": "C19780", "inchi": "InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m1/s1", "name": "(R)-Piperazine-2-carboxylic acid", "names": [ "(R)-2-Piperazinecarboxylate", "(R)-Piperazine-2-carboxylic acid" ] }, { "compound_id": "C19781", "inchi": "InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1", "name": "L-Prolinamide", "names": [ "(S)-Pyrrolidine-2-carboxamide", "L-Prolinamide" ] }, { "compound_id": "C19782", "inchi": "InChI=1S/C5H11N3O/c6-5(9)4-3-7-1-2-8-4/h4,7-8H,1-3H2,(H2,6,9)/t4-/m0/s1", "name": "(S)-Piperazine-2-carboxamide", "names": [ "(S)-Piperazine-2-carboxamide" ] }, { "compound_id": "C19783", "inchi": "InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1", "name": "(S)-Piperazine-2-carboxylic acid", "names": [ "(S)-2-Piperazinecarboxylate", "(S)-Piperazine-2-carboxylic acid" ] }, { "compound_id": "C19784", "inchi": "InChI=1S/C14H25NO11/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)26-13-11(23)9(21)8(20)10(22)12(13)24/h4-14,16,18-24H,2H2,1H3,(H,15,17)/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13?,14?/m1/s1", "name": "1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol", "names": [ "1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol", "1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol" ] }, { "compound_id": "C19785", "inchi": "InChI=1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,17+/m0/s1", "name": "Streptothricin F", "names": [ "Racemomycin A", "Streptothricin F" ] }, { "compound_id": "C19786", "inchi": "InChI=1S/C19H36N8O9/c20-3-1-2-7(22)4-10(30)24-13-14(31)15(36-18(23)34)9(6-28)35-16(13)27-19-25-11(8(29)5-21)12(26-19)17(32)33/h7-9,11-16,28-29,31H,1-6,20-22H2,(H2,23,34)(H,24,30)(H,32,33)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,16+/m0/s1", "name": "streptothricin F acid", "names": [ "streptothricin F acid" ] }, { "compound_id": "C19787", "inchi": "InChI=1S/C11H14N4O4S/c1-20-2-5-7(16)8(17)11(19-5)15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,18)/t5-,7-,8-,11-/m1/s1", "name": "5'-S-Methyl-5'-thioinosine", "names": [ "5'-Deoxy-5'-methylthioinosine", "5'-S-Methyl-5'-thioinosine", "S-Methyl-5'-thioinosine" ] }, { "compound_id": "C19788", "inchi": "InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)", "name": "5-Nitroanthranilate", "names": [ "2-Amino-5-nitrobenzoate", "5-Nitroanthranilate" ] }, { "compound_id": "C19789", "inchi": "InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)", "name": "5-Nitrosalicylate", "names": [ "2-Hydroxy-5-nitrobenzoate", "5-Nitrosalicylate" ] }, { "compound_id": "C19790", "inchi": null, "name": "Reduced flavin", "names": [ "Reduced flavin" ] }, { "compound_id": "C19791", "inchi": "InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4?,5-,6+,7-,9?/m1/s1", "name": "2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate", "names": [ "(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoate", "2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate" ] }, { "compound_id": "C19792", "inchi": "InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4?,5-,6+,7-,9?/m1/s1", "name": "2-O-(alpha-D-Glucopyranosyl)-D-glycerate", "names": [ "(R)-2-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoate", "2-O-(alpha-D-Glucopyranosyl)-D-glycerate" ] }, { "compound_id": "C19793", "inchi": "InChI=1S/C15H27O17P/c16-1-4-7(18)9(20)11(22)14(29-4)32-12-10(21)8(19)5(2-17)30-15(12)31-6(13(23)24)3-28-33(25,26)27/h4-12,14-22H,1-3H2,(H,23,24)(H2,25,26,27)/t4-,5-,6?,7-,8-,9+,10+,11+,12?,14?,15?/m1/s1", "name": "2-O-[2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl]-3-phospho-D-glycerate", "names": [ "2-O-[2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl]-3-phospho-D-glycerate" ] }, { "compound_id": "C19794", "inchi": "InChI=1S/C15H25N3O16P2/c16-5-1-2-18(15(26)17-5)14-12(25)6(19)4(32-14)3-31-35(27,28)34-36(29,30)33-13-10(23)8(21)7(20)9(22)11(13)24/h1-2,4,6-14,19-25H,3H2,(H,27,28)(H,29,30)(H2,16,17,26)/t4-,6-,7-,8-,9+,10+,11+,12-,13-,14-/m1/s1", "name": "CDP-1L-myo-inositol", "names": [ "CDP-1L-myo-inositol" ] }, { "compound_id": "C19795", "inchi": "InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", "name": "1-Hydroxy-1,2-dihydrolycopene", "names": [ "1-Hydroxy-1,2-dihydrolycopene" ] }, { "compound_id": "C19796", "inchi": "InChI=1/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)43-25-19(34)16-13(31)5-10(40-27-23(38)21(36)18(33)15(7-28)42-27)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26-,27+/m0/s1", "name": "Quercetin 3-O-rhamnoside 7-O-glucoside", "names": [ "Quercetin 3-O-rhamnoside 7-O-glucoside" ] }, { "compound_id": "C19797", "inchi": "InChI=1S/C30H40/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-24H,1-8H3/b10-9+,19-11+,20-12+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+", "name": "4,4'-Diapolycopene", "names": [ "4,4'-Diapolycopene" ] }, { "compound_id": "C19798", "inchi": "InChI=1S/C30H36O2/c1-25(15-9-17-27(3)19-11-21-29(5)23-31)13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)24-32/h7-24H,1-6H3/b8-7+,15-9+,16-10+,19-11+,20-12+,25-13+,26-14+,27-17+,28-18+,29-21+,30-22+", "name": "4,4'-Diapolycopenedial", "names": [ "4,4'-Diapolycopenedial" ] }, { "compound_id": "C19799", "inchi": "InChI=1S/C12H24O17P2/c13-1-2(14)5(17)10(6(18)3(1)15)28-31(25,26)29-12-8(20)4(16)7(19)11(9(12)21)27-30(22,23)24/h1-21H,(H,25,26)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-,7-,8+,9+,10-,11+,12-/m0/s1", "name": "Bis(1L-myo-inositol)-3,1'-phosphate 1-phosphate", "names": [ "Bis(1L-myo-inositol)-3,1'-phosphate 1-phosphate" ] }, { "compound_id": "C19800", "inchi": "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2", "name": "(3-Phenoxyphenyl)methanol", "names": [ "(3-Phenoxyphenyl)methanol", "3-Phenoxybenzenemethanol" ] }, { "compound_id": "C19801", "inchi": "InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3/t22?,23?,24-,27+,28+,29+,30-/m0/s1", "name": "Isomultiflorenol", "names": [ "Isomultiflorenol" ] }, { "compound_id": "C19802", "inchi": null, "name": "[Protein]-3-O-(N-acetyl-D-glucosaminyl)-L-serine", "names": [ "[Protein]-3-O-(N-acetyl-D-glucosaminyl)-L-serine", "[Protein]-3-O-(N-acetyl-beta-D-glucosaminyl)-L-serine" ] }, { "compound_id": "C19803", "inchi": null, "name": "[Protein]-L-threonine", "names": [ "[Protein]-L-threonine" ] }, { "compound_id": "C19804", "inchi": null, "name": "[Protein]-3-O-(N-acetyl-D-glucosaminyl)-L-threonine", "names": [ "[Protein]-3-O-(N-acetyl-D-glucosaminyl)-L-threonine", "[Protein]-3-O-(N-acetyl-beta-D-glucosaminyl)-L-theronine" ] }, { "compound_id": "C19805", "inchi": "InChI=1S/C22H47NO5/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-22,24-28H,5-14,23H2,1-4H3/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1", "name": "Aminopentol", "names": [ "AP1", "Aminopentol" ] }, { "compound_id": "C19806", "inchi": "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)", "name": "Propane-1,2,3-tricarboxylate", "names": [ "Propane-1,2,3-tricarboxylate", "Tricarballylate" ] }, { "compound_id": "C19807", "inchi": "InChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3", "name": "3',4',5'-O-Trimethyltricetin", "names": [ "3',4',5'-O-Trimethyltricetin", "5,7-Dihydroxy-3',4',5'-trimethoxyflavone" ] }, { "compound_id": "C19808", "inchi": "InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1", "name": "Glucovanillin", "names": [ "Glucovanillin" ] }, { "compound_id": "C19809", "inchi": "InChI=1S/C6H12N2O/c7-6(9)5-3-1-2-4-8-5/h5,8H,1-4H2,(H2,7,9)/t5-/m0/s1", "name": "(S)-Piperidine-2-carboxamide", "names": [ "(S)-Piperidine-2-carboxamide" ] }, { "compound_id": "C19810", "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15-,17+,19-,20-/m0/s1", "name": "ent-Pimara-9(11),15-diene", "names": [ "ent-Pimara-9(11),15-diene" ] }, { "compound_id": "C19813", "inchi": "InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m1/s1", "name": "threo-3-Hydroxy-D-aspartate", "names": [ "threo-3-Hydroxy-D-aspartate" ] }, { "compound_id": "C19814", "inchi": "InChI=1S/C20H32/c1-7-15(2)11-13-19(5)17(4)12-14-20(6)16(3)9-8-10-18(19)20/h7,9,17-18H,1-2,8,10-14H2,3-6H3/t17-,18+,19-,20-/m1/s1", "name": "Terpentetriene", "names": [ "Terpentetriene" ] }, { "compound_id": "C19815", "inchi": "InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18+,19-,20-/m1/s1", "name": "Terpentedienyl diphosphate", "names": [ "Terpentedienyl diphosphate" ] }, { "compound_id": "C19816", "inchi": "InChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16-19H,3,6,8-12H2,1-2,4-5H3/t16-,17-,18+,19+/m0/s1", "name": "Elisabethatriene", "names": [ "Elisabethatriene" ] }, { "compound_id": "C19817", "inchi": "InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3/t14-,15+,16-,18+,19-,20+/m1/s1", "name": "Phyllocladan-16alpha-ol", "names": [ "Phyllocladan-16alpha-ol" ] }, { "compound_id": "C19818", "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3", "name": "beta-Phellandrene", "names": [ "beta-Phellandrene" ] }, { "compound_id": "C19819", "inchi": "InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22?,24?,25?,26+,28+,29-,30+/m1/s1", "name": "Cucurbitadienol", "names": [ "Cucurbitadienol" ] }, { "compound_id": "C19820", "inchi": "InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,23-26,31H,9,11-19H2,1-8H3/b22-21-/t23?,24?,25?,26-,28-,29-,30-/m0/s1", "name": "(17Z)-Protosta-17(20),24-dien-3beta-ol", "names": [ "(17Z)-Protosta-17(20),24-dien-3beta-ol", "Protostadienol" ] }, { "compound_id": "C19821", "inchi": "InChI=1S/C6H8O4/c7-4-6(9)5(8)2-1-3-10-6/h1-2,7,9H,3-4H2", "name": "2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one", "names": [ "2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one" ] }, { "compound_id": "C19822", "inchi": "InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1", "name": "1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose", "names": [ "1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose", "Ascopyrone M" ] }, { "compound_id": "C19823", "inchi": "InChI=1S/C17H25N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,6,8,10,12-16,24-26H,5H2,1-2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t6-,8+,10+,12+,13+,14+,15+,16+/m0/s1", "name": "UDP-2-Acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose", "names": [ "UDP-2-Acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose" ] }, { "compound_id": "C19824", "inchi": null, "name": "D-5-Monosubstituted hydantoin", "names": [ "D-5-Monosubstituted hydantoin" ] }, { "compound_id": "C19825", "inchi": null, "name": "L-5-Monosubstituted hydantoin", "names": [ "L-5-Monosubstituted hydantoin" ] }, { "compound_id": "C19826", "inchi": "InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h3-4,7,9H,1-2H2/t4-/m0/s1", "name": "1,5-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose", "names": [ "1,5-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose", "5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one", "Ascopyrone P" ] }, { "compound_id": "C19827", "inchi": "InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+", "name": "Colneleate", "names": [ "(8E)-9-[(1E,3Z)-Nona-1,3-dien-1-yloxy]non-8-enoate", "Colneleate" ] }, { "compound_id": "C19828", "inchi": "InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)13-10-18-30(8,32)25-15-14-24-28(6)20-17-26(31)27(4,5)23(28)16-19-29(24,25)7/h11,13,23-26,31-32H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24+,25+,26-,28-,29+,30+/m0/s1", "name": "Arabidiol", "names": [ "(13R,14R,17E)-Malabarica-17,21-diene-3beta,14-diol", "Arabidiol" ] }, { "compound_id": "C19829", "inchi": "InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1", "name": "Dammarenediol II", "names": [ "(20S)-Dammar-24-ene-3beta,20-diol", "Dammarenediol II" ] }, { "compound_id": "C19830", "inchi": "InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1", "name": "(5S,6S)-6-Amino-5-hydroxycyclohexane-1,3-diene-1-carboxyate", "names": [ "(5S,6S)-6-Amino-5-hydroxycyclohexane-1,3-diene-1-carboxyate", "DHHA", "trans-2,3-Dihydro-3-hydroxyanthranilate", "trans-2,3-Dihydro-3-hydroxyanthranilic acid" ] }, { "compound_id": "C19831", "inchi": "InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-2,4,6H,3,8H2,(H,10,11)/t4-,6+/m1/s1", "name": "(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate", "names": [ "(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate" ] }, { "compound_id": "C19832", "inchi": "InChI=1S/C30H50O/c1-21(2)11-9-12-22(3)13-10-14-23(4)29(7)19-17-25-24(29)15-16-26-28(5,6)27(31)18-20-30(25,26)8/h11,13,23,26-27,31H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,26-,27-,29+,30+/m0/s1", "name": "Thalianol", "names": [ "Thalianol" ] }, { "compound_id": "C19833", "inchi": "InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3/t20-,22+,23-,24+,27-,28+,29-,30-/m1/s1", "name": "Germanicol", "names": [ "(3beta)-Olean-18-en-3-ol", "Germanicol" ] }, { "compound_id": "C19834", "inchi": "InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h11,23-26H,3,9-10,12-20H2,1-2,4-8H3/t23-,24-,25+,26-,28+,29-,30-/m1/s1", "name": "Dammara-20,24-diene", "names": [ "Dammara-18(28),21-diene", "Dammara-20,24-diene" ] }, { "compound_id": "C19835", "inchi": "InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-21-28-27(6)20-22-29(31)30(28,7)8/h13-15,18,20,28-29,31H,9-12,16-17,19,21-22H2,1-8H3/b24-14+,25-18+,26-15+/t28-,29+/m1/s1", "name": "Camelliol C", "names": [ "Camelliol C" ] }, { "compound_id": "C19836", "inchi": "InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18H,6-8,10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t16-,18+,20+/m0/s1", "name": "Halima-5(6),13-dien-15-yl diphosphate", "names": [ "Halima-5(6),13-dien-15-yl diphosphate" ] }, { "compound_id": "C19837", "inchi": "InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)", "name": "Indole-3-carboxylate", "names": [ "Indole-3-carboxylate", "Indole-3-carboxylic acid" ] }, { "compound_id": "C19838", "inchi": "InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m1/s1", "name": "D-erythro-3-Hydroxyaspartate", "names": [ "D-erythro-3-Hydroxyaspartate", "erythro-3-hydroxyaspartate" ] }, { "compound_id": "C19840", "inchi": "InChI=1/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3/b10-9+,21-13+,27-17+,28-18+,29-23+,30-24+", "name": "4,4'-Diapophytofluene", "names": [ "4,4'-Diapophytofluene" ] }, { "compound_id": "C19841", "inchi": "InChI=1/C30H44/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13-18,21-24H,11-12,19-20H2,1-8H3/b10-9+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+", "name": "4,4'-Diapo-zeta-carotene", "names": [ "4,4'-Diapo-zeta-carotene" ] }, { "compound_id": "C19844", "inchi": "InChI=1/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6+/m0/s1/f/h11H", "name": "(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate", "names": [ "(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate" ] }, { "compound_id": "C19848", "inchi": "InChI=1/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)/t5-,6-,7+,10-,11-,18-,19-/m1/s1/f/h27-28,34,36H,21-22H2", "name": "Adenylated molybdopterin", "names": [ "Adenylated molybdopterin" ] }, { "compound_id": "C19850", "inchi": "InChI=1/C20H38N3O16P/c1-23-7-2-5(21)9(26)15(14(7)39-40(31,32)33)35-19-17-16(10(27)8(4-25)34-19)37-20(38-17)18(30)12(29)11(28)13(36-20)6(22)3-24/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/t5-,6+,7+,8-,9+,10+,11-,12+,13-,14-,15-,16+,17+,18-,19+,20?/m1/s1/f/h31-32H", "name": "4-O-Phosphohygromycin B", "names": [ "4-O-Phosphohygromycin B" ] }, { "compound_id": "C19852", "inchi": "InChI=1/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-/f/h56-57,59H", "name": "tritrans,heptacis-Undecaprenyl diphosphate", "names": [ "tritrans,heptacis-Undecaprenyl diphosphate" ] }, { "compound_id": "C19854", "inchi": "InChI=1/C79H130O28P2/c1-48(2)23-13-24-49(3)25-14-26-50(4)27-15-28-51(5)29-16-30-52(6)31-17-32-53(7)33-18-34-54(8)35-19-36-55(9)37-20-38-56(10)39-21-40-57(11)41-22-42-58(12)43-44-98-108(94,95)107-109(96,97)106-78-69(90)67(88)71(61(47-82)101-78)102-77-70(91)72(63(84)60(46-81)99-77)103-79-74(65(86)62(83)59(45-80)100-79)105-76-68(89)64(85)66(87)73(104-76)75(92)93/h23,25,27,29,31,33,35,37,39,41,43,59-74,76-91H,13-22,24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,92,93)(H,94,95)(H,96,97)/b49-25+,50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-/t59-,60-,61-,62-,63-,64+,65+,66+,67-,68-,69-,70-,71-,72+,73+,74+,76+,77+,78-,79-/m1/s1/f/h92,94,96H", "name": "D-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol", "names": [ "D-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C19855", "inchi": "InChI=1/C73H122O22P2/c1-48(2)23-13-24-49(3)25-14-26-50(4)27-15-28-51(5)29-16-30-52(6)31-17-32-53(7)33-18-34-54(8)35-19-36-55(9)37-20-38-56(10)39-21-40-57(11)41-22-42-58(12)43-44-88-96(84,85)95-97(86,87)94-73-67(82)65(80)69(61(47-76)91-73)92-72-68(83)70(63(78)60(46-75)90-72)93-71-66(81)64(79)62(77)59(45-74)89-71/h23,25,27,29,31,33,35,37,39,41,43,59-83H,13-22,24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,84,85)(H,86,87)/b49-25+,50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-/t59-,60-,61-,62-,63-,64+,65-,66+,67-,68-,69-,70+,71-,72+,73-/m1/s1/f/h84,86H", "name": "D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol", "names": [ "D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C19856", "inchi": "InChI=1/C67H112O17P2/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(46-69)81-67)82-66-63(73)61(71)60(70)58(45-68)80-66/h23,25,27,29,31,33,35,37,39,41,43,58-74H,13-22,24,26,28,30,32,34,36,38,40,42,44-46H2,1-12H3,(H,75,76)(H,77,78)/b48-25+,49-27+,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-/t58-,59-,60-,61+,62-,63-,64-,65-,66+,67-/m1/s1/f/h75,77H", "name": "D-Glc-beta-(1->4)-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol", "names": [ "D-Glc-beta-(1->4)-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C19857", "inchi": "InChI=1/C85H140O33P2/c1-49(2)23-13-24-50(3)25-14-26-51(4)27-15-28-52(5)29-16-30-53(6)31-17-32-54(7)33-18-34-55(8)35-19-36-56(9)37-20-38-57(10)39-21-40-58(11)41-22-42-59(12)43-44-107-119(103,104)118-120(105,106)117-84-73(99)69(95)75(63(48-89)111-84)112-83-74(100)76(66(92)62(47-88)109-83)113-85-78(68(94)65(91)61(46-87)110-85)115-82-72(98)70(96)77(79(116-82)80(101)102)114-81-71(97)67(93)64(90)60(45-86)108-81/h23,25,27,29,31,33,35,37,39,41,43,60-79,81-100H,13-22,24,26,28,30,32,34,36,38,40,42,44-48H2,1-12H3,(H,101,102)(H,103,104)(H,105,106)/b50-25+,51-27+,52-29-,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-/t60-,61-,62-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72-,73-,74-,75-,76+,77+,78+,79+,81+,82-,83+,84-,85-/m1/s1/f/h101,103,105H", "name": "D-Man-beta-(1->4)-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol", "names": [ "D-Man-beta-(1->4)-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C19863", "inchi": "InChI=1/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24-,27-,28+,29-,30-/m1/s1", "name": "Lupan-3beta,20-diol", "names": [ "Lupan-3beta,20-diol" ] }, { "compound_id": "C19864", "inchi": "InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m0/s1", "name": "trans-Permethrin", "names": [ "trans-Permethrin" ] }, { "compound_id": "C19865", "inchi": "InChI=1/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1/f/h51H", "name": "Soyasaponin III", "names": [ "Soyasaponin III" ] }, { "compound_id": "C19867", "inchi": "InChI=1/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/m1/s1/f/h31H", "name": "beta-D-Glucosyl crocetin", "names": [ "beta-D-Glucosyl crocetin" ] }, { "compound_id": "C19868", "inchi": "InChI=1/C32H44O14/c1-17(11-7-13-19(3)29(41)45-31-27(39)25(37)23(35)21(15-33)43-31)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(40)26(38)24(36)22(16-34)44-32/h5-14,21-28,31-40H,15-16H2,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31+,32+/m1/s1", "name": "Bis(beta-D-glucosyl) crocetin", "names": [ "Bis(beta-D-glucosyl) crocetin" ] }, { "compound_id": "C19869", "inchi": "InChI=1/C32H44O14/c1-17(11-7-13-19(3)29(40)41)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(39)26(37)24(35)22(45-32)16-43-31-27(38)25(36)23(34)21(15-33)44-31/h5-14,21-28,31-39H,15-16H2,1-4H3,(H,40,41)/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31-,32+/m1/s1/f/h40H", "name": "beta-D-Gentiobiosyl crocetin", "names": [ "beta-D-Gentiobiosyl crocetin" ] }, { "compound_id": "C19870", "inchi": "InChI=1/C88H142O35P2/c1-50(2)24-14-25-51(3)26-15-27-52(4)28-16-29-53(5)30-17-31-54(6)32-18-33-55(7)34-19-35-56(8)36-20-37-57(9)38-21-39-58(10)40-22-41-59(11)42-23-43-60(12)44-45-111-124(106,107)123-125(108,109)122-85-73(100)68(95)75(63(48-91)114-85)116-84-74(101)77(66(93)62(47-90)112-84)117-86-79(67(94)65(92)61(46-89)113-86)119-83-72(99)70(97)78(80(120-83)81(102)103)118-82-71(98)69(96)76-64(115-82)49-110-88(13,121-76)87(104)105/h24,26,28,30,32,34,36,38,40,42,44,61-80,82-86,89-101H,14-23,25,27,29,31,33,35,37,39,41,43,45-49H2,1-13H3,(H,102,103)(H,104,105)(H,106,107)(H,108,109)/b51-26+,52-28+,53-30-,54-32-,55-34-,56-36-,57-38-,58-40-,59-42-,60-44-/t61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71+,72-,73-,74-,75-,76-,77+,78+,79+,80+,82+,83-,84+,85-,86-,88?/m1/s1/f/h102,104,106,108H", "name": "4,6-CH3(COO-)C-D-Man-beta-(1->4)-D-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol", "names": [ "4,6-CH3(COO-)C-D-Man-beta-(1->4)-D-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C19875", "inchi": "InChI=1/C92H166N2O44P2/c1-5-9-13-17-21-25-29-33-37-41-57(97)45-69(106)93-73-83(131-71(108)47-59(99)43-39-35-31-27-23-19-15-11-7-3)78(113)67(129-86(73)138-140(123,124)125)55-126-85-74(94-70(107)46-58(98)42-38-34-30-26-22-18-14-10-6-2)84(132-72(109)48-60(100)44-40-36-32-28-24-20-16-12-8-4)82(137-139(120,121)122)68(130-85)56-128-91(88(116)117)51-66(77(112)80(135-91)64(104)53-96)133-92(89(118)119)50-62(102)76(111)81(136-92)65(105)54-127-90(87(114)115)49-61(101)75(110)79(134-90)63(103)52-95/h57-68,73-86,95-105,110-113H,5-56H2,1-4H3,(H,93,106)(H,94,107)(H,114,115)(H,116,117)(H,118,119)(H2,120,121,122)(H2,123,124,125)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,90-,91-,92-/m1/s1/f/h93-94,114,116,118,120-121,123-124H", "name": "alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA", "names": [ "alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA" ] }, { "compound_id": "C19876", "inchi": "InChI=1/C100H178N2O51P2/c1-5-9-13-17-21-25-29-33-37-41-59(106)45-73(116)101-77-89(144-75(118)47-61(108)43-39-35-31-27-23-19-15-11-7-3)83(124)71(142-92(77)153-155(136,137)138)57-139-91-78(102-74(117)46-60(107)42-38-34-30-26-22-18-14-10-6-2)90(145-76(119)48-62(109)44-40-36-32-28-24-20-16-12-8-4)88(152-154(133,134)135)72(143-91)58-141-98(94(127)128)51-69(81(122)86(149-98)67(114)55-105)147-100(96(131)132)52-70(146-99(95(129)130)50-64(111)80(121)85(150-99)66(113)54-104)82(123)87(151-100)68(115)56-140-97(93(125)126)49-63(110)79(120)84(148-97)65(112)53-103/h59-72,77-92,103-115,120-124H,5-58H2,1-4H3,(H,101,116)(H,102,117)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,97-,98-,99-,100-/m1/s1/f/h101-102,125,127,129,131,133-134,136-137H", "name": "alpha-Kdo-(2->8)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA", "names": [ "alpha-Kdo-(2->8)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA" ] }, { "compound_id": "C19877", "inchi": "InChI=1/C76H143N2O33P3/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(85)77-65-71(106-63(87)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(90)59(104-74(65)111-114(99,100)101)51-102-73-66(78-62(86)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(107-64(88)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(110-113(96,97)98)60(105-73)52-103-76(75(91)92)49-58(109-112(93,94)95)67(89)69(108-76)57(84)50-79/h53-60,65-74,79-84,89-90H,5-52H2,1-4H3,(H,77,85)(H,78,86)(H,91,92)(H2,93,94,95)(H2,96,97,98)(H2,99,100,101)/t53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,76-/m1/s1/f/h77-78,91,93-94,96-97,99-100H", "name": "4-O-Phospho-alpha-Kdo-(2->6)-lipid IVA", "names": [ "4-O-Phospho-alpha-Kdo-(2->6)-lipid IVA" ] }, { "compound_id": "C19878", "inchi": "InChI=1/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1/f/h13-14H", "name": "D-glycero-alpha-D-manno-Heptose 7-phosphate", "names": [ "D-glycero-alpha-D-manno-Heptose 7-phosphate" ] }, { "compound_id": "C19879", "inchi": "InChI=1/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3+,4+,5+,6-,7-/m1/s1/f/h12-13,15-16H", "name": "D-glycero-alpha-D-manno-Heptose 1,7-bisphosphate", "names": [ "D-glycero-alpha-D-manno-Heptose 1,7-bisphosphate" ] }, { "compound_id": "C19880", "inchi": "InChI=1/C7H15O10P/c8-1-2(9)6-4(11)3(10)5(12)7(16-6)17-18(13,14)15/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1/f/h13-14H", "name": "D-glycero-alpha-D-manno-Heptose 1-phosphate", "names": [ "D-glycero-alpha-D-manno-Heptose 1-phosphate" ] }, { "compound_id": "C19881", "inchi": "InChI=1/C17H27N5O17P2/c18-17-20-13-6(14(30)21-17)19-3-22(13)15-10(28)7(25)5(36-15)2-35-40(31,32)39-41(33,34)38-16-11(29)8(26)9(27)12(37-16)4(24)1-23/h3-5,7-12,15-16,23-29H,1-2H2,(H,31,32)(H,33,34)(H3,18,20,21,30)/t4-,5-,7-,8+,9+,10-,11+,12-,15-,16-/m1/s1/f/h21,31,33H,18H2", "name": "GDP-D-glycero-alpha-D-manno-heptose", "names": [ "GDP-D-glycero-alpha-D-manno-heptose" ] }, { "compound_id": "C19882", "inchi": "InChI=1/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7?/m1/s1/f/h13-14H", "name": "D-glycero-D-manno-Heptose 7-phosphate", "names": [ "D-glycero-D-manno-Heptose 7-phosphate" ] }, { "compound_id": "C19883", "inchi": "InChI=1/C89H163N3O40P2/c1-5-9-13-17-21-25-29-33-37-41-56(95)45-67(102)91-71-81(125-69(104)47-58(97)43-39-35-31-27-23-19-15-11-7-3)76(109)65(123-84(71)131-133(115,116)117)54-121-83-72(92-68(103)46-57(96)42-38-34-30-26-22-18-14-10-6-2)82(126-70(105)48-59(98)44-40-36-32-28-24-20-16-12-8-4)80(130-134(118,119)132-85-77(110)73(106)60(90)53-120-85)66(124-83)55-122-88(86(111)112)50-64(75(108)79(128-88)63(101)52-94)127-89(87(113)114)49-61(99)74(107)78(129-89)62(100)51-93/h56-66,71-85,93-101,106-110H,5-55,90H2,1-4H3,(H,91,102)(H,92,103)(H,111,112)(H,113,114)(H,118,119)(H2,115,116,117)/t56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,71-,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,88-,89-/m1/s1/f/h91-92,111,113,115-116,118H", "name": "alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-[4-P-L-Ara4N]-lipid IVA", "names": [ "alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-[4-P-L-Ara4N]-lipid IVA" ] }, { "compound_id": "C19884", "inchi": "InChI=1/C73H139N3O26P2/c1-5-9-13-17-21-25-29-33-37-41-52(78)45-59(82)75-63-69(98-61(84)47-54(80)43-39-35-31-27-23-19-15-11-7-3)66(87)58(97-72(63)101-104(92,93)102-73-67(88)65(86)56(74)50-94-73)51-95-71-64(76-60(83)46-53(79)42-38-34-30-26-22-18-14-10-6-2)70(68(57(49-77)96-71)100-103(89,90)91)99-62(85)48-55(81)44-40-36-32-28-24-20-16-12-8-4/h52-58,63-73,77-81,86-88H,5-51,74H2,1-4H3,(H,75,82)(H,76,83)(H,92,93)(H2,89,90,91)/t52-,53-,54-,55-,56+,57-,58-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1/f/h75-76,89-90,92H", "name": "Lipid IIA", "names": [ "Lipid IIA" ] }, { "compound_id": "C19890", "inchi": "InChI=1/C115H211N3O42P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-94(129)150-83(66-60-54-48-42-35-29-23-17-11-5)72-96(131)154-108-98(118-92(127)71-82(65-59-53-47-41-34-28-22-16-10-4)149-93(128)67-61-55-49-43-36-30-24-18-12-6)109(147-78-89-102(135)107(153-95(130)70-81(122)64-58-52-46-40-33-27-21-15-9-3)97(110(151-89)159-161(141,142)143)117-91(126)69-80(121)63-57-51-45-39-32-26-20-14-8-2)152-90(106(108)158-162(144,145)160-111-103(136)99(132)84(116)77-146-111)79-148-114(112(137)138)74-88(101(134)105(156-114)87(125)76-120)155-115(113(139)140)73-85(123)100(133)104(157-115)86(124)75-119/h80-90,97-111,119-125,132-136H,7-79,116H2,1-6H3,(H,117,126)(H,118,127)(H,137,138)(H,139,140)(H,144,145)(H2,141,142,143)/t80-,81-,82-,83-,84+,85-,86-,87-,88-,89-,90-,97-,98-,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,114-,115-/m1/s1/f/h117-118,137,139,141-142,144H", "name": "alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-[4-P-L-Ara4N]-lipid A", "names": [ "alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-[4-P-L-Ara4N]-lipid A" ] }, { "compound_id": "C19891", "inchi": "InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1", "name": "1D-chiro-Inositol", "names": [ "1D-chiro-Inositol" ] }, { "compound_id": "C19892", "inchi": "InChI=1/C35H46O/c1-28(17-11-19-30(3)20-13-22-32(5)27-36)15-9-10-16-29(2)18-12-21-31(4)24-25-34-33(6)23-14-26-35(34,7)8/h9-13,15-22,24-25,27H,14,23,26H2,1-8H3/b10-9+,17-11+,18-12+,20-13+,25-24+,28-15+,29-16+,30-19+,31-21+,32-22+", "name": "4'-Apo-beta,psi-caroten-4'-al", "names": [ "4'-Apo-beta,psi-caroten-4'-al" ] }, { "compound_id": "C19893", "inchi": "InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15+/m1/s1", "name": "10-epi-gamma-Eudesmol", "names": [ "10-epi-gamma-Eudesmol" ] }, { "compound_id": "C19894", "inchi": "InChI=1/C40H60O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-16,19-28,41-42H,17-18,29-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+", "name": "1,1'-Dihydroxy-1,1',2,2'-tetrahydrolycopene", "names": [ "1,1'-Dihydroxy-1,1',2,2'-tetrahydrolycopene" ] }, { "compound_id": "C19895", "inchi": "InChI=1/C16H14O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3", "name": "4'-Methoxyflavanone", "names": [ "4'-Methoxyflavanone" ] }, { "compound_id": "C19896", "inchi": "InChI=1/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2", "name": "4'-Hydroxyflavanone", "names": [ "4'-Hydroxyflavanone" ] }, { "compound_id": "C19907", "inchi": "InChI=1/C4H5N/c1-2-4-5-3-1/h1-5H", "name": "Pyrrole", "names": [ "Pyrrole" ] }, { "compound_id": "C19908", "inchi": "InChI=1/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m0/s1", "name": "(+)-beta-Chamigrene", "names": [ "(+)-beta-Chamigrene" ] }, { "compound_id": "C19909", "inchi": "InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1/f/h12,18H", "name": "N-Acetyl-alpha-neuraminate", "names": [ "N-Acetyl-alpha-neuraminate" ] }, { "compound_id": "C19910", "inchi": "InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1/f/h12,18H", "name": "N-Acetyl-beta-neuraminate", "names": [ "N-Acetyl-beta-neuraminate" ] }, { "compound_id": "C19911", "inchi": "InChI=1/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)/f/h6,8H", "name": "Iminodiacetate", "names": [ "Iminodiacetate" ] }, { "compound_id": "C19918", "inchi": "InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21-,22-,24-,25+,26+,28-,29-,30+/m1/s1", "name": "Parkeol", "names": [ "Parkeol" ] }, { "compound_id": "C19929", "inchi": "InChI=1/C6H12N2O3/c1-4(9)8-5(2-3-7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1/f/h8,10H", "name": "N-alpha-Acetyl-L-2,4-diaminobutyrate", "names": [ "N-alpha-Acetyl-L-2,4-diaminobutyrate" ] }, { "compound_id": "C19931", "inchi": "InChI=1/C21H24N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,10,12-13,16-18,20,24H,7-9H2,1-2H3/t10-,12-,13-,16-,17-,18?,20+,21+/m0/s1", "name": "Raucaffrinoline", "names": [ "Raucaffrinoline" ] }, { "compound_id": "C19932", "inchi": "InChI=1/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12-,13-,16-,17-,18?,20+,21+/m0/s1", "name": "Perakine", "names": [ "Perakine" ] }, { "compound_id": "C19933", "inchi": "InChI=1/C18H24O4/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15/h3-6,11-13,19H,7-10,14H2,1-2H3/b4-3+,6-5+,12-11+", "name": "Prosolanapyrone II", "names": [ "Prosolanapyrone II" ] }, { "compound_id": "C19934", "inchi": "InChI=1/C18H22O4/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15/h3-6,11-14H,7-10H2,1-2H3/b4-3+,6-5+,12-11+", "name": "Prosolanapyrone III", "names": [ "Prosolanapyrone III" ] }, { "compound_id": "C19935", "inchi": "InChI=1/N3/c1-3-2/q-1", "name": "Azide", "names": [ "Azide" ] }, { "compound_id": "C19936", "inchi": "InChI=1/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+/t17-/m0/s1/f/h19H", "name": "(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate", "names": [ "(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate" ] }, { "compound_id": "C19937", "inchi": "InChI=1/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+/t17-/m1/s1/f/h19H", "name": "(8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate", "names": [ "(8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate" ] }, { "compound_id": "C19938", "inchi": "InChI=1/C15H24O/c1-10-4-5-13-11(8-16)6-12-7-14(2,3)9-15(10,12)13/h6,10,12-13,16H,4-5,7-9H2,1-3H3/t10-,12-,13+,15?/m1/s1", "name": "Pentalen-13-ol", "names": [ "Pentalen-13-ol" ] }, { "compound_id": "C19939", "inchi": "InChI=1/C15H22O/c1-10-4-5-13-11(8-16)6-12-7-14(2,3)9-15(10,12)13/h6,8,10,12-13H,4-5,7,9H2,1-3H3/t10-,12-,13+,15?/m1/s1", "name": "Pentalen-13-al", "names": [ "Pentalen-13-al" ] }, { "compound_id": "C19942", "inchi": "InChI=1/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20-24,31-32H,9-16,18H2,1-8H3/t20-,21+,22-,23-,24+,27+,28-,29+,30+/m0/s1", "name": "11alpha-Hydroxy-beta-amyrin", "names": [ "11alpha-Hydroxy-beta-amyrin" ] }, { "compound_id": "C19943", "inchi": "InChI=1/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20,22-24,32H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29+,30+/m0/s1", "name": "11-Oxo-beta-amyrin", "names": [ "11-Oxo-beta-amyrin" ] }, { "compound_id": "C19944", "inchi": "InChI=1/C19H24O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,20H,4,6-10H2,1-2H3/t15-,16-,19-/m0/s1", "name": "3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione", "names": [ "3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione" ] }, { "compound_id": "C19945", "inchi": "InChI=1/C29H44N7O20P3S/c1-29(2,24(43)27(44)32-8-7-18(38)31-9-10-60-20(41)11-16(37)5-3-4-6-19(39)40)13-53-59(50,51)56-58(48,49)52-12-17-23(55-57(45,46)47)22(42)28(54-17)36-15-35-21-25(30)33-14-34-26(21)36/h3-4,14-15,17,22-24,28,42-43H,5-13H2,1-2H3,(H,31,38)(H,32,44)(H,39,40)(H,48,49)(H,50,51)(H2,30,33,34)(H2,45,46,47)/b4-3-/t17-,22-,23-,24+,28-/m1/s1/f/h31-32,39,45-46,48,50H,30H2", "name": "3-Oxo-5,6-dehydrosuberyl-CoA", "names": [ "3-Oxo-5,6-dehydrosuberyl-CoA" ] }, { "compound_id": "C19946", "inchi": "InChI=1/C29H44N7O19P3S/c1-29(2,24(42)27(43)32-8-7-19(39)31-9-11-59-20(40)12-17(38)6-4-3-5-10-37)14-52-58(49,50)55-57(47,48)51-13-18-23(54-56(44,45)46)22(41)28(53-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-4,10,15-16,18,22-24,28,41-42H,5-9,11-14H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/b4-3-/t18-,22-,23-,24+,28-/m1/s1/f/h31-32,44-45,47,49H,30H2", "name": "3-Oxo-5,6-dehydrosuberyl-CoA semialdehyde", "names": [ "3-Oxo-5,6-dehydrosuberyl-CoA semialdehyde" ] }, { "compound_id": "C19947", "inchi": "InChI=1/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1/f/h18,25,27H", "name": "dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose", "names": [ "dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose" ] }, { "compound_id": "C19948", "inchi": "InChI=1/C18H31N3O14P2/c1-8-6-21(18(26)19-16(8)25)12-5-10(22)11(33-12)7-31-36(27,28)35-37(29,30)34-17-15(24)13(20(3)4)14(23)9(2)32-17/h6,9-15,17,22-24H,5,7H2,1-4H3,(H,27,28)(H,29,30)(H,19,25,26)/t9-,10+,11-,12-,13+,14+,15-,17-/m1/s1/f/h19,27,29H", "name": "dTDP-3-dimethylamino-3,6-dideoxy-alpha-D-galactopyranose", "names": [ "dTDP-3-dimethylamino-3,6-dideoxy-alpha-D-galactopyranose" ] }, { "compound_id": "C19960", "inchi": "InChI=1/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-11,13,15,19-20,22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11+,13-,15-/m1/s1/f/h17,25,27H", "name": "dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose", "names": [ "dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose" ] }, { "compound_id": "C19961", "inchi": "InChI=1/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1/f/h19-20,28,30H", "name": "UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine", "names": [ "UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine" ] }, { "compound_id": "C19963", "inchi": "InChI=1/C20H34O/c1-15(11-14-21)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18,21H,6-8,10,12-14H2,1-5H3/b15-11+/t16-,18+,20+/m0/s1", "name": "Tuberculosinol", "names": [ "Tuberculosinol" ] }, { "compound_id": "C19964", "inchi": "InChI=1/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19+,20+/m0/s1", "name": "(13S)-Isotuberculosinol", "names": [ "(13S)-Isotuberculosinol" ] }, { "compound_id": "C19965", "inchi": "InChI=1/C24H38O20/c1-5-17(12(30)14(32)23(38-5)44-19-11(29)8(3-25)39-21(37)16(19)34)42-24-15(33)13(31)18(9(4-26)41-24)43-22-10(28)6(27)2-7(40-22)20(35)36/h2,5-6,8-19,21-34,37H,3-4H2,1H3,(H,35,36)/t5-,6-,8+,9+,10+,11+,12-,13+,14+,15+,16+,17-,18+,19-,21+,22-,23-,24-/m0/s1/f/h35H", "name": "beta-D-4-Deoxy-delta4-GlcA-(1->4)-beta-D-Glc-(1->4)-alpha-L-Rha-(1->3)-beta-D-Glc", "names": [ "beta-D-4-Deoxy-delta4-GlcA-(1->4)-beta-D-Glc-(1->4)-alpha-L-Rha-(1->3)-beta-D-Glc" ] }, { "compound_id": "C19966", "inchi": "InChI=1/C18H32O15/c1-4-14(32-18-11(25)9(23)7(21)5(2-19)31-18)10(24)12(26)17(29-4)33-15-8(22)6(3-20)30-16(28)13(15)27/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-,10-,11+,12+,13+,14-,15-,16+,17-,18-/m0/s1", "name": "beta-D-Glc-(1->4)-alpha-L-Rha-(1->3)-beta-D-Glc", "names": [ "beta-D-Glc-(1->4)-alpha-L-Rha-(1->3)-beta-D-Glc" ] }, { "compound_id": "C19967", "inchi": "InChI=1/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1/f/h12-13,19-20,22,24H,11H2", "name": "8-Oxo-dGTP", "names": [ "8-Oxo-dGTP" ] }, { "compound_id": "C19968", "inchi": "InChI=1/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1/f/h12-13,19-20H,11H2", "name": "8-Oxo-dGMP", "names": [ "8-Oxo-dGMP" ] }, { "compound_id": "C19969", "inchi": "InChI=1/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1/f/h17-19,21,23H,11H2", "name": "2-Hydroxy-dATP", "names": [ "2-Hydroxy-dATP" ] }, { "compound_id": "C19970", "inchi": "InChI=1/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1/f/h17-19H,11H2", "name": "2-Hydroxy-dAMP", "names": [ "2-Hydroxy-dAMP" ] }, { "compound_id": "C19971", "inchi": "InChI=1/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/t7-,10+,12-,13+,14+,15-,16+,17+,18+/m0/s1/f/h20-22,31,33H", "name": "UDP-2,4-bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose", "names": [ "UDP-2,4-bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose" ] }, { "compound_id": "C19972", "inchi": "InChI=1/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8+,9-,10-/m0/s1/f/h11-12H", "name": "2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose", "names": [ "2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose" ] }, { "compound_id": "C19973", "inchi": "InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1", "name": "(+)-beta-Caryophyllene", "names": [ "(+)-beta-Caryophyllene" ] }, { "compound_id": "C19974", "inchi": "InChI=1/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3/t11-,12+,14+,15?/m0/s1", "name": "(+)-Caryolan-1-ol", "names": [ "(+)-Caryolan-1-ol" ] }, { "compound_id": "C19975", "inchi": "InChI=1/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-8-7-19(37)31-9-11-58-20(38)12-17-6-4-3-5-10-49-17)14-51-57(47,48)54-56(45,46)50-13-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-5,10,12,15-16,18,22-24,28,39-40H,6-9,11,13-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b17-12-/t18-,22-,23-,24+,28-/m1/s1/f/h31-32,42-43,45,47H,30H2", "name": "2-Oxepin-2(3H)-ylideneacetyl-CoA", "names": [ "2-Oxepin-2(3H)-ylideneacetyl-CoA" ] }, { "compound_id": "C20045", "inchi": "InChI=1/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1", "name": "Verruculogen", "names": [ "Verruculogen" ] }, { "compound_id": "C20062", "inchi": "InChI=1/C29H42N7O18P3S/c1-28(2,23(40)26(41)32-8-6-18(37)31-9-10-58-19(38)11-29-7-4-3-5-17(29)52-29)13-50-57(47,48)54-56(45,46)49-12-16-22(53-55(42,43)44)21(39)27(51-16)36-15-35-20-24(30)33-14-34-25(20)36/h3-5,7,14-17,21-23,27,39-40H,6,8-13H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t16-,17?,21-,22-,23+,27-,29?/m1/s1/f/h31-32,42-43,45,47H,30H2", "name": "2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA", "names": [ "2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA" ] }, { "compound_id": "C20082", "inchi": "InChI=1/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8-,9-,10-,11-,13-/m0/s1/f/h14-15,20H", "name": "Pseudaminic acid", "names": [ "Pseudaminic acid" ] }, { "compound_id": "C20083", "inchi": "InChI=1/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/t8-,11-,12+,14-,15-,16+,17+,18-,19+,22+/m0/s1/f/h24-25,34,37H,23H2", "name": "CMP-pseudaminic acid", "names": [ "CMP-pseudaminic acid" ] }, { "compound_id": "C20121", "inchi": "InChI=1/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9+,15-11+/f/h16-17H", "name": "trans,trans-Farnesyl phosphate", "names": [ "trans,trans-Farnesyl phosphate" ] }, { "compound_id": "C20134", "inchi": "InChI=1/C25H32ClNO6/c1-14-6-5-7-23(33-4)21(30)12-19(28)15(2)9-16(3)20(29)13-24(32)27-18-10-17(8-14)11-22(31)25(18)26/h5-7,9-11,15,19-20,23,28-29,31H,8,12-13H2,1-4H3,(H,27,32)/b7-5+,14-6+,16-9+/t15-,19-,20-,23+/m0/s1/f/h27H", "name": "19-Chloroproansamitocin", "names": [ "19-Chloroproansamitocin" ] }, { "compound_id": "C20135", "inchi": "InChI=1/C26H34ClNO6/c1-15-7-6-8-23(33-4)22(31)13-20(29)16(2)10-17(3)21(30)14-25(32)28-19-11-18(9-15)12-24(34-5)26(19)27/h6-8,10-12,16,20-21,23,29-30H,9,13-14H2,1-5H3,(H,28,32)/b8-6+,15-7+,17-10+/t16-,20-,21-,23+/m0/s1/f/h28H", "name": "20-O-Methyl-19-chloroproansamitocin", "names": [ "20-O-Methyl-19-chloroproansamitocin" ] }, { "compound_id": "C20136", "inchi": "InChI=1/C27H35ClN2O7/c1-15-7-6-8-23(36-5)27(34)14-22(37-26(33)30-27)17(3)10-16(2)20(31)13-24(32)29-19-11-18(9-15)12-21(35-4)25(19)28/h6-8,10-12,17,20,22-23,31,34H,9,13-14H2,1-5H3,(H,29,32)(H,30,33)/b8-6+,15-7+,16-10+/t17-,20-,22-,23+,27-/m0/s1/f/h29-30H", "name": "N-Demethyl-desepoxymaytansinol", "names": [ "N-Demethyl-desepoxymaytansinol" ] }, { "compound_id": "C20137", "inchi": "InChI=1/C31H41ClN2O8/c1-17(2)29(36)41-23-15-27(35)33-22-13-21(14-24(39-6)28(22)32)11-18(3)9-8-10-26(40-7)31(38)16-25(42-30(37)34-31)20(5)12-19(23)4/h8-10,12-14,17,20,23,25-26,38H,11,15-16H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,18-9+,19-12+/t20-,23-,25-,26+,31-/m0/s1/f/h33-34H", "name": "N-Demethyl-desepoxyansamitocin P-3", "names": [ "N-Demethyl-desepoxyansamitocin P-3" ] }, { "compound_id": "C20138", "inchi": "InChI=1/C31H41ClN2O9/c1-16(2)28(36)42-24-14-25(35)33-20-12-19(13-21(39-6)26(20)32)11-17(3)9-8-10-23(40-7)31(38)15-22(41-29(37)34-31)18(4)27-30(24,5)43-27/h8-10,12-13,16,18,22-24,27,38H,11,14-15H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,17-9+/t18-,22+,23-,24+,27+,30+,31+/m1/s1/f/h33-34H", "name": "N-Demethylansamitocin P-3", "names": [ "N-Demethylansamitocin P-3" ] }, { "compound_id": "C20139", "inchi": "InChI=1/C37H51ClN2O14/c1-17(2)34(46)53-26-14-27(42)40(33-31(45)30(44)29(43)24(16-41)51-33)21-12-20(13-22(49-6)28(21)38)11-18(3)9-8-10-25(50-7)37(48)15-23(52-35(47)39-37)19(4)32-36(26,5)54-32/h8-10,12-13,17,19,23-26,29-33,41,43-45,48H,11,14-16H2,1-7H3,(H,39,47)/b10-8+,18-9+/t19-,23+,24-,25-,26+,29-,30+,31-,32+,33-,36+,37+/m1/s1/f/h39H", "name": "Ansamitocinoside P-3", "names": [ "Ansamitocinoside P-3" ] }, { "compound_id": "C20140", "inchi": "InChI=1/C38H52ClN3O15/c1-17(2)34(47)55-26-14-27(44)42(33-30(46)29(45)31(56-35(40)48)24(16-43)53-33)21-12-20(13-22(51-6)28(21)39)11-18(3)9-8-10-25(52-7)38(50)15-23(54-36(49)41-38)19(4)32-37(26,5)57-32/h8-10,12-13,17,19,23-26,29-33,43,45-46,50H,11,14-16H2,1-7H3,(H2,40,48)(H,41,49)/b10-8+,18-9+/t19-,23+,24-,25-,26+,29-,30-,31-,32+,33-,37+,38+/m1/s1/f/h41H,40H2", "name": "4''-O-Carbamoyl ansamitocinoside P-3", "names": [ "4''-O-Carbamoyl ansamitocinoside P-3" ] }, { "compound_id": "C20143", "inchi": "InChI=1/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18?,19-,22+,23-,24+,25+,26+,27-/m1/s1", "name": "26-Hydroxycholest-4-en-3-one", "names": [ "26-Hydroxycholest-4-en-3-one" ] }, { "compound_id": "C20144", "inchi": "InChI=1/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1", "name": "Androsta-1,4-diene-3,17-dione", "names": [ "Androsta-1,4-diene-3,17-dione" ] }, { "compound_id": "C20145", "inchi": "InChI=1/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16-,17+,19-,20-/m1/s1", "name": "ent-Isokaurene", "names": [ "ent-Isokaurene" ] }, { "compound_id": "C20146", "inchi": "InChI=1/C20H32O/c1-13-9-20-8-7-16-18(2,3)11-15(21)12-19(16,4)17(20)6-5-14(13)10-20/h9,14-17,21H,5-8,10-12H2,1-4H3/t14-,15-,16-,17+,19-,20-/m1/s1", "name": "ent-2alpha-Hydroxyisokaurene", "names": [ "ent-2alpha-Hydroxyisokaurene" ] }, { "compound_id": "C20147", "inchi": "InChI=1/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17+,18-,19-,20-/m1/s1", "name": "9beta-Pimara-7,15-dien-19-ol", "names": [ "9beta-Pimara-7,15-dien-19-ol" ] }, { "compound_id": "C20148", "inchi": "InChI=1/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17+,18-,19-,20-/m1/s1", "name": "9beta-Pimara-7,15-dien-19-al", "names": [ "9beta-Pimara-7,15-dien-19-al" ] }, { "compound_id": "C20149", "inchi": "InChI=1/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16-,18-,19-,20+/m1/s1/f/h21H", "name": "9beta-Pimara-7,15-dien-19-oate", "names": [ "9beta-Pimara-7,15-dien-19-oate" ] }, { "compound_id": "C20150", "inchi": "InChI=1/C20H32O/c1-6-14-12-16(21)18-15(13(14)2)8-9-17-19(3,4)10-7-11-20(17,18)5/h6,12-13,15-18,21H,1,7-11H2,2-5H3/t13-,15-,16-,17-,18+,20-/m1/s1", "name": "ent-11beta-Hydroxycassa-12,15-diene", "names": [ "ent-11beta-Hydroxycassa-12,15-diene" ] }, { "compound_id": "C20151", "inchi": "InChI=1/C22H34O4/c1-12-9-17(24)16-10-15-13(2)19(26-14(3)23)7-8-22(15,6)11-18(25)20(12)21(16,4)5/h15-19,24-25H,2,7-11H2,1,3-6H3/t15-,16-,17+,18+,19+,22+/m1/s1", "name": "10beta,14beta-Dihydroxytaxa-4(20),11-dien-5alpha-yl acetate", "names": [ "10beta,14beta-Dihydroxytaxa-4(20),11-dien-5alpha-yl acetate" ] }, { "compound_id": "C20152", "inchi": "InChI=1/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1", "name": "Taxusin", "names": [ "Taxusin" ] }, { "compound_id": "C20153", "inchi": "InChI=1/C28H40O9/c1-13-20-10-19-11-21(34-15(3)29)14(2)24(27(19,7)8)25(36-17(5)31)26(37-18(6)32)28(20,9)23(33)12-22(13)35-16(4)30/h19-23,25-26,33H,1,10-12H2,2-9H3/t19-,20-,21+,22+,23+,25-,26+,28+/m1/s1", "name": "7beta-Hydroxytaxusin", "names": [ "7beta-Hydroxytaxusin" ] }, { "compound_id": "C20154", "inchi": "InChI=1/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+", "name": "3-Methoxy-4',5-dihydroxy-trans-stilbene", "names": [ "3-Methoxy-4',5-dihydroxy-trans-stilbene" ] }, { "compound_id": "C20155", "inchi": "InChI=1/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)/f/h7,9-10H,6H2", "name": "8-Oxoguanine", "names": [ "8-Oxoguanine" ] }, { "compound_id": "C20156", "inchi": "InChI=1/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1/f/h19-20,28,30H", "name": "dTDP-3-acetamido-3,6-dideoxy-alpha-D-galactopyranose", "names": [ "dTDP-3-acetamido-3,6-dideoxy-alpha-D-galactopyranose" ] }, { "compound_id": "C20158", "inchi": "InChI=1/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17-,18-,20+/m0/s1", "name": "(13E)-Labda-7,13-dien-15-ol", "names": [ "(13E)-Labda-7,13-dien-15-ol" ] }, { "compound_id": "C20159", "inchi": "InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15+/m0/s1", "name": "7-epi-alpha-Selinene", "names": [ "7-epi-alpha-Selinene" ] }, { "compound_id": "C20161", "inchi": "InChI=1/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1", "name": "alpha-Guaiene", "names": [ "alpha-Guaiene" ] }, { "compound_id": "C20162", "inchi": "InChI=1/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3/t10-,12-,13-,14-/m1/s1", "name": "Viridiflorene", "names": [ "Viridiflorene" ] }, { "compound_id": "C20163", "inchi": "InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1", "name": "5-epi-alpha-Selinene", "names": [ "5-epi-alpha-Selinene" ] }, { "compound_id": "C20172", "inchi": "InChI=1/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13?,14+,15-/m1/s1", "name": "Cubebol", "names": [ "Cubebol" ] }, { "compound_id": "C20173", "inchi": "InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1", "name": "(+)-gamma-Cadinene", "names": [ "(+)-gamma-Cadinene" ] }, { "compound_id": "C20174", "inchi": "InChI=1/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1", "name": "delta-Guaiene", "names": [ "delta-Guaiene" ] }, { "compound_id": "C20175", "inchi": "InChI=1/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m1/s1", "name": "Bicyclogermacrene", "names": [ "Bicyclogermacrene" ] }, { "compound_id": "C20176", "inchi": "InChI=1/C10H15N5O11P2/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(25-5)2-24-28(22,23)26-27(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1/f/h12-13,19-20,22H,11H2", "name": "8-Oxo-dGDP", "names": [ "8-Oxo-dGDP" ] }, { "compound_id": "C20177", "inchi": "InChI=1/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13-,14+,15+/m1/s1", "name": "7-epi-Sesquithujene", "names": [ "7-epi-Sesquithujene" ] }, { "compound_id": "C20178", "inchi": "InChI=1/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13-,14-,15-/m0/s1", "name": "Sesquithujene", "names": [ "Sesquithujene" ] }, { "compound_id": "C20179", "inchi": "InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m1/s1", "name": "gamma-Curcumene", "names": [ "gamma-Curcumene" ] }, { "compound_id": "C20180", "inchi": "InChI=1/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6,8H,5,7,9-11H2,1-4H3/t15-/m0/s1", "name": "(-)-alpha-Cuprenene", "names": [ "(-)-alpha-Cuprenene" ] }, { "compound_id": "C20181", "inchi": "InChI=1/C15H26O/c1-9-5-6-11(16)15(4)8-7-10-13(12(9)15)14(10,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,15-/m1/s1", "name": "Avermitilol", "names": [ "Avermitilol" ] }, { "compound_id": "C20182", "inchi": "InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m1/s1", "name": "(-)-delta-Cadinene", "names": [ "(-)-delta-Cadinene" ] }, { "compound_id": "C20183", "inchi": "InChI=1/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1/fC11H18N5O11P2/h14,20-21,23H,12H2/q+1", "name": "N7-Methylguanosine 5'-diphosphate", "names": [ "N7-Methylguanosine 5'-diphosphate" ] }, { "compound_id": "C20184", "inchi": "InChI=1/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m1/s1", "name": "(+)-T-Muurolol", "names": [ "(+)-T-Muurolol" ] }, { "compound_id": "C20185", "inchi": "InChI=1/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20-/m1/s1", "name": "(12E)-9alpha-Labda-8(17),12,14-triene", "names": [ "(12E)-9alpha-Labda-8(17),12,14-triene" ] }, { "compound_id": "C20186", "inchi": "InChI=1/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/b7-6-,11-9-/t16-,17-/m0/s1/f/h21H", "name": "5S,8R-DiHODE", "names": [ "5S,8R-DiHODE" ] }, { "compound_id": "C20187", "inchi": "InChI=1/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,25-27,31H,3,9,11-20H2,1-2,4-8H3/b21-10+/t25-,26+,27+,30+/m1/s1", "name": "Achilleol B", "names": [ "Achilleol B" ] }, { "compound_id": "C20188", "inchi": "InChI=1/C30H50O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-24,31H,10-19H2,1-8H3/t21-,22+,23-,24+,27-,28+,29-,30+/m1/s1", "name": "Glutinol", "names": [ "Glutinol" ] }, { "compound_id": "C20189", "inchi": "InChI=1/C30H50O/c1-21(2)10-9-14-26(5)16-18-28(7)23-12-11-22-25(3,4)24-13-15-30(22,31-24)29(23,8)19-17-27(28,6)20-26/h10,22-24H,9,11-20H2,1-8H3/t22-,23+,24-,26+,27-,28+,29+,30+/m0/s1", "name": "Baccharis oxide", "names": [ "Baccharis oxide" ] }, { "compound_id": "C20190", "inchi": "InChI=1/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1/f/h35,37,39,41,43,45H,21-22H2", "name": "P1,P6-Bis(5'-adenosyl)hexaphosphate", "names": [ "P1,P6-Bis(5'-adenosyl)hexaphosphate" ] }, { "compound_id": "C20191", "inchi": "InChI=1/C30H50O/c1-19-13-16-29(7)17-14-20(2)23(27(29)22(19)4)10-11-24-21(3)9-12-25-28(5,6)26(31)15-18-30(24,25)8/h9,19,22,24-27,31H,10-18H2,1-8H3/t19-,22+,24+,25+,26+,27+,29-,30-/m1/s1", "name": "alpha-seco-Amyrin", "names": [ "alpha-seco-Amyrin" ] }, { "compound_id": "C20192", "inchi": "InChI=1/C30H50O/c1-23(2)13-9-14-25(5)15-10-16-26(6)17-11-21-30(8)27(7)19-20-28(24(3)4)29(30)18-12-22-31/h13,15,17,22,27,29H,9-12,14,16,18-21H2,1-8H3/b25-15+,26-17+/t27-,29-,30-/m1/s1", "name": "Marneral", "names": [ "Marneral" ] }, { "compound_id": "C20193", "inchi": "InChI=1/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h9,23-26,31H,10-19H2,1-8H3/t23-,24-,25-,26-,29-,30+/m0/s1", "name": "beta-seco-Amyrin", "names": [ "beta-seco-Amyrin" ] }, { "compound_id": "C20194", "inchi": "InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h22-24,31H,9-19H2,1-8H3/t22-,23+,24-,27+,28-,29+,30+/m0/s1", "name": "delta-Amyrin", "names": [ "delta-Amyrin" ] }, { "compound_id": "C20195", "inchi": "InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3/t21-,22-,23-,25-,26-,28+,29-,30+/m0/s1", "name": "Tirucalla-7,24-dien-3beta-ol", "names": [ "Tirucalla-7,24-dien-3beta-ol" ] }, { "compound_id": "C20198", "inchi": "InChI=1/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19,21,23,25,27H,11H2", "name": "Adenosine 5'-pentaphosphate", "names": [ "Adenosine 5'-pentaphosphate" ] }, { "compound_id": "C20199", "inchi": "InChI=1/C13H18O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-9H,2-7H2,1H3,(H,16,17)/t8-,9-,13-/m0/s1/f/h16H", "name": "3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate", "names": [ "3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate" ] }, { "compound_id": "C20200", "inchi": "InChI=1/C30H50O/c1-21(2)10-9-15-27(5)16-19-30(8)24-13-11-22-23(12-14-25(31)26(22,3)4)29(24,7)18-17-28(30,6)20-27/h10-11,23-25,31H,9,12-20H2,1-8H3/t23-,24+,25+,27-,28+,29+,30-/m1/s1", "name": "Baruol", "names": [ "Baruol" ] }, { "compound_id": "C20201", "inchi": "InChI=1/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13+,17+/m0/s1", "name": "(-)-Solanapyrone A", "names": [ "(-)-Solanapyrone A" ] }, { "compound_id": "C20208", "inchi": "InChI=1/C20H30O2/c1-13-7-10-20-12-14(13)11-15(20)5-6-16-18(2,17(21)22)8-4-9-19(16,20)3/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,16-,18-,19-,20+/m0/s1/f/h21H", "name": "syn-Stemoden-19-oate", "names": [ "syn-Stemoden-19-oate" ] }, { "compound_id": "C20221", "inchi": "InChI=1/C10H16O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,8,12H,1,5,7H2,2-3H3/b9-6+", "name": "(6E)-8-Oxolinalool", "names": [ "(6E)-8-Oxolinalool" ] }, { "compound_id": "C20222", "inchi": "InChI=1/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-7,12H,3-4,8H2,1-2H3/b9-6+,10-5+", "name": "(6E)-8-Hydroxygeranial", "names": [ "(6E)-8-Hydroxygeranial" ] }, { "compound_id": "C20223", "inchi": "InChI=1/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,8,11H,3-4,7H2,1-2H3/b9-6+,10-5+", "name": "(6E)-8-Oxogeraniol", "names": [ "(6E)-8-Oxogeraniol" ] }, { "compound_id": "C20225", "inchi": "InChI=1/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3/b4-3+", "name": "Coniferyl acetate", "names": [ "Coniferyl acetate" ] }, { "compound_id": "C20226", "inchi": "InChI=1/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H", "name": "Benzil", "names": [ "Benzil" ] }, { "compound_id": "C20227", "inchi": "InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H/t13-/m0/s1", "name": "(S)-Benzoin", "names": [ "(S)-Benzoin" ] }, { "compound_id": "C20228", "inchi": "InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H/t13-/m1/s1", "name": "(R)-Benzoin", "names": [ "(R)-Benzoin" ] }, { "compound_id": "C20229", "inchi": "InChI=1/C15H24O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11,14,16H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+", "name": "10-Hydroxy-alpha-humulene", "names": [ "10-Hydroxy-alpha-humulene" ] }, { "compound_id": "C20230", "inchi": "InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1", "name": "(+)-Sabinene", "names": [ "(+)-Sabinene" ] }, { "compound_id": "C20231", "inchi": "InChI=1/C4H6N2O4/c5-4(8)6-2-1-3(7)10-9/h1-2,9H,(H3,5,6,8)/b2-1-/f/h6H,5H2", "name": "(Z)-3-Ureidoacrylate peracid", "names": [ "(Z)-3-Ureidoacrylate peracid" ] }, { "compound_id": "C20232", "inchi": "InChI=1/C5H8N2O4/c1-3(4(8)11-10)2-7-5(6)9/h2,10H,1H3,(H3,6,7,9)/b3-2-/f/h7H,6H2", "name": "(Z)-2-Methylureidoacrylate peracid", "names": [ "(Z)-2-Methylureidoacrylate peracid" ] }, { "compound_id": "C20234", "inchi": "InChI=1/C7H13N3O3/c1-4(5(11)6(12)13)2-3-10-7(8)9/h4H,2-3H2,1H3,(H,12,13)(H4,8,9,10)/f/h8,10,12H,9H2", "name": "5-Guanidino-3-methyl-2-oxopentanoate", "names": [ "5-Guanidino-3-methyl-2-oxopentanoate" ] }, { "compound_id": "C20235", "inchi": "InChI=1/C11H22O7P2/c1-9(2)6-5-7-10(3)11(4)8-17-20(15,16)18-19(12,13)14/h6H,5,7-8H2,1-4H3,(H,15,16)(H2,12,13,14)/b11-10+/f/h12-13,15H", "name": "(E)-2-Methylgeranyl diphosphate", "names": [ "(E)-2-Methylgeranyl diphosphate" ] }, { "compound_id": "C20236", "inchi": "InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9+,10-,11?,12+/m1/s1", "name": "4-O-beta-D-Mannopyranosyl-D-glucopyranose", "names": [ "4-O-beta-D-Mannopyranosyl-D-glucopyranose" ] }, { "compound_id": "C20237", "inchi": "InChI=1/C12H23O14P/c13-1-3-5(15)6(16)8(18)11(23-3)25-10-4(2-14)24-12(9(19)7(10)17)26-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1/f/h20-21H", "name": "alpha-Maltose 1-phosphate", "names": [ "alpha-Maltose 1-phosphate" ] }, { "compound_id": "C20238", "inchi": "InChI=1/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14-,17-,18-,19+,23-/m1/s1/f/h28-29,38,41-42,44,46H,27H2", "name": "(2R)-Ethylmalonyl-CoA", "names": [ "(2R)-Ethylmalonyl-CoA" ] }, { "compound_id": "C20239", "inchi": "InChI=1/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)/f/h9,12,14H,8H2", "name": "6-Carboxy-5,6,7,8-tetrahydropterin", "names": [ "6-Carboxy-5,6,7,8-tetrahydropterin" ] }, { "compound_id": "C20240", "inchi": "InChI=1/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4-/f/h8H", "name": "(2Z,4Z)-2-Hydroxyhexa-2,4-dienoate", "names": [ "(2Z,4Z)-2-Hydroxyhexa-2,4-dienoate" ] }, { "compound_id": "C20241", "inchi": "InChI=1/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3", "name": "Tricyclene", "names": [ "Tricyclene" ] }, { "compound_id": "C20242", "inchi": "InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1", "name": "(-)-Sabinene", "names": [ "(-)-Sabinene" ] }, { "compound_id": "C20243", "inchi": "InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8?,10?,11-/m1/s1", "name": "2-Methylisoborneol", "names": [ "2-Methylisoborneol" ] }, { "compound_id": "C20244", "inchi": "InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1", "name": "(+)-beta-Pinene", "names": [ "(+)-beta-Pinene" ] }, { "compound_id": "C20245", "inchi": "InChI=1/C17H28N3O20P3/c1-6(22)18-10-14(38-41(28,29)30)12(25)7(4-21)37-16(10)39-43(33,34)40-42(31,32)35-5-8-11(24)13(26)15(36-8)20-3-2-9(23)19-17(20)27/h2-3,7-8,10-16,21,24-26H,4-5H2,1H3,(H,18,22)(H,31,32)(H,33,34)(H,19,23,27)(H2,28,29,30)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1/f/h18-19,28-29,31,33H", "name": "UDP-N-acetyl-alpha-D-glucosamine 3'-phosphate", "names": [ "UDP-N-acetyl-alpha-D-glucosamine 3'-phosphate" ] }, { "compound_id": "C20246", "inchi": "InChI=1/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2,6H,3H2,1H3,(H,9,10)(H2,11,12,13)/b5-2-/t6-/m1/s1/f/h9,11-12H", "name": "2-[(2R,5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate", "names": [ "2-[(2R,5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate" ] }, { "compound_id": "C20247", "inchi": "InChI=1/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2-3H2,1H3,(H,9,10)(H2,11,12,13)/f/h9,11-12H", "name": "2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate", "names": [ "2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate" ] }, { "compound_id": "C20248", "inchi": "InChI=1/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)/f/h9,11,13H,8H2", "name": "7-Carboxy-7-carbaguanine", "names": [ "7-Carboxy-7-carbaguanine" ] }, { "compound_id": "C20249", "inchi": "InChI=1/C3H5NO3/c4-2-1-3(5)7-6/h1-2,6H,4H2/b2-1-", "name": "(Z)-3-Peroxyaminoacrylate", "names": [ "(Z)-3-Peroxyaminoacrylate" ] }, { "compound_id": "C20250", "inchi": "InChI=1/C4H7NO3/c1-3(2-5)4(6)8-7/h2,7H,5H2,1H3/b3-2-", "name": "(Z)-2-Methylperoxyaminoacrylate", "names": [ "(Z)-2-Methylperoxyaminoacrylate" ] }, { "compound_id": "C20251", "inchi": "InChI=1/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4-,5-/m1/s1", "name": "1-Keto-D-chiro-inositol", "names": [ "1-Keto-D-chiro-inositol" ] }, { "compound_id": "C20252", "inchi": "InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1", "name": "5-Androstene-3,17-dione", "names": [ "5-Androstene-3,17-dione" ] }, { "compound_id": "C20253", "inchi": "InChI=1/C3H5NO2/c4-2-1-3(5)6/h1-2H,4H2,(H,5,6)/b2-1-/f/h5H", "name": "Aminoacrylate", "names": [ "Aminoacrylate" ] }, { "compound_id": "C20254", "inchi": "InChI=1/C4H6N2O3/c5-4(9)6-2-1-3(7)8/h1-2H,(H,7,8)(H3,5,6,9)/b2-1-/f/h6-7H,5H2", "name": "Ureidoacrylate", "names": [ "Ureidoacrylate" ] }, { "compound_id": "C20258", "inchi": "InChI=1/C7H9NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h3-4,9H,1-2H2,(H,10,11)(H,12,13)/t3-,4-/m0/s1/f/h10,12H", "name": "(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate", "names": [ "(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate" ] }, { "compound_id": "C20260", "inchi": "InChI=1/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1", "name": "(+)-Thujan-3-one", "names": [ "(+)-Thujan-3-one" ] }, { "compound_id": "C20261", "inchi": "InChI=1/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-,10-/m0/s1", "name": "(+)-Thujan-3-ol", "names": [ "(+)-Thujan-3-ol" ] }, { "compound_id": "C20262", "inchi": "InChI=1/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+", "name": "Zerumbone", "names": [ "Zerumbone" ] }, { "compound_id": "C20263", "inchi": "InChI=1/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6+/m0/s1/f/h11,14H,10H2", "name": "L-threo-7,8-Dihydrobiopterin", "names": [ "L-threo-7,8-Dihydrobiopterin" ] }, { "compound_id": "C20264", "inchi": "InChI=1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4?,6+/m0/s1/f/h11,14H,10H2", "name": "L-threo-Tetrahydrobiopterin", "names": [ "L-threo-Tetrahydrobiopterin" ] }, { "compound_id": "C20267", "inchi": "InChI=1/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)/f/h8H2", "name": "4-Amino-5-aminomethyl-2-methylpyrimidine", "names": [ "4-Amino-5-aminomethyl-2-methylpyrimidine" ] }, { "compound_id": "C20270", "inchi": "InChI=1/C20H38O8P2/c1-15(10-14-27-30(25,26)28-29(22,23)24)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21/h10,16-17,21H,6-9,11-14H2,1-5H3,(H,25,26)(H2,22,23,24)/b15-10+/t16-,17+,19-,20+/m0/s1/f/h22-23,25H", "name": "Copal-8-ol diphosphate", "names": [ "Copal-8-ol diphosphate" ] }, { "compound_id": "C20271", "inchi": "InChI=1/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/t7-/m0/s1/f/h12H", "name": "[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate", "names": [ "[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate" ] }, { "compound_id": "C20272", "inchi": "InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1", "name": "alpha-Muurolene", "names": [ "alpha-Muurolene" ] }, { "compound_id": "C20273", "inchi": "InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1", "name": "gamma-Muurolene", "names": [ "gamma-Muurolene" ] }, { "compound_id": "C20274", "inchi": "InChI=1/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1", "name": "beta-Copaene", "names": [ "beta-Copaene" ] }, { "compound_id": "C20275", "inchi": "InChI=1/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14?,15+/m0/s1", "name": "(+)-Sativene", "names": [ "(+)-Sativene" ] }, { "compound_id": "C20276", "inchi": "InChI=1/C35H56/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-34(8)35-26-24-33(7)25-27-35/h14,16,18,20,22,24,27,34H,9-13,15,17,19,21,23,25-26H2,1-8H3/b29-16+,30-18+,31-20+,32-22+/t34-/m1/s1", "name": "Tetraprenyl-beta-curcumene", "names": [ "Tetraprenyl-beta-curcumene" ] }, { "compound_id": "C20277", "inchi": "InChI=1/C6H14N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m1/s1/f/h9H", "name": "(2R,3R)-3-Methylornithine", "names": [ "(2R,3R)-3-Methylornithine" ] }, { "compound_id": "C20278", "inchi": "InChI=1/C12H26N4O3/c1-8(5-6-13)10(15)11(17)16-7-3-2-4-9(14)12(18)19/h8-10H,2-7,13-15H2,1H3,(H,16,17)(H,18,19)/t8-,9+,10-/m1/s1/f/h16,18H", "name": "(2R,3R)-3-Methylornithinyl-N6-lysine", "names": [ "(2R,3R)-3-Methylornithinyl-N6-lysine" ] }, { "compound_id": "C20279", "inchi": "InChI=1/C12H23N3O4/c1-8(5-7-16)10(14)11(17)15-6-3-2-4-9(13)12(18)19/h7-10H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t8-,9+,10-/m1/s1/f/h15,18H", "name": "(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine", "names": [ "(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine" ] }, { "compound_id": "C20307", "inchi": "InChI=1/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8,11,13-16H,3-7,9H2,1-2H3/t11-,13+,14+,15+/m1/s1", "name": "Artemisinic alcohol", "names": [ "Artemisinic alcohol" ] }, { "compound_id": "C20308", "inchi": "InChI=1/C15H22O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11,13-15H,3-7H2,1-2H3/t11-,13+,14+,15+/m1/s1", "name": "Artemisinic aldehyde", "names": [ "Artemisinic aldehyde" ] }, { "compound_id": "C20309", "inchi": "InChI=1/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)/t10-,12+,13+,14+/m1/s1/f/h16H", "name": "Artemisinate", "names": [ "Artemisinate" ] }, { "compound_id": "C20310", "inchi": "InChI=1/C6H13NO3/c1-3-4(2)5(7-10)6(8)9/h4-5,7,10H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h8H", "name": "N-Hydroxy-L-isoleucine", "names": [ "N-Hydroxy-L-isoleucine" ] }, { "compound_id": "C20311", "inchi": "InChI=1/C6H13NO4/c1-3-4(2)5(6(8)9)7(10)11/h4-5,10-11H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h8H", "name": "N,N-Dihydroxy-L-isoleucine", "names": [ "N,N-Dihydroxy-L-isoleucine" ] }, { "compound_id": "C20312", "inchi": "InChI=1/C5H11NO/c1-3-5(2)4-6-7/h4-5,7H,3H2,1-2H3/b6-4-/t5-/m0/s1", "name": "(Z)-2-Methylbutanal oxime", "names": [ "(Z)-2-Methylbutanal oxime" ] }, { "compound_id": "C20313", "inchi": "InChI=1/C5H11NO3/c1-3(2)4(6-9)5(7)8/h3-4,6,9H,1-2H3,(H,7,8)/t4-/m0/s1/f/h7H", "name": "N-Hydroxy-L-valine", "names": [ "N-Hydroxy-L-valine" ] }, { "compound_id": "C20314", "inchi": "InChI=1/C5H11NO4/c1-3(2)4(5(7)8)6(9)10/h3-4,9-10H,1-2H3,(H,7,8)/t4-/m0/s1/f/h7H", "name": "N,N-Dihydroxy-L-valine", "names": [ "N,N-Dihydroxy-L-valine" ] }, { "compound_id": "C20315", "inchi": "InChI=1/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3/b5-3-", "name": "(Z)-2-Methylpropanal oxime", "names": [ "(Z)-2-Methylpropanal oxime" ] }, { "compound_id": "C20320", "inchi": "InChI=1/C10H14O2/c1-9(2)6-4-7(11)10(9,3)8(12)5-6/h6H,4-5H2,1-3H3/t6?,10-", "name": "Bornane-2,6-dione", "names": [ "Bornane-2,6-dione" ] }, { "compound_id": "C20321", "inchi": "InChI=1/C31H48N7O19P3S/c1-16-10-20(40)55-18(31(16,4)5)11-21(41)61-9-8-33-19(39)6-7-34-28(44)25(43)30(2,3)13-53-60(50,51)57-59(48,49)52-12-17-24(56-58(45,46)47)23(42)29(54-17)38-15-37-22-26(32)35-14-36-27(22)38/h10,14-15,17-18,23-25,29,42-43H,6-9,11-13H2,1-5H3,(H,33,39)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17-,18-,23-,24-,25+,29-/m1/s1/f/h33-34,45-46,48,50H,32H2", "name": "[(2R)-3,3,4-Trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA", "names": [ "[(2R)-3,3,4-Trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA" ] }, { "compound_id": "C20322", "inchi": "InChI=1/C10H16O2/c1-9(2)6-4-7(11)10(9,3)8(12)5-6/h6-7,11H,4-5H2,1-3H3/t6?,7?,10-/m0/s1", "name": "(+)-6-exo-Hydroxycamphor", "names": [ "(+)-6-exo-Hydroxycamphor" ] }, { "compound_id": "C20324", "inchi": "InChI=1/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13)/t6?,7-/m0/s1/f/h12H", "name": "[(1S)-4-Hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate", "names": [ "[(1S)-4-Hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate" ] }, { "compound_id": "C20325", "inchi": "InChI=1/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11-15H,4-7H2,1-3H3/t11-,12+,13+,14+,15+/m1/s1", "name": "(11R)-Dihydroartemisinic aldehyde", "names": [ "(11R)-Dihydroartemisinic aldehyde" ] }, { "compound_id": "C20326", "inchi": "InChI=1/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3", "name": "2-exo-Hydroxy-1,8-cineole", "names": [ "2-exo-Hydroxy-1,8-cineole" ] }, { "compound_id": "C20327", "inchi": "InChI=1/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)/f/h12H", "name": "2-Oxo-4-phenylbutyric acid", "names": [ "2-Oxo-4-phenylbutyric acid" ] }, { "compound_id": "C20328", "inchi": "InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1/f/h9H", "name": "N-Acetyl-alpha-D-glucosamine", "names": [ "N-Acetyl-alpha-D-glucosamine" ] }, { "compound_id": "C20329", "inchi": "InChI=1/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-18,21-22H,5-6,8-11H2,1-4H3/t16-,17+,19+,20+/m0/s1", "name": "Abieta-7,13-dien-18,18-diol", "names": [ "Abieta-7,13-dien-18,18-diol" ] }, { "compound_id": "C20330", "inchi": "InChI=1/C6H14N4O3/c7-3(5(12)13)1-2-4(11)10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4?/m0/s1/f/h8,10,12H,9H2", "name": "L-Hydroxyarginine", "names": [ "L-Hydroxyarginine" ] }, { "compound_id": "C20331", "inchi": "InChI=1/C40H56O/c1-29(21-23-35-33(5)19-13-25-39(35,7)8)15-11-17-31(3)27-37-38(41-37)28-32(4)18-12-16-30(2)22-24-36-34(6)20-14-26-40(36,9)10/h11-12,15-18,21-24,27-28,37-38H,13-14,19-20,25-26H2,1-10H3/b17-11+,18-12+,23-21+,24-22+,29-15+,30-16+,31-27+,32-28+", "name": "beta-Carotene-15,15'-epoxide", "names": [ "beta-Carotene-15,15'-epoxide" ] }, { "compound_id": "C20332", "inchi": "InChI=1/C40H58O2/c1-29(21-23-35-33(5)19-13-25-39(35,7)8)15-11-17-31(3)27-37(41)38(42)28-32(4)18-12-16-30(2)22-24-36-34(6)20-14-26-40(36,9)10/h11-12,15-18,21-24,27-28,37-38,41-42H,13-14,19-20,25-26H2,1-10H3/b17-11+,18-12+,23-21+,24-22+,29-15+,30-16+,31-27+,32-28+", "name": "15,15'-Dihydroxy-beta-carotene", "names": [ "15,15'-Dihydroxy-beta-carotene" ] }, { "compound_id": "C20333", "inchi": "InChI=1/C14H22N2O10/c1-8(17)16(26)5-3-2-4-9(12(21)22)15-10(18)6-14(25,13(23)24)7-11(19)20/h9,25-26H,2-7H2,1H3,(H,15,18)(H,19,20)(H,21,22)(H,23,24)/t9-,14?/m0/s1/f/h15,19,21,23H", "name": "N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine", "names": [ "N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine" ] }, { "compound_id": "C20345", "inchi": "InChI=1/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)/f/h6-7H", "name": "Isopentenyl phosphate", "names": [ "Isopentenyl phosphate" ] }, { "compound_id": "C20350", "inchi": "InChI=1/C12H25N3O7/c13-2-5-7(17)8(18)10(20)12(21-5)22-11-4(15)1-3(14)6(16)9(11)19/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6+,7-,8+,9-,10-,11-,12-/m1/s1", "name": "2'-Deamino-2'-hydroxyneamine", "names": [ "2'-Deamino-2'-hydroxyneamine" ] }, { "compound_id": "C20351", "inchi": "InChI=1/C12H22N2O8/c13-3-1-4(14)11(9(19)6(3)16)22-12-10(20)8(18)7(17)5(2-15)21-12/h2-12,16-20H,1,13-14H2/t3-,4+,5-,6+,7-,8+,9-,10-,11-,12-/m1/s1", "name": "2'-Deamino-2'-hydroxy-6'-dehydroparomamine", "names": [ "2'-Deamino-2'-hydroxy-6'-dehydroparomamine" ] }, { "compound_id": "C20352", "inchi": "InChI=1/C55H92O11P2/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-63-68(61,62)66-55-54(57)53(56)52(65-55)41-64-67(58,59)60/h21,23,25,27,29,31,33,35,37,39,52-57H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,61,62)(H2,58,59,60)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,54-,55+/m1/s1/f/h58-59,61H", "name": "trans,octacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate", "names": [ "trans,octacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate" ] }, { "compound_id": "C20353", "inchi": "InChI=1/C12H24N2O8/c13-3-1-4(14)11(9(19)6(3)16)22-12-10(20)8(18)7(17)5(2-15)21-12/h3-12,15-20H,1-2,13-14H2/t3-,4+,5-,6+,7-,8+,9-,10-,11-,12-/m1/s1", "name": "2'-Deamino-2'-hydroxyparomamine", "names": [ "2'-Deamino-2'-hydroxyparomamine" ] }, { "compound_id": "C20354", "inchi": "InChI=1/C12H22O10/c1-3-5(14)10(9(18)11(19)20-3)22-12-8(17)7(16)6(15)4(2-13)21-12/h3-19H,2H2,1H3/t3-,4+,5-,6+,7-,8+,9+,10+,11?,12+/m0/s1", "name": "3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose", "names": [ "3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose" ] }, { "compound_id": "C20357", "inchi": "InChI=1/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/t7-,10-,12-,13-,14-,15+,16-,17-,18-/m1/s1/f/h20-22,31,33H", "name": "UDP-N,N'-Diacetylbacillosamine", "names": [ "UDP-N,N'-Diacetylbacillosamine" ] }, { "compound_id": "C20359", "inchi": "InChI=1/C17H26N4O17P2/c1-5(22)19-9-8(18)11(25)13(15(27)28)36-16(9)37-40(32,33)38-39(30,31)34-4-6-10(24)12(26)14(35-6)21-3-2-7(23)20-17(21)29/h2-3,6,8-14,16,24-26H,4,18H2,1H3,(H,19,22)(H,27,28)(H,30,31)(H,32,33)(H,20,23,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1/f/h19-20,27,30,32H", "name": "UDP-2-acetamido-3-amino-2,3-dideoxy-alpha-D-glucuronate", "names": [ "UDP-2-acetamido-3-amino-2,3-dideoxy-alpha-D-glucuronate" ] }, { "compound_id": "C20361", "inchi": "InChI=1/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3", "name": "Pseudooxynicotine", "names": [ "Pseudooxynicotine" ] }, { "compound_id": "C20366", "inchi": "InChI=1/C7H4O5/c8-5(7(10)11)3-4-1-2-6(9)12-4/h1-3H,(H,10,11)/b4-3-/f/h10H", "name": "2-Oxo-3-(5-oxofuran-2-ylidene)propanoate", "names": [ "2-Oxo-3-(5-oxofuran-2-ylidene)propanoate" ] }, { "compound_id": "C20367", "inchi": "InChI=1/C7H5NO7/c9-5(7(12)13)3-4(8(14)15)1-2-6(10)11/h1-3H,(H,10,11)(H,12,13)/b2-1+,4-3+/f/h10,12H", "name": "4-Nitro-6-oxohepta-2,4-dienedioate", "names": [ "4-Nitro-6-oxohepta-2,4-dienedioate" ] }, { "compound_id": "C20368", "inchi": "InChI=1/C55H91O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-58H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,54-,55+/m1/s1/f/h59H", "name": "trans,octacis-Decaprenylphospho-beta-D-ribofuranose", "names": [ "trans,octacis-Decaprenylphospho-beta-D-ribofuranose" ] }, { "compound_id": "C20369", "inchi": "InChI=1/C55H89O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-53,55-57H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,55+/m1/s1/f/h59H", "name": "trans,octacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose", "names": [ "trans,octacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose" ] }, { "compound_id": "C20370", "inchi": "InChI=1/C55H91O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-58H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,54+,55+/m1/s1/f/h59H", "name": "trans,octacis-Decaprenylphospho-beta-D-arabinofuranose", "names": [ "trans,octacis-Decaprenylphospho-beta-D-arabinofuranose" ] }, { "compound_id": "C20371", "inchi": "InChI=1/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3/t6?,7?,9-/m1/s1", "name": "Ecgonone methyl ester", "names": [ "Ecgonone methyl ester" ] }, { "compound_id": "C20379", "inchi": "InChI=1/C16H18N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8-9,13,15,17-18H,7H2,1-2H3/b10-6+/t13-,15-/m1/s1", "name": "Chanoclavine-I aldehyde", "names": [ "Chanoclavine-I aldehyde" ] }, { "compound_id": "C20380", "inchi": "InChI=1/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+/f/h18H", "name": "Mycophenolate", "names": [ "Mycophenolate" ] }, { "compound_id": "C20381", "inchi": "InChI=1/C10H8N2O6/c13-5-1-3(7(15)11-9(5)17)4-2-6(14)10(18)12-8(4)16/h1-2,13-14H,(H2,11,15,17)(H2,12,16,18)/f/h15-18H", "name": "3,3'-Bipyridine-2,2',5,5',6,6'-hexol", "names": [ "3,3'-Bipyridine-2,2',5,5',6,6'-hexol" ] }, { "compound_id": "C20382", "inchi": "InChI=1/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)/f/h4-5H", "name": "Imidazol-2-one", "names": [ "Imidazol-2-one" ] }, { "compound_id": "C20383", "inchi": "InChI=1/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m0/s1/f/h29H", "name": "Mycophenolic acid O-acyl-glucuronide", "names": [ "Mycophenolic acid O-acyl-glucuronide" ] }, { "compound_id": "C20386", "inchi": "InChI=1/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17?/m0/s1/f/h11-13H", "name": "Biotin sulfoxide", "names": [ "Biotin sulfoxide" ] }, { "compound_id": "C20390", "inchi": "InChI=1/C58H97NO12P2/c1-43(2)22-13-23-44(3)24-14-25-45(4)26-15-27-46(5)28-16-29-47(6)30-17-31-48(7)32-18-33-49(8)34-19-35-50(9)36-20-37-51(10)38-21-39-52(11)40-41-68-72(64,65)71-73(66,67)70-58-55(59-53(12)61)57(63)56(62)54(42-60)69-58/h22,24,26,28,30,32,34,36,38,40,54-58,60,62-63H,13-21,23,25,27,29,31,33,35,37,39,41-42H2,1-12H3,(H,59,61)(H,64,65)(H,66,67)/b44-24+,45-26-,46-28-,47-30-,48-32-,49-34-,50-36-,51-38-,52-40-/t54-,55-,56-,57-,58-/m1/s1/f/h59,64,66H", "name": "N-Acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol", "names": [ "N-Acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol" ] }, { "compound_id": "C20394", "inchi": "InChI=1/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1/f/h30-31,42-43,45,47H,29H2", "name": "2-Hydroxybenzoyl-CoA", "names": [ "2-Hydroxybenzoyl-CoA" ] }, { "compound_id": "C20395", "inchi": "InChI=1/C17H23N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-9,11-14,16,23,25-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,11+,12-,13+,14-,16-/m1/s1/f/h18-19,27,30,32H", "name": "UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate", "names": [ "UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate" ] }, { "compound_id": "C20396", "inchi": "InChI=1/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)/f/h2-3H", "name": "Methylphosphonate", "names": [ "Methylphosphonate" ] }, { "compound_id": "C20397", "inchi": "InChI=1/C15H18O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,16,17)/t8-,10+,14-,15-/m1/s1/f/h16H", "name": "Pentalenolactone F", "names": [ "Pentalenolactone F" ] }, { "compound_id": "C20398", "inchi": "InChI=1/C15H18O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,9,11H,1,5-7H2,2-3H3,(H,16,17)/t9-,11+,15-/m1/s1/f/h16H", "name": "Pentalenolactone E", "names": [ "Pentalenolactone E" ] }, { "compound_id": "C20399", "inchi": "InChI=1/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/t8-,9-,11+,15-/m1/s1/f/h16H", "name": "Pentalenolactone D", "names": [ "Pentalenolactone D" ] }, { "compound_id": "C20400", "inchi": "InChI=1/C15H20O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/t8-,9-,11+,15?/m1/s1/f/h17H", "name": "1-Deoxy-11-oxopentalenate", "names": [ "1-Deoxy-11-oxopentalenate" ] }, { "compound_id": "C20402", "inchi": "InChI=1/C15H20O4/c1-8-15-7-14(2,3)6-9(15)4-10(13(17)18)11(15)5-12(16)19-8/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/t8-,9+,11-,15+/m0/s1/f/h17H", "name": "Neopentalenolactone D", "names": [ "Neopentalenolactone D" ] }, { "compound_id": "C20403", "inchi": "InChI=1/C15H22O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,18)/t8-,9-,11+,12-,15?/m1/s1/f/h17H", "name": "1-Deoxy-11beta-hydroxypentalenate", "names": [ "1-Deoxy-11beta-hydroxypentalenate" ] }, { "compound_id": "C20404", "inchi": "InChI=1/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t9-,10-,12+,15?/m1/s1/f/h16H", "name": "1-Deoxypentalenate", "names": [ "1-Deoxypentalenate" ] }, { "compound_id": "C20405", "inchi": "InChI=1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t8-,10+,11-,12-,15?/m1/s1", "name": "Pentalenate", "names": [ "Pentalenate" ] }, { "compound_id": "C20406", "inchi": "InChI=1/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12+/f/h25H", "name": "Cannabigerolate", "names": [ "Cannabigerolate" ] }, { "compound_id": "C20407", "inchi": "InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1", "name": "Pentalenolactone", "names": [ "Pentalenolactone" ] }, { "compound_id": "C20408", "inchi": "InChI=1/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13-,15-/m1/s1", "name": "Festuclavine", "names": [ "Festuclavine" ] }, { "compound_id": "C20409", "inchi": "InChI=1/C16H19N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8-10,13,15,17H,6-7H2,1-2H3/q+1/t10?,13-,15-/m1/s1", "name": "6,8-Dimethyl-6,7-didehydroergoline", "names": [ "6,8-Dimethyl-6,7-didehydroergoline" ] }, { "compound_id": "C20410", "inchi": "InChI=1/C17H22N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-7,10,15,18-19H,8-9H2,1-3H3,(H,20,21)/t15-/m0/s1/f/h20H", "name": "4-Dimethylallyl-L-abrine", "names": [ "4-Dimethylallyl-L-abrine" ] }, { "compound_id": "C20411", "inchi": "InChI=1/C31H52/c1-25(2)15-12-18-29(7)21-13-19-27(5)16-10-11-17-28(6)20-14-22-30(8)23-24-31(9)26(3)4/h15-17,21-22,31H,3,10-14,18-20,23-24H2,1-2,4-9H3/b27-16+,28-17+,29-21+,30-22+", "name": "3-Methyl-1,2-didehydro-2,3-dihydrosqualene", "names": [ "3-Methyl-1,2-didehydro-2,3-dihydrosqualene" ] }, { "compound_id": "C20412", "inchi": "InChI=1/C32H54/c1-25(2)31(9)23-21-29(7)19-13-17-27(5)15-11-12-16-28(6)18-14-20-30(8)22-24-32(10)26(3)4/h15-16,19-20,31-32H,1,3,11-14,17-18,21-24H2,2,4-10H3/b27-15+,28-16+,29-19+,30-20+", "name": "3,22-Dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene", "names": [ "3,22-Dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene" ] }, { "compound_id": "C20413", "inchi": "InChI=1/C33H52N7O20P3S/c1-4-5-6-7-19(41)12-20(42)13-21(43)14-24(45)64-11-10-35-23(44)8-9-36-31(48)28(47)33(2,3)16-57-63(54,55)60-62(52,53)56-15-22-27(59-61(49,50)51)26(46)32(58-22)40-18-39-25-29(34)37-17-38-30(25)40/h17-18,22,26-28,32,46-47H,4-16H2,1-3H3,(H,35,44)(H,36,48)(H,52,53)(H,54,55)(H2,34,37,38)(H2,49,50,51)/t22-,26-,27-,28+,32-/m1/s1/f/h35-36,49-50,52,54H,34H2", "name": "3,5,7-Trioxododecanoyl-CoA", "names": [ "3,5,7-Trioxododecanoyl-CoA" ] }, { "compound_id": "C20414", "inchi": "InChI=1/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H", "name": "4-Hydroxycoumarin", "names": [ "4-Hydroxycoumarin" ] }, { "compound_id": "C20415", "inchi": "InChI=1/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)14(24)13(8(2)33-17)19-9(3)22/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1/f/h19-20,28,30H", "name": "dTDP-4-acetamido-4,6-dideoxy-alpha-D-galactose", "names": [ "dTDP-4-acetamido-4,6-dideoxy-alpha-D-galactose" ] }, { "compound_id": "C20416", "inchi": "InChI=1/C64H107NO16P2/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-76-82(72,73)81-83(74,75)80-63-57(65-55(13)67)62(59(69)56(43-66)78-63)79-64-61(71)60(70)58(68)54(12)77-64/h23,25,27,29,31,33,35,37,39,41,54,56-64,66,68-71H,14-22,24,26,28,30,32,34,36,38,40,42-43H2,1-13H3,(H,65,67)(H,72,73)(H,74,75)/b45-25+,46-27-,47-29-,48-31-,49-33-,50-35-,51-37-,52-39-,53-41-/t54-,56+,57+,58-,59+,60+,61+,62+,63+,64-/m0/s1/f/h65,72,74H", "name": "alpha-L-Rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol", "names": [ "alpha-L-Rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol" ] }, { "compound_id": "C20417", "inchi": "InChI=1/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)/f/h15H", "name": "2,4-Dihydroxy-6-pentylbenzoate", "names": [ "2,4-Dihydroxy-6-pentylbenzoate" ] }, { "compound_id": "C20418", "inchi": "InChI=1/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8+,9-,10-,11+,13+/m1/s1/f/h14-15,20H", "name": "N,N'-Diacetyllegionaminate", "names": [ "N,N'-Diacetyllegionaminate" ] }, { "compound_id": "C20419", "inchi": "InChI=1/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/t8-,11+,12-,14-,15-,16-,17-,18+,19-,22-/m1/s1/f/h24-25,34,37H,23H2", "name": "CMP-N,N'-diacetyllegionaminate", "names": [ "CMP-N,N'-diacetyllegionaminate" ] }, { "compound_id": "C20420", "inchi": "InChI=1/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-/f/h56-57H", "name": "tritrans,heptacis-Undecaprenyl phosphate", "names": [ "tritrans,heptacis-Undecaprenyl phosphate" ] }, { "compound_id": "C20421", "inchi": "InChI=1/C65H108N2O11P2/c1-48(2)26-16-27-49(3)28-17-29-50(4)30-18-31-51(5)32-19-33-52(6)34-20-35-53(7)36-21-37-54(8)38-22-39-55(9)40-23-41-56(10)42-24-43-57(11)44-25-45-58(12)46-47-75-79(71,72)78-80(73,74)77-65-63(67-61(15)69)64(70)62(59(13)76-65)66-60(14)68/h26,28,30,32,34,36,38,40,42,44,46,59,62-65,70H,16-25,27,29,31,33,35,37,39,41,43,45,47H2,1-15H3,(H,66,68)(H,67,69)(H,71,72)(H,73,74)/b49-28+,50-30+,51-32+,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-,58-46-/t59-,62-,63-,64+,65-/m1/s1/f/h66-67,71,73H", "name": "N,N'-Diacetyl-alpha-D-bacillosaminyldiphospho-tritrans,heptacis-undecaprenol", "names": [ "N,N'-Diacetyl-alpha-D-bacillosaminyldiphospho-tritrans,heptacis-undecaprenol" ] }, { "compound_id": "C20422", "inchi": "InChI=1/C6H16O16P4/c1-23(9,10)20-6-5(8)4(7)3(19-6)2-18-25(14,15)22-26(16,17)21-24(11,12)13/h3-8H,2H2,1H3,(H,9,10)(H,14,15)(H,16,17)(H2,11,12,13)/t3-,4-,5-,6-/m1/s1/f/h9,11-12,14,16H", "name": "alpha-D-Ribose 1-methylphosphonate 5-triphosphate", "names": [ "alpha-D-Ribose 1-methylphosphonate 5-triphosphate" ] }, { "compound_id": "C20423", "inchi": "InChI=1/C6H14O10P2/c1-17(9,10)16-6-5(8)4(7)3(15-6)2-14-18(11,12)13/h3-8H,2H2,1H3,(H,9,10)(H2,11,12,13)/t3-,4-,5-,6-/m1/s1/f/h9,11-12H", "name": "alpha-D-Ribose 1-methylphosphonate 5-phosphate", "names": [ "alpha-D-Ribose 1-methylphosphonate 5-phosphate" ] }, { "compound_id": "C20424", "inchi": "InChI=1/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8+,9+,10+/m1/s1/f/h11-12H", "name": "2,4-Diacetamido-2,4,6-trideoxy-D-mannopyranose", "names": [ "2,4-Diacetamido-2,4,6-trideoxy-D-mannopyranose" ] }, { "compound_id": "C20427", "inchi": "InChI=1/C73H121N3O16P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-87-93(83,84)92-94(85,86)91-73-68(76-64(16)80)71(66(61(13)88-73)74-62(14)78)90-72-67(75-63(15)79)70(82)69(81)65(49-77)89-72/h27,29,31,33,35,37,39,41,43,45,47,61,65-73,77,81-82H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,74,78)(H,75,79)(H,76,80)(H,83,84)(H,85,86)/b51-29+,52-31+,53-33+,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66-,67-,68-,69+,70-,71+,72-,73-/m1/s1/f/h74-76,83,85H", "name": "N-Acetyl-D-galactosaminyl-alpha-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyldiphospho-tritrans,heptacis-undecaprenol", "names": [ "N-Acetyl-D-galactosaminyl-alpha-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyldiphospho-tritrans,heptacis-undecaprenol" ] }, { "compound_id": "C20432", "inchi": "InChI=1/C30H50/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h10,15-16,19,21-22,24,29H,1,11-14,17-18,20,23H2,2-9H3/b24-22+,27-19+,28-21+/t29-,30?/m1/s1", "name": "C30 Botryococcene", "names": [ "C30 Botryococcene" ] }, { "compound_id": "C20433", "inchi": "InChI=1/C31H52/c1-11-31(10,23-14-19-27(6)16-12-15-25(2)3)24-22-29(8)18-13-17-28(7)20-21-30(9)26(4)5/h11,15,17,19,22,24,29-30H,1,4,12-14,16,18,20-21,23H2,2-3,5-10H3/b24-22+,27-19+,28-17+/t29-,30?,31?/m1/s1", "name": "3-Methyl-1,2-didehydro-2,3-dihydrobotryococcene", "names": [ "3-Methyl-1,2-didehydro-2,3-dihydrobotryococcene" ] }, { "compound_id": "C20434", "inchi": "InChI=1/C31H52/c1-11-31(10,23-14-19-28(7)20-21-30(9)26(4)5)24-22-29(8)18-13-17-27(6)16-12-15-25(2)3/h11,15,17,19,22,24,29-30H,1,4,12-14,16,18,20-21,23H2,2-3,5-10H3/b24-22+,27-17+,28-19+/t29-,30?,31?/m1/s1", "name": "20-Methyl-21,22-didehydro-20,21-dihydrobotryococcene", "names": [ "20-Methyl-21,22-didehydro-20,21-dihydrobotryococcene" ] }, { "compound_id": "C20435", "inchi": "InChI=1/C32H54/c1-12-32(11,23-14-17-28(7)19-21-31(10)26(4)5)24-22-29(8)16-13-15-27(6)18-20-30(9)25(2)3/h12,15,17,22,24,29-31H,1-2,4,13-14,16,18-21,23H2,3,5-11H3/b24-22+,27-15+,28-17+/t29-,30?,31?,32?/m1/s1", "name": "3,20-Dimethyl-1,2,21,22-tetradehydro-2,3,20,21-tetrahydrobotryococcene", "names": [ "3,20-Dimethyl-1,2,21,22-tetradehydro-2,3,20,21-tetrahydrobotryococcene" ] }, { "compound_id": "C20436", "inchi": "InChI=1/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15-,17-,18+/m1/s1", "name": "Fumigaclavine A", "names": [ "Fumigaclavine A" ] }, { "compound_id": "C20437", "inchi": "InChI=1/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3/t9-,13-,15-,16+/m1/s1", "name": "Fumigaclavine B", "names": [ "Fumigaclavine B" ] }, { "compound_id": "C20438", "inchi": "InChI=1/C23H30N2O2/c1-7-23(4,5)22-16-11-18-20(15-9-8-10-17(24-22)19(15)16)21(27-14(3)26)13(2)12-25(18)6/h7-10,13,18,20-21,24H,1,11-12H2,2-6H3/t13-,18-,20-,21+/m1/s1", "name": "Fumigaclavine C", "names": [ "Fumigaclavine C" ] }, { "compound_id": "C20440", "inchi": "InChI=1/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1/f/h7-8,10H", "name": "alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate", "names": [ "alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate" ] }, { "compound_id": "C20441", "inchi": "InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2", "name": "Furfuryl alcohol", "names": [ "Furfuryl alcohol" ] }, { "compound_id": "C20443", "inchi": "InChI=1/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2", "name": "5-Hydroxymethylfurfuryl alcohol", "names": [ "5-Hydroxymethylfurfuryl alcohol" ] }, { "compound_id": "C20444", "inchi": "InChI=1/C17H12O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-3,6-7,17-19H,4-5H2/t7-,17+/m0/s1", "name": "Dihydrodemethylsterigmatocystin", "names": [ "Dihydrodemethylsterigmatocystin" ] }, { "compound_id": "C20445", "inchi": "InChI=1/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3/t8-,18+/m0/s1", "name": "Dihydrosterigmatocystin", "names": [ "Dihydrosterigmatocystin" ] }, { "compound_id": "C20447", "inchi": "InChI=1/C26H40N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,38-39H,3-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t14-,18-,19-,20+,24-/m1/s1/f/h28-29,36,42-43,45,47H,27H2", "name": "2-Oxoglutaryl-CoA", "names": [ "2-Oxoglutaryl-CoA" ] }, { "compound_id": "C20448", "inchi": "InChI=1/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)/f/h8H", "name": "5-Hydroxymethyl-2-furoate", "names": [ "5-Hydroxymethyl-2-furoate" ] }, { "compound_id": "C20449", "inchi": "InChI=1/C6H4O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)/f/h8H", "name": "5-Formyl-2-furoate", "names": [ "5-Formyl-2-furoate" ] }, { "compound_id": "C20450", "inchi": "InChI=1/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)/f/h7,9H", "name": "2,5-Furandicarboxylate", "names": [ "2,5-Furandicarboxylate" ] }, { "compound_id": "C20452", "inchi": "InChI=1/C20H18O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,21,23-24,27H,2-5H2,1H3", "name": "Norsolorinic acid", "names": [ "Norsolorinic acid" ] }, { "compound_id": "C20453", "inchi": "InChI=1/C20H20O6/c1-2-3-4-5-13(22)18-14(23)8-11-6-10-7-12(21)9-15(24)16(10)19(25)17(11)20(18)26/h7-9,21,23-24,26H,2-6H2,1H3", "name": "Norsolorinic acid anthrone", "names": [ "Norsolorinic acid anthrone" ] }, { "compound_id": "C20454", "inchi": "InChI=1/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1", "name": "(-)-Lariciresinol", "names": [ "(-)-Lariciresinol" ] }, { "compound_id": "C20455", "inchi": "InChI=1/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1", "name": "(-)-Pinoresinol", "names": [ "(-)-Pinoresinol" ] }, { "compound_id": "C20456", "inchi": "InChI=1/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1", "name": "(+)-Secoisolariciresinol", "names": [ "(+)-Secoisolariciresinol" ] }, { "compound_id": "C20457", "inchi": "InChI=1/C16H17N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8-9,13,15,17H,7H2,1-2H3/q+1/t13-,15-/m1/s1", "name": "6,8-Dimethyl-6,7,8,9-tetradehydroergoline", "names": [ "6,8-Dimethyl-6,7,8,9-tetradehydroergoline" ] }, { "compound_id": "C20462", "inchi": "InChI=1/C10H8O4/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4,11,13H,1H3", "name": "5,7-Dihydroxy-2-methyl-4H-chromen-4-one", "names": [ "5,7-Dihydroxy-2-methyl-4H-chromen-4-one" ] }, { "compound_id": "C20463", "inchi": "InChI=1/C10H12N4O3/c15-3-8-7(16)1-9(17-8)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15-16H,1,3H2/t7-,8+,9+/m0/s1", "name": "Purine deoxyribonucleoside", "names": [ "Purine deoxyribonucleoside" ] }, { "compound_id": "C20464", "inchi": "InChI=1/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2-7,10H,1H3/b3-2+", "name": "Isochavicol", "names": [ "Isochavicol" ] }, { "compound_id": "C20465", "inchi": "InChI=1/C11H12O3/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10/h2-7,13H,8H2,1H3/b3-2+", "name": "Coumaryl acetate", "names": [ "Coumaryl acetate" ] }, { "compound_id": "C20466", "inchi": "InChI=1/C46H78NO8P/c1-36(2)17-11-19-38(5)21-13-23-40(7)25-15-27-42(9)29-31-52-33-44(34-54-56(50,51)55-35-45(47)46(48)49)53-32-30-43(10)28-16-26-41(8)24-14-22-39(6)20-12-18-37(3)4/h17-18,21-22,25-26,29-30,44-45H,11-16,19-20,23-24,27-28,31-35,47H2,1-10H3,(H,48,49)(H,50,51)/b38-21+,39-22+,40-25+,41-26+,42-29+,43-30+/t44-,45-/m0/s1/f/h48,50H", "name": "2,3-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine", "names": [ "2,3-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine" ] }, { "compound_id": "C20468", "inchi": "InChI=1/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20+,21+,22-,24-,25+,26-/m1/s1/fC26H29O15/h28-31H/q+1", "name": "Cyanidin 3-O-(beta-D-xylosyl-(1->2)-beta-D-galactoside)", "names": [ "Cyanidin 3-O-(beta-D-xylosyl-(1->2)-beta-D-galactoside)" ] }, { "compound_id": "C20469", "inchi": "InChI=1/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-16(41-27-24(38)22(36)20(34)18(8-29)43-27)25(40-15(11)5-10)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1/fC27H31O16/h30-32H/q+1", "name": "Cyanidin 3,7-di-O-beta-D-glucoside", "names": [ "Cyanidin 3,7-di-O-beta-D-glucoside" ] }, { "compound_id": "C20470", "inchi": "InChI=1/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1", "name": "1-O-Vanilloyl-beta-D-glucose", "names": [ "1-O-Vanilloyl-beta-D-glucose" ] }, { "compound_id": "C20475", "inchi": "InChI=1/C35H58O/c1-24-10-13-26(14-11-24)25(2)12-15-30-34(7)22-17-28-32(5)20-9-19-31(3,4)27(32)16-21-33(28,6)29(34)18-23-35(30,8)36/h10,14,25,27-30,36H,9,11-13,15-23H2,1-8H3/t25-,27+,28-,29+,30-,32+,33-,34+,35-/m1/s1", "name": "Sporulenol", "names": [ "Sporulenol" ] }, { "compound_id": "C20476", "inchi": "InChI=1/C15H24/c1-10-7-11-8-14(2,3)9-13(11)15(4)6-5-12(10)15/h11,13H,5-9H2,1-4H3/t11-,13+,15+/m1/s1", "name": "Delta6-Protoilludene", "names": [ "Delta6-Protoilludene" ] }, { "compound_id": "C20477", "inchi": "InChI=1/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h10-11H,5-9H2,1-4H3/t11-,13+,14+,15-/m1/s1", "name": "(-)-alpha-Isocomene", "names": [ "(-)-alpha-Isocomene" ] }, { "compound_id": "C20478", "inchi": "InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1", "name": "(E)-2-epi-beta-Caryophyllene", "names": [ "(E)-2-epi-beta-Caryophyllene" ] }, { "compound_id": "C20479", "inchi": "InChI=1/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15-/m0/s1", "name": "(+)-epi-alpha-Bisabolol", "names": [ "(+)-epi-alpha-Bisabolol" ] }, { "compound_id": "C20480", "inchi": "InChI=1/C15H24/c1-10(2)9-13-7-5-11(3)14-8-6-12(4)15(13)14/h9,11,13-14H,5-8H2,1-4H3/t11-,13+,14-/m1/s1", "name": "Valerena-4,7(11)-diene", "names": [ "Valerena-4,7(11)-diene" ] }, { "compound_id": "C20481", "inchi": "InChI=1/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9-/t16-,17+,19-,20+/m0/s1", "name": "cis-Abienol", "names": [ "cis-Abienol" ] }, { "compound_id": "C20482", "inchi": "InChI=1/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/f/h35,37H,22-23H2", "name": "(6R)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide", "names": [ "(6R)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide" ] }, { "compound_id": "C20483", "inchi": "InChI=1/C21H32N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)10(44-21)5-42-49(39,40)46-48(37,38)41-4-9-13(30)15(32)20(43-9)27-3-8(18(23)33)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-32H,1-2,4-5H2,(H2,23,33)(H,37,38)(H,39,40)(H2,22,24,25)(H2,34,35,36)/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/f/h34-35,37,39H,22-23H2", "name": "(6R)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphate", "names": [ "(6R)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphate" ] }, { "compound_id": "C20484", "inchi": "InChI=1/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+", "name": "9-cis-beta-Carotene", "names": [ "9-cis-beta-Carotene" ] }, { "compound_id": "C20485", "inchi": "InChI=1/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m0/s1/f/h8,10H", "name": "(4S)-4-Hydroxy-2-oxoglutarate", "names": [ "(4S)-4-Hydroxy-2-oxoglutarate" ] }, { "compound_id": "C20486", "inchi": "InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15-/m1/s1", "name": "7-Epizingiberene", "names": [ "7-Epizingiberene" ] }, { "compound_id": "C20487", "inchi": "InChI=1/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1/f/h11H", "name": "L-beta-Phenylalanine", "names": [ "L-beta-Phenylalanine" ] }, { "compound_id": "C20488", "inchi": "InChI=1/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h11H", "name": "D-beta-Phenylalanine", "names": [ "D-beta-Phenylalanine" ] }, { "compound_id": "C20489", "inchi": "InChI=1/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1/fC26H29O14/h28-30H/q+1", "name": "Pelargonidin 3-O-beta-D-sambubioside", "names": [ "Pelargonidin 3-O-beta-D-sambubioside" ] }, { "compound_id": "C20490", "inchi": "InChI=1/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1/fC26H29O15/h28-31H/q+1", "name": "Cyanidin 3-O-beta-D-sambubioside", "names": [ "Cyanidin 3-O-beta-D-sambubioside" ] }, { "compound_id": "C20491", "inchi": "InChI=1/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1/t14-,17-,19+,20-,21+,22-,24-,25+,26-/m1/s1/fC26H29O16/h28-31,33H/q+1", "name": "Delphinidin 3-O-beta-D-sambubioside", "names": [ "Delphinidin 3-O-beta-D-sambubioside" ] }, { "compound_id": "C20492", "inchi": "InChI=1/C32H38O19/c33-8-19-22(39)24(41)27(44)31(49-19)47-17-6-13(36)5-16-14(17)7-18(28(46-16)11-1-3-12(35)4-2-11)48-32-29(25(42)23(40)20(9-34)50-32)51-30-26(43)21(38)15(37)10-45-30/h1-7,15,19-27,29-34,37-44H,8-10H2,(H-,35,36)/p+1/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1/fC32H39O19/h35-36H/q+1", "name": "Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside", "names": [ "Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside" ] }, { "compound_id": "C20493", "inchi": "InChI=1/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1/fC32H39O20/h35-37H/q+1", "name": "Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside", "names": [ "Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside" ] }, { "compound_id": "C20494", "inchi": "InChI=1/C32H38O21/c33-6-18-22(41)24(43)27(46)31(51-18)49-16-4-10(35)3-15-11(16)5-17(28(48-15)9-1-12(36)20(39)13(37)2-9)50-32-29(25(44)23(42)19(7-34)52-32)53-30-26(45)21(40)14(38)8-47-30/h1-5,14,18-19,21-27,29-34,38,40-46H,6-8H2,(H3-,35,36,37,39)/p+1/t14-,18-,19-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1/fC32H39O21/h35-37,39H/q+1", "name": "Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside", "names": [ "Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside" ] }, { "compound_id": "C20495", "inchi": "InChI=1/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)38-12-5-14(31)13-7-16(40-27-24(37)22(35)20(33)18(9-29)42-27)25(39-15(13)6-12)10-1-3-11(30)4-2-10/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1/fC27H31O15/h30-31H/q+1", "name": "Pelargonidin 3,7-di-O-beta-D-glucoside", "names": [ "Pelargonidin 3,7-di-O-beta-D-glucoside" ] }, { "compound_id": "C20496", "inchi": "InChI=1/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-9-3-11(30)10-5-15(42-27-24(39)22(37)20(35)17(7-29)44-27)25(41-14(10)4-9)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1/fC27H31O17/h30-33H/q+1", "name": "Delphinidin 3,7-di-O-beta-D-glucoside", "names": [ "Delphinidin 3,7-di-O-beta-D-glucoside" ] }, { "compound_id": "C20497", "inchi": "InChI=1/C71H116N2O18P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-86-92(82,83)91-93(84,85)90-71-63(73-60(14)76)65(78)67(61(47-74)87-71)88-70-62(72-59(13)75)64(77)66(79)68(89-70)69(80)81/h25,27,29,31,33,35,37,39,41,43,45,61-68,70-71,74,77-79H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)(H,84,85)/b49-27+,50-29+,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-,58-45-/t61-,62+,63-,64-,65-,66+,67-,68+,70-,71-/m1/s1/f/h72-73,80,82,84H", "name": "N-Acetyl-beta-D-mannosaminuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol", "names": [ "N-Acetyl-beta-D-mannosaminuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C20498", "inchi": "InChI=1/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/b51-29+,52-31+,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+,75+,77-,78-,79-/m1/s1/f/h80-82,91,93,95H", "name": "4-Acetamido-4,6-dideoxy-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-mannosaminuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol", "names": [ "4-Acetamido-4,6-dideoxy-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-mannosaminuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C20499", "inchi": "InChI=1/C20H20O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,12,21-24,27H,2-5H2,1H3/t12-/m0/s1", "name": "(1'S)-Averantin", "names": [ "(1'S)-Averantin" ] }, { "compound_id": "C20500", "inchi": "InChI=1/C20H20O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-8,12,21-25,28H,2-4H2,1H3/t8-,12-/m0/s1", "name": "(1'S,5'S)-5'-Hydroxyaverantin", "names": [ "(1'S,5'S)-5'-Hydroxyaverantin" ] }, { "compound_id": "C20501", "inchi": "InChI=1/C20H20O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-8,12,21-25,28H,2-4H2,1H3/t8-,12+/m1/s1", "name": "(1'S,5'R)-5'-Hydroxyaverantin", "names": [ "(1'S,5'R)-5'-Hydroxyaverantin" ] }, { "compound_id": "C20502", "inchi": "InChI=1/C20H18O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-7,12,22-25,28H,2-4H2,1H3/t12-/m0/s1", "name": "5'-Oxoaverantin", "names": [ "5'-Oxoaverantin" ] }, { "compound_id": "C20503", "inchi": "InChI=1/C20H16O8/c1-7(21)2-3-9-15-13(28-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3/t9-,20-/m0/s1", "name": "1'-Hydroxyversicolorone", "names": [ "1'-Hydroxyversicolorone" ] }, { "compound_id": "C20504", "inchi": "InChI=1/C20H18O8/c1-8(22)2-3-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/t9-/m1/s1", "name": "Versicolorone", "names": [ "Versicolorone" ] }, { "compound_id": "C20505", "inchi": "InChI=1/C20H16O9/c1-7(21)28-3-2-9-15-13(29-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3/t9-,20-/m0/s1", "name": "Versiconal hemiacetal acetate", "names": [ "Versiconal hemiacetal acetate" ] }, { "compound_id": "C20506", "inchi": "InChI=1/C20H18O9/c1-8(22)29-3-2-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/t9-/m1/s1", "name": "Versiconol acetate", "names": [ "Versiconol acetate" ] }, { "compound_id": "C20507", "inchi": "InChI=1/C18H14O8/c19-2-1-7-13-11(26-18(7)25)5-9-14(17(13)24)16(23)12-8(15(9)22)3-6(20)4-10(12)21/h3-5,7,18-21,24-25H,1-2H2/t7-,18-/m0/s1", "name": "Versiconal", "names": [ "Versiconal" ] }, { "compound_id": "C20508", "inchi": "InChI=1/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2/t7-/m1/s1", "name": "Versiconol", "names": [ "Versiconol" ] }, { "compound_id": "C20509", "inchi": "InChI=1/C18H34N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-12,14-18,23-27,29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,14-,15+,16-,17-,18-/m1/s1", "name": "2'-Dehydrokanamycin A", "names": [ "2'-Dehydrokanamycin A" ] }, { "compound_id": "C20510", "inchi": "InChI=1/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1", "name": "30-Hydroxy-11-oxo-beta-amyrin", "names": [ "30-Hydroxy-11-oxo-beta-amyrin" ] }, { "compound_id": "C20511", "inchi": "InChI=1/C30H46O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,18,20,22-24,33H,8-15,17H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1", "name": "Glycyrrhetaldehyde", "names": [ "Glycyrrhetaldehyde" ] }, { "compound_id": "C20512", "inchi": "InChI=1/C21H25N3O2/c1-13(2)9-10-17-15(14-6-3-4-7-16(14)22-17)12-18-21(26)24-11-5-8-19(24)20(25)23-18/h3-4,6-7,9,18-19,22H,5,8,10-12H2,1-2H3,(H,23,25)/t18-,19-/m0/s1/f/h23H", "name": "Tryprostatin B", "names": [ "Tryprostatin B" ] }, { "compound_id": "C20513", "inchi": "InChI=1/C21H25N3O3/c1-12(2)5-8-16-15(14-7-6-13(25)10-17(14)22-16)11-18-21(27)24-9-3-4-19(24)20(26)23-18/h5-7,10,18-19,22,25H,3-4,8-9,11H2,1-2H3,(H,23,26)/t18-,19-/m0/s1/f/h23H", "name": "6-Hydroxytryprostatin B", "names": [ "6-Hydroxytryprostatin B" ] }, { "compound_id": "C20514", "inchi": "InChI=1/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1/f/h13-14H", "name": "Cyclo(L-leucyl-L-leucyl)", "names": [ "Cyclo(L-leucyl-L-leucyl)" ] }, { "compound_id": "C20515", "inchi": "InChI=1/C12H20N2O4/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17/h7-8,15-16H,5-6H2,1-4H3", "name": "Pulcherriminic acid", "names": [ "Pulcherriminic acid" ] }, { "compound_id": "C20516", "inchi": "InChI=1/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1/f/h19-20H", "name": "Cyclo(L-tyrosyl-L-tyrosyl)", "names": [ "Cyclo(L-tyrosyl-L-tyrosyl)" ] }, { "compound_id": "C20517", "inchi": "InChI=1/C18H16N2O4/c21-15-3-1-9-5-11(15)12-6-10(2-4-16(12)22)8-14-18(24)19-13(7-9)17(23)20-14/h1-6,13-14,21-22H,7-8H2,(H,19,24)(H,20,23)/t13-,14-/m0/s1/f/h19-20H", "name": "Mycocyclosin", "names": [ "Mycocyclosin" ] }, { "compound_id": "C20518", "inchi": "InChI=1/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38-,39-,40-,41-,42-,43+/m1/s1/f/h44-45H", "name": "2,3-Bis-(O-phytanyl)-sn-glycerol 1-phosphate", "names": [ "2,3-Bis-(O-phytanyl)-sn-glycerol 1-phosphate" ] }, { "compound_id": "C20519", "inchi": "InChI=1/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1/f/h16-17H", "name": "Cyclo(L-leucyl-L-phenylalanyl)", "names": [ "Cyclo(L-leucyl-L-phenylalanyl)" ] }, { "compound_id": "C20520", "inchi": "InChI=1/C15H16N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)(H,17,18)/b12-8-,13-9-/f/h16-17H", "name": "Albonoursin", "names": [ "Albonoursin" ] }, { "compound_id": "C20521", "inchi": "InChI=1/C15H18N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,19)(H,17,18)/b13-9-/t12-/m0/s1/f/h16-17H", "name": "Cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]", "names": [ "Cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]" ] }, { "compound_id": "C20525", "inchi": "InChI=1/C28H39N/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29-28-18-7-6-17-27(26)28/h6-7,11,13,15,17-19,21,29H,8-10,12,14,16,20H2,1-5H3/b23-13+,24-15+,25-19+", "name": "3-Geranylgeranylindole", "names": [ "3-Geranylgeranylindole" ] }, { "compound_id": "C20526", "inchi": "InChI=1/C28H39NO/c1-21(2)10-9-19-28(5)27(30-28)18-16-23(4)12-8-11-22(3)15-17-24-20-29-26-14-7-6-13-25(24)26/h6-7,10,12-15,20,27,29H,8-9,11,16-19H2,1-5H3/b22-15+,23-12+/t27-,28-/m0/s1", "name": "10,11-Epoxy-3-geranylgeranylindole", "names": [ "10,11-Epoxy-3-geranylgeranylindole" ] }, { "compound_id": "C20527", "inchi": "InChI=1/C28H39NO/c1-18(2)9-8-15-26(3)23-13-12-19-17-21-20-10-6-7-11-22(20)29-25(21)28(19,5)27(23,4)16-14-24(26)30/h6-7,9-11,19,23-24,29-30H,8,12-17H2,1-5H3/t19-,23-,24-,26-,27-,28+/m0/s1", "name": "Emindole SB", "names": [ "Emindole SB" ] }, { "compound_id": "C20529", "inchi": "InChI=1/C28H39NO2/c1-25(2)23(31-25)13-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-12-22(26)30/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23+,26-,27-,28+/m0/s1", "name": "14,15-Epoxyemindole SB", "names": [ "14,15-Epoxyemindole SB" ] }, { "compound_id": "C20530", "inchi": "InChI=1/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28+/m0/s1", "name": "Paspaline", "names": [ "Paspaline" ] }, { "compound_id": "C20531", "inchi": "InChI=1/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19-,22-,24-,26-,27+/m0/s1", "name": "13-Desoxypaxilline", "names": [ "13-Desoxypaxilline" ] }, { "compound_id": "C20532", "inchi": "InChI=1/C37H51NO5/c1-20(2)9-11-22-12-14-26-28(24(22)13-10-21(3)4)25-19-23-15-18-36(41)34(7,35(23,8)30(25)38-26)17-16-27-37(36)32(43-37)29(39)31(42-27)33(5,6)40/h9-10,12,14,23,27,29,31-32,38-41H,11,13,15-19H2,1-8H3/t23-,27-,29+,31-,32+,34+,35+,36-,37-/m0/s1", "name": "20,21-Diprenylterpendole I", "names": [ "20,21-Diprenylterpendole I" ] }, { "compound_id": "C20534", "inchi": "InChI=1/C27H35NO2/c1-25(2,29)23-12-10-18-20-11-9-16-15-19-17-7-5-6-8-21(17)28-24(19)27(16,4)26(20,3)14-13-22(18)30-23/h5-8,10,16,20,22-23,28-29H,9,11-15H2,1-4H3/t16-,20-,22-,23-,26-,27+/m0/s1", "name": "12-Demethyl-11,12-dehydropaspaline", "names": [ "12-Demethyl-11,12-dehydropaspaline" ] }, { "compound_id": "C20535", "inchi": "InChI=1/C27H35NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,21-22,24,28-30H,9-13H2,1-4H3/t15-,19-,21+,22-,24-,26-,27+/m0/s1", "name": "beta-PC-M6", "names": [ "beta-PC-M6" ] }, { "compound_id": "C20536", "inchi": "InChI=1/C28H39NO3/c1-25(2,31)23-15-21(30)27(4)20-11-10-16-14-18-17-8-6-7-9-19(17)29-24(18)28(16,5)26(20,3)13-12-22(27)32-23/h6-9,16,20-23,29-31H,10-15H2,1-5H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1", "name": "Terpendole E", "names": [ "Terpendole E" ] }, { "compound_id": "C20542", "inchi": "InChI=1/C27H35NO4/c1-24(2,30)22-20(29)23-27(32-23)18-10-9-14-13-16-15-7-5-6-8-17(15)28-21(16)26(14,4)25(18,3)12-11-19(27)31-22/h5-8,14,18-20,22-23,28-30H,9-13H2,1-4H3/t14-,18+,19-,20+,22-,23+,25-,26+,27-/m0/s1", "name": "13-Desoxyterpendole I", "names": [ "13-Desoxyterpendole I" ] }, { "compound_id": "C20543", "inchi": "InChI=1/C27H35NO5/c1-23(2,30)21-19(29)22-27(33-22)18(32-21)10-11-24(3)25(4)14(9-12-26(24,27)31)13-16-15-7-5-6-8-17(15)28-20(16)25/h5-8,14,18-19,21-22,28-31H,9-13H2,1-4H3/t14-,18-,19+,21-,22+,24+,25+,26-,27-/m0/s1", "name": "Terpendole I", "names": [ "Terpendole I" ] }, { "compound_id": "C20545", "inchi": "InChI=1/C32H43NO5/c1-18(2)13-16-36-28(3,4)26-24(34)27-32(38-27)23(37-26)12-14-29(5)30(6)19(11-15-31(29,32)35)17-21-20-9-7-8-10-22(20)33-25(21)30/h7-10,13,19,23-24,26-27,33-35H,11-12,14-17H2,1-6H3/t19-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1", "name": "Terpendole J", "names": [ "Terpendole J" ] }, { "compound_id": "C20546", "inchi": "InChI=1/C32H41NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,15,18,22-24,26-27,33-34H,11-14,16H2,1-6H3/t18-,22-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1", "name": "Terpendole C", "names": [ "Terpendole C" ] }, { "compound_id": "C20548", "inchi": "InChI=1/C37H49NO7/c1-31(2,41)29-27(40)30-37(44-30)23(43-29)12-13-34(7)35(8)17(11-14-36(34,37)42)15-20-24-19-16-21-25(33(5,6)45-32(21,3)4)26(39)18(19)9-10-22(24)38-28(20)35/h9-10,17,21,23,25,27,29-30,38,40-42H,11-16H2,1-8H3/t17-,21+,23-,25-,27+,29-,30+,34+,35+,36-,37-/m0/s1", "name": "Lolitriol", "names": [ "Lolitriol" ] }, { "compound_id": "C20550", "inchi": "InChI=1/C42H57NO7/c1-21(2)15-18-47-38(7,8)34-32(45)35-42(49-35)28(48-34)14-16-39(9)40(10)22(13-17-41(39,42)46)19-25-29-24-20-26-30(37(5,6)50-36(26,3)4)31(44)23(24)11-12-27(29)43-33(25)40/h11-12,15,22,26,28,30,32,34-35,43,45-46H,13-14,16-20H2,1-10H3/t22-,26+,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1", "name": "Lolitrem E", "names": [ "Lolitrem E" ] }, { "compound_id": "C20551", "inchi": "InChI=1/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21-,25+,27-,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1", "name": "Lolitrem B", "names": [ "Lolitrem B" ] }, { "compound_id": "C20552", "inchi": "InChI=1/C32H39NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,12,15,18,23-24,26-27,33-34H,11,13-14,16H2,1-6H3/t18-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1", "name": "Terpendole K", "names": [ "Terpendole K" ] }, { "compound_id": "C20553", "inchi": "InChI=1/C27H31NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,14-15,18,23,28H,9-13H2,1-4H3/t15-,18-,23-,25-,26+,27-/m0/s1", "name": "Paspalicine", "names": [ "Paspalicine" ] }, { "compound_id": "C20554", "inchi": "InChI=1/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1", "name": "Paspalinine", "names": [ "Paspalinine" ] }, { "compound_id": "C20555", "inchi": "InChI=1/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1", "name": "Aflatrem", "names": [ "Aflatrem" ] }, { "compound_id": "C20559", "inchi": "InChI=1/C11H16NO7P/c12-7-3-1-6(2-4-7)11-10(14)9(13)8(19-11)5-18-20(15,16)17/h1-4,8-11,13-14H,5,12H2,(H2,15,16,17)/t8-,9-,10-,11+/m1/s1/f/h15-16H", "name": "4-(beta-D-Ribofuranosyl)aniline 5'-phosphate", "names": [ "4-(beta-D-Ribofuranosyl)aniline 5'-phosphate" ] }, { "compound_id": "C20560", "inchi": "InChI=1/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13)/f/h10,13H,11H2", "name": "N1-(3-Aminopropyl)agmatine", "names": [ "N1-(3-Aminopropyl)agmatine" ] }, { "compound_id": "C20561", "inchi": "InChI=1/C37H49NO4/c1-21(2)9-11-23-17-26-27-19-25-13-16-37(41)28-20-30(39)33(34(5,6)40)42-31(28)14-15-35(37,7)36(25,8)32(27)38-29(26)18-24(23)12-10-22(3)4/h9-10,17-18,20,25,31,33,38,40-41H,11-16,19H2,1-8H3/t25-,31-,33-,35+,36+,37+/m0/s1", "name": "21,22-Diprenylpaxilline", "names": [ "21,22-Diprenylpaxilline" ] }, { "compound_id": "C20562", "inchi": "InChI=1/C18H23N6O8P/c19-18-23-16-12(17(27)24-18)22-10(6-21-16)5-20-9-3-1-8(2-4-9)15-14(26)13(25)11(32-15)7-31-33(28,29)30/h1-4,11,13-15,20,25-26H,5-7H2,(H2,28,29,30)(H4,19,21,23,24,27)/t11-,13-,14-,15+/m1/s1/f/h21,24,28-29H,19H2", "name": "N-[(7,8-Dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate", "names": [ "N-[(7,8-Dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate" ] }, { "compound_id": "C20563", "inchi": "InChI=1/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14-/m0/s1/f/h18H", "name": "Brevianamide F", "names": [ "Brevianamide F" ] }, { "compound_id": "C20564", "inchi": "InChI=1/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1", "name": "Fumitremorgin A", "names": [ "Fumitremorgin A" ] }, { "compound_id": "C20565", "inchi": "InChI=1/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1/f/h33,35H,21-22H2", "name": "Cyclic di-3',5'-adenylate", "names": [ "Cyclic di-3',5'-adenylate" ] }, { "compound_id": "C20566", "inchi": "InChI=1/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(2-15)21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1/f/h11,14,18-19H,10H2", "name": "7,8-Dihydroneopterin 2'-phosphate", "names": [ "7,8-Dihydroneopterin 2'-phosphate" ] }, { "compound_id": "C20567", "inchi": "InChI=1/C9H12N5O6P/c10-9-13-7-5(8(16)14-9)12-3(1-11-7)6(15)4-2-19-21(17,18)20-4/h4,6,15H,1-2H2,(H,17,18)(H4,10,11,13,14,16)/t4-,6+/m1/s1/f/h11,14,17H,10H2", "name": "7,8-Dihydroneopterin 2',3'-cyclic phosphate", "names": [ "7,8-Dihydroneopterin 2',3'-cyclic phosphate" ] }, { "compound_id": "C20568", "inchi": "InChI=1/C10H18O9/c11-1-3-5(13)7(15)10(18-3)19-8-6(14)4(2-12)17-9(8)16/h3-16H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10+/m0/s1", "name": "beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranose", "names": [ "beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranose" ] }, { "compound_id": "C20569", "inchi": "InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m0/s1", "name": "beta-L-Arabinofuranose", "names": [ "beta-L-Arabinofuranose" ] }, { "compound_id": "C20574", "inchi": "InChI=1/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12?,20-/m0/s1", "name": "(1'S,5'S)-Averufin", "names": [ "(1'S,5'S)-Averufin" ] }, { "compound_id": "C20575", "inchi": "InChI=1/C18H12O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h3-5,7,18-20,23H,1-2H2/t7-,18+/m0/s1", "name": "Versicolorin B", "names": [ "Versicolorin B" ] }, { "compound_id": "C20576", "inchi": "InChI=1/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14-16H,5,7-9H2,1-4H3/b12-6+,13-10+/t14-,15+/m1/s1", "name": "Kunzeaol", "names": [ "Kunzeaol" ] }, { "compound_id": "C20577", "inchi": "InChI=1/C11H18O8/c1-5(2-3-12)10(16)18-4-6-7(13)8(14)9(15)11(17)19-6/h6-9,11-15,17H,1-4H2/t6-,7-,8+,9-,11?/m1/s1", "name": "6-Tuliposide A", "names": [ "6-Tuliposide A" ] }, { "compound_id": "C20578", "inchi": "InChI=1/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2", "name": "Tulipalin A", "names": [ "Tulipalin A" ] }, { "compound_id": "C20579", "inchi": "InChI=1/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m0/s1/f/h18H", "name": "Cyclopeptine", "names": [ "Cyclopeptine" ] }, { "compound_id": "C20581", "inchi": "InChI=1/C8H10O6/c9-6(10)3-1-2-5(8(13)14)4-7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/b5-4-/f/h9,11,13H", "name": "cis-(Homo)2-aconitate", "names": [ "cis-(Homo)2-aconitate" ] }, { "compound_id": "C20582", "inchi": "InChI=1/C9H12O6/c10-7(11)4-2-1-3-6(9(14)15)5-8(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)/b6-5-/f/h10,12,14H", "name": "cis-(Homo)3-aconitate", "names": [ "cis-(Homo)3-aconitate" ] }, { "compound_id": "C20583", "inchi": "InChI=1/C18H10O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h1-5,7,18-20,23H/t7-,18+/m0/s1", "name": "Versicolorin A", "names": [ "Versicolorin A" ] }, { "compound_id": "C20587", "inchi": "InChI=1/C28H37NO3/c1-25(2,31)22-12-14-28(16-30)21-10-9-17-15-19-18-7-5-6-8-20(18)29-24(19)27(17,4)26(21,3)13-11-23(28)32-22/h5-8,16-17,21-23,29,31H,9-15H2,1-4H3/t17-,21+,22-,23-,26-,27+,28+/m0/s1", "name": "Paspaline B", "names": [ "Paspaline B" ] }, { "compound_id": "C20589", "inchi": "InChI=1/C6H14NO9P/c7-3(6(11)12)5(10)4(9)2(8)1-16-17(13,14)15/h2-5,8-10H,1,7H2,(H,11,12)(H2,13,14,15)/t2-,3-,4-,5-/m1/s1/f/h11,13-14H", "name": "6-Phospho-D-glucosaminate", "names": [ "6-Phospho-D-glucosaminate" ] }, { "compound_id": "C20593", "inchi": "InChI=1/C27H35NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,20-21,23,28-31H,9-13H2,1-4H3/t15-,20+,21-,23-,25+,26+,27+/m0/s1", "name": "beta-Paxitriol", "names": [ "beta-Paxitriol" ] }, { "compound_id": "C20594", "inchi": "InChI=1/C42H59NO5/c1-24(2)11-13-27-14-16-31-33(29(27)15-12-25(3)4)30-23-28-17-21-41(45)39(9,40(28,10)35(30)43-31)20-18-32-42(41)37(48-42)34(44)36(47-32)38(7,8)46-22-19-26(5)6/h11-12,14,16,19,28,32,34,36-37,43-45H,13,15,17-18,20-23H2,1-10H3/t28-,32-,34+,36-,37+,39+,40+,41-,42-/m0/s1", "name": "20,21-Diprenylterpendole J", "names": [ "20,21-Diprenylterpendole J" ] }, { "compound_id": "C20595", "inchi": "InChI=1/C42H57NO5/c1-23(2)11-13-26-14-16-30-33(28(26)15-12-24(3)4)29-22-27-17-20-41(44)39(9,40(27,10)35(29)43-30)19-18-31-42(41)37(48-42)34-36(45-31)38(7,8)47-32(46-34)21-25(5)6/h11-12,14,16,21,27,31-32,34,36-37,43-44H,13,15,17-20,22H2,1-10H3/t27-,31-,32-,34+,36-,37+,39+,40+,41-,42-/m0/s1", "name": "20,21-Diprenylterpendole C", "names": [ "20,21-Diprenylterpendole C" ] }, { "compound_id": "C20602", "inchi": "InChI=1/C6H12N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1/f/h8-11H", "name": "L-Enduracididine", "names": [ "L-Enduracididine" ] }, { "compound_id": "C20603", "inchi": "InChI=1/C6H12N4O3/c7-3(5(12)13)4(11)2-1-9-6(8)10-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3-,4-/m0/s1/f/h8-10,12H", "name": "(3S)-3-Hydroxy-L-enduracididine", "names": [ "(3S)-3-Hydroxy-L-enduracididine" ] }, { "compound_id": "C20604", "inchi": "InChI=1/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1", "name": "Fumitremorgin C", "names": [ "Fumitremorgin C" ] }, { "compound_id": "C20605", "inchi": "InChI=1/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3/t15-,16-,19-,22+/m0/s1", "name": "12alpha,13alpha-Dihydroxyfumitremorgin C", "names": [ "12alpha,13alpha-Dihydroxyfumitremorgin C" ] }, { "compound_id": "C20607", "inchi": "InChI=1/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1/f/h24H", "name": "Tryprostatin A", "names": [ "Tryprostatin A" ] }, { "compound_id": "C20608", "inchi": "InChI=1/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1/f/h5H", "name": "(S)-2-Chloropropanoate", "names": [ "(S)-2-Chloropropanoate" ] }, { "compound_id": "C20609", "inchi": "InChI=1/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)/f/h5H", "name": "2-Chloroacrylate", "names": [ "2-Chloroacrylate" ] }, { "compound_id": "C20612", "inchi": "InChI=1/C16H23N5O14P2/c1-5-6(22)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)21-4-18-9-12(21)19-16(17)20-13(9)26/h4-5,7-8,10-11,14-15,23-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,17,19,20,26)/t5-,7+,8-,10-,11-,14-,15-/m1/s1/f/h20,27,29H,17H2", "name": "GDP-4-dehydro-3,6-dideoxy-alpha-D-mannose", "names": [ "GDP-4-dehydro-3,6-dideoxy-alpha-D-mannose" ] }, { "compound_id": "C20613", "inchi": "InChI=1/C16H25N5O14P2/c1-5-6(22)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)21-4-18-9-12(21)19-16(17)20-13(9)26/h4-8,10-11,14-15,22-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,17,19,20,26)/t5-,6-,7-,8+,10+,11+,14+,15+/m0/s1/f/h20,27,29H,17H2", "name": "GDP-beta-L-colitose", "names": [ "GDP-beta-L-colitose" ] }, { "compound_id": "C20614", "inchi": "InChI=1/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-11(26)8(21)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1", "name": "Kanamycin X", "names": [ "Kanamycin X" ] }, { "compound_id": "C20617", "inchi": "InChI=1/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)67(64(75)61(47-72)83-68)85-69-66(77)65(76)63(74)60(46-71)84-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63+,64-,65+,66-,67-,68-,69+/m1/s1/f/h70,78,80H", "name": "beta-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol", "names": [ "beta-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C20618", "inchi": "InChI=1/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)64(75)67(61(47-72)84-68)85-69-66(77)65(76)63(74)60(46-71)83-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63+,64-,65+,66-,67-,68-,69+/m1/s1/f/h70,78,80H", "name": "beta-D-Gal-(1->4)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol", "names": [ "beta-D-Gal-(1->4)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C20619", "inchi": "InChI=1/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)67(64(75)61(47-72)83-68)85-69-66(77)65(76)63(74)60(46-71)84-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63-,64-,65+,66-,67-,68-,69+/m1/s1/f/h70,78,80H", "name": "beta-D-Glc-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol", "names": [ "beta-D-Glc-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C20620", "inchi": "InChI=1/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)(H,71,72)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t59-,60-,61+,62-,63-/m1/s1/f/h64,69,71H", "name": "N-Acetyl-alpha-D-galactosaminyl-diphospho-ditrans,octacis-undecaprenol", "names": [ "N-Acetyl-alpha-D-galactosaminyl-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C20621", "inchi": "InChI=1/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-85-91(81,82)90-92(83,84)89-71-65(73-61(14)77)69(67(79)63(48-75)87-71)88-70-64(72-60(13)76)68(80)66(78)62(47-74)86-70/h25,27,29,31,33,35,37,39,41,43,45,62-71,74-75,78-80H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,72,76)(H,73,77)(H,81,82)(H,83,84)/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64-,65-,66+,67+,68-,69-,70-,71-/m1/s1/f/h72-73,81,83H", "name": "alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol", "names": [ "alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C20622", "inchi": "InChI=1/C77H128N2O22P2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-94-102(90,91)101-103(92,93)100-76-67(79-62(14)84)74(70(87)65(49-82)96-76)98-75-66(78-61(13)83)73(69(86)64(48-81)95-75)99-77-72(89)71(88)68(85)63(47-80)97-77/h25,27,29,31,33,35,37,39,41,43,45,63-77,80-82,85-89H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,78,83)(H,79,84)(H,90,91)(H,92,93)/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t63-,64-,65-,66-,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77+/m1/s1/f/h78-79,90,92H", "name": "beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol", "names": [ "beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C20625", "inchi": "InChI=1/C83H138N2O26P2/c1-51(2)26-16-27-52(3)28-17-29-53(4)30-18-31-54(5)32-19-33-55(6)34-20-35-56(7)36-21-37-57(8)38-22-39-58(9)40-23-41-59(10)42-24-43-60(11)44-25-45-61(12)46-47-102-112(98,99)111-113(100,101)110-81-69(85-64(15)90)78(73(94)67(50-88)105-81)107-80-68(84-63(14)89)77(72(93)66(49-87)104-80)108-83-79(75(96)71(92)65(48-86)106-83)109-82-76(97)74(95)70(91)62(13)103-82/h26,28,30,32,34,36,38,40,42,44,46,62,65-83,86-88,91-97H,16-25,27,29,31,33,35,37,39,41,43,45,47-50H2,1-15H3,(H,84,89)(H,85,90)(H,98,99)(H,100,101)/b52-28+,53-30+,54-32-,55-34-,56-36-,57-38-,58-40-,59-42-,60-44-,61-46-/t62-,65+,66+,67+,68+,69+,70+,71-,72-,73-,74+,75-,76-,77+,78+,79+,80+,81+,82-,83-/m0/s1/f/h84-85,98,100H", "name": "alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol", "names": [ "alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C20626", "inchi": "InChI=1/C89H148N2O31P2/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-111-123(107,108)122-124(109,110)121-86-71(91-65(15)97)82(75(101)68(50-94)114-86)117-85-70(90-64(14)96)81(74(100)67(49-93)113-85)118-89-84(120-87-79(105)77(103)72(98)63(13)112-87)83(76(102)69(51-95)116-89)119-88-80(106)78(104)73(99)66(48-92)115-88/h26,28,30,32,34,36,38,40,42,44,46,63,66-89,92-95,98-106H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,90,96)(H,91,97)(H,107,108)(H,109,110)/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t63-,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77+,78-,79-,80+,81+,82+,83-,84+,85+,86+,87-,88?,89-/m0/s1/f/h90-91,107,109H", "name": "alpha-D-Gal-(1->3)-(alpha-L-Fuc-(1->2))-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol", "names": [ "alpha-D-Gal-(1->3)-(alpha-L-Fuc-(1->2))-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol" ] }, { "compound_id": "C20627", "inchi": "InChI=1/C52H101N3O13P2/c1-38(2)17-11-19-40(5)21-13-23-42(7)25-15-27-44(9)30-33-63-35-46(64-34-31-45(10)28-16-26-43(8)24-14-22-41(6)20-12-18-39(3)4)36-65-69(59,60)68-70(61,62)66-37-47-49(56)50(57)51(67-47)55-32-29-48(53)54-52(55)58/h29,32,38-47,49-51,56-57H,11-28,30-31,33-37H2,1-10H3,(H,59,60)(H,61,62)(H2,53,54,58)/t40?,41?,42?,43?,44?,45?,46-,47+,49+,50+,51+/m0/s1/f/h59,61H,53H2", "name": "CDP-2,3-bis-(O-phytanyl)-sn-glycerol", "names": [ "CDP-2,3-bis-(O-phytanyl)-sn-glycerol" ] }, { "compound_id": "C20628", "inchi": "InChI=1/C46H94NO8P/c1-36(2)17-11-19-38(5)21-13-23-40(7)25-15-27-42(9)29-31-52-33-44(34-54-56(50,51)55-35-45(47)46(48)49)53-32-30-43(10)28-16-26-41(8)24-14-22-39(6)20-12-18-37(3)4/h36-45H,11-35,47H2,1-10H3,(H,48,49)(H,50,51)/t38?,39?,40?,41?,42?,43?,44-,45-/m0/s1/f/h48,50H", "name": "2,3-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine", "names": [ "2,3-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine" ] }, { "compound_id": "C20629", "inchi": "InChI=1/C21H19NO6/c1-11(2)3-4-12-9-13(5-8-16(12)24)20(26)22-18-19(25)15-7-6-14(23)10-17(15)28-21(18)27/h3,5-10,23-25H,4H2,1-2H3,(H,22,26)/f/h22H", "name": "8-Demethylnovobiocic acid", "names": [ "8-Demethylnovobiocic acid" ] }, { "compound_id": "C20630", "inchi": "InChI=1/C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3/t19-,21-,24-,27+/m0/s1", "name": "Fumitremorgin B", "names": [ "Fumitremorgin B" ] }, { "compound_id": "C20631", "inchi": "InChI=1/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1/f/h9H,6H2", "name": "(2S,3S)-3-Hydroxyasparagine", "names": [ "(2S,3S)-3-Hydroxyasparagine" ] }, { "compound_id": "C20632", "inchi": "InChI=1/C20H26O4/c1-11-9-19-10-12(11)5-6-13(19)20-8-4-7-18(2,17(22)24-20)15(20)14(19)16(21)23-3/h12-15H,1,4-10H2,2-3H3/t12-,13-,14-,15-,18-,19+,20-/m1/s1", "name": "Methyl gibberellin A9", "names": [ "Methyl gibberellin A9" ] }, { "compound_id": "C20633", "inchi": "InChI=1/C20H26O5/c1-10-8-19-9-11(10)4-5-12(19)20-7-6-13(21)18(2,17(23)25-20)15(20)14(19)16(22)24-3/h11-15,21H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15-,18-,19+,20-/m1/s1", "name": "Methyl gibberellin A4", "names": [ "Methyl gibberellin A4" ] }, { "compound_id": "C20634", "inchi": "InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3", "name": "O-Methyl anthranilate", "names": [ "O-Methyl anthranilate" ] }, { "compound_id": "C20635", "inchi": "InChI=1/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3", "name": "Methyl (indol-3-yl)acetate", "names": [ "Methyl (indol-3-yl)acetate" ] }, { "compound_id": "C20636", "inchi": "InChI=1/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1/f/h23H", "name": "Deoxybrevianamide E", "names": [ "Deoxybrevianamide E" ] }, { "compound_id": "C20637", "inchi": "InChI=1/C16H12N2O7/c1-6-9(15(22)23)5-17-11(6)14(21)18-12-13(20)8-3-2-7(19)4-10(8)25-16(12)24/h2-5,17,19-20H,1H3,(H,18,21)(H,22,23)/f/h18,22H", "name": "5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate", "names": [ "5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate" ] }, { "compound_id": "C20638", "inchi": "InChI=1/C16H26N6O14P2/c1-4-6(17)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2,17H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/t4-,5-,6-,8-,9+,10-,11+,14-,15-/m1/s1/f/h21,28,30H,18H2", "name": "GDP-4-amino-4,6-dideoxy-alpha-D-mannose", "names": [ "GDP-4-amino-4,6-dideoxy-alpha-D-mannose" ] }, { "compound_id": "C20639", "inchi": "InChI=1/C4H9N3O4/c5-2(3(8)9)1-11-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1/f/h7-8H,6H2", "name": "O-Ureido-L-serine", "names": [ "O-Ureido-L-serine" ] }, { "compound_id": "C20640", "inchi": "InChI=1/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1/f/h28,34,36H,21-22H2", "name": "Cyclic GMP-AMP", "names": [ "Cyclic GMP-AMP" ] }, { "compound_id": "C20641", "inchi": "InChI=1/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1/f/h20,25,28H,16H2", "name": "L-Threonylcarbamoyladenylate", "names": [ "L-Threonylcarbamoyladenylate" ] }, { "compound_id": "C20642", "inchi": "InChI=1/C49H100O14P2/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-59-33-43(60-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4)34-61-65(57,58)63-49-46(52)44(50)45(51)48(47(49)53)62-64(54,55)56/h35-53H,11-34H2,1-10H3,(H,57,58)(H2,54,55,56)/t37?,38?,39?,40?,41?,42?,43-,44-,45-,46+,47+,48+,49-/m0/s1/f/h54-55,57H", "name": "1-Archaetidyl-1D-myo-inositol 3-phosphate", "names": [ "1-Archaetidyl-1D-myo-inositol 3-phosphate" ] }, { "compound_id": "C20643", "inchi": "InChI=1/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)/f/h17H", "name": "2-Heptyl-4(1H)-quinolone", "names": [ "2-Heptyl-4(1H)-quinolone" ] }, { "compound_id": "C20644", "inchi": "InChI=1/C7H14NO9P/c8-3(7(12)13)1-4(9)6(11)5(10)2-17-18(14,15)16/h3-4,6,9,11H,1-2,8H2,(H,12,13)(H2,14,15,16)/t3-,4?,6?/m0/s1/f/h12,14-15H", "name": "2-Amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate", "names": [ "2-Amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate" ] }, { "compound_id": "C20645", "inchi": "InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3", "name": "Methyl benzoate", "names": [ "Methyl benzoate" ] }, { "compound_id": "C20646", "inchi": "InChI=1/C10H10O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)/t7-/m0/s1/f/h12H", "name": "(3S)-2-Oxo-3-phenylbutanoate", "names": [ "(3S)-2-Oxo-3-phenylbutanoate" ] }, { "compound_id": "C20651", "inchi": "InChI=1/C4H9N3O4/c5-2(3(8)9)1-11-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m1/s1/f/h7-8H,6H2", "name": "O-Ureido-D-serine", "names": [ "O-Ureido-D-serine" ] }, { "compound_id": "C20653", "inchi": "InChI=1/C11H12O5/c12-9(13)7-11(16,10(14)15)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,12,13)(H,14,15)/t11-/m1/s1/f/h12,14H", "name": "2-Benzylmalic acid", "names": [ "2-Benzylmalic acid" ] }, { "compound_id": "C20654", "inchi": "InChI=1/C11H12O5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,13,14)(H,15,16)/f/h13,15H", "name": "3-Benzylmalic acid", "names": [ "3-Benzylmalic acid" ] }, { "compound_id": "C20657", "inchi": "InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+", "name": "meso-2,3-Butanediol", "names": [ "meso-2,3-Butanediol" ] }, { "compound_id": "C20664", "inchi": "InChI=1/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/t7?,8-,10?/m1/s1/f/h11-12,14H", "name": "(-)-Bornyl diphosphate", "names": [ "(-)-Bornyl diphosphate" ] }, { "compound_id": "C20668", "inchi": "InChI=1/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-3,5-7,9-10H,1H2,(H2,11,12,13)/t2-,3-,5-,6?/m1/s1/f/h11-12H", "name": "3-Dehydro-D-glucose 6-phosphate", "names": [ "3-Dehydro-D-glucose 6-phosphate" ] }, { "compound_id": "C20669", "inchi": "InChI=1/C6H6ClNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2", "name": "2-Amino-5-chlorophenol", "names": [ "2-Amino-5-chlorophenol" ] }, { "compound_id": "C20670", "inchi": "InChI=1/C6H6ClNO3/c7-4(3-9)1-2-5(8)6(10)11/h1-3H,8H2,(H,10,11)/b4-1+,5-2+/f/h10H", "name": "2-Amino-5-chloromuconate 6-semialdehyde", "names": [ "2-Amino-5-chloromuconate 6-semialdehyde" ] }, { "compound_id": "C20672", "inchi": "InChI=1/C18H28N6O15P2/c1-5-8(21-6(2)25)11(27)13(29)17(36-5)38-41(33,34)39-40(31,32)35-3-7-10(26)12(28)16(37-7)24-4-20-9-14(24)22-18(19)23-15(9)30/h4-5,7-8,10-13,16-17,26-29H,3H2,1-2H3,(H,21,25)(H,31,32)(H,33,34)(H3,19,22,23,30)/t5-,7-,8-,10-,11+,12-,13+,16-,17-/m1/s1/f/h21,23,31,33H,19H2", "name": "GDP-4-acetamido-4,6-dideoxy-alpha-D-mannose", "names": [ "GDP-4-acetamido-4,6-dideoxy-alpha-D-mannose" ] }, { "compound_id": "C20673", "inchi": "InChI=1/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1/f/h10H", "name": "N-Isovaleryl-L-homoserine lactone", "names": [ "N-Isovaleryl-L-homoserine lactone" ] }, { "compound_id": "C20674", "inchi": "InChI=1/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1/fC11H16N5O5/h14H,12H2/q+1", "name": "N7-Methylguanosine", "names": [ "N7-Methylguanosine" ] }, { "compound_id": "C20677", "inchi": "InChI=1/C13H13NO4/c15-10-4-1-9(2-5-10)3-6-12(16)14-11-7-8-18-13(11)17/h1-6,11,15H,7-8H2,(H,14,16)/b6-3+/t11-/m0/s1/f/h14H", "name": "N-(4-Coumaroyl)-L-homoserine lactone", "names": [ "N-(4-Coumaroyl)-L-homoserine lactone" ] }, { "compound_id": "C20680", "inchi": "InChI=1/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m0/s1/f/h11H", "name": "2-Dehydro-3-deoxy-L-galactonate", "names": [ "2-Dehydro-3-deoxy-L-galactonate" ] }, { "compound_id": "C20681", "inchi": "InChI=1/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+", "name": "(E,E)-Geranyllinalool", "names": [ "(E,E)-Geranyllinalool" ] }, { "compound_id": "C20682", "inchi": "InChI=1/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-12(22)11(21)13(31-15)7(2)19/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11-,12-,13+,15-/m1/s1/f/h17,25,27H", "name": "dTDP-alpha-D-fucofuranose", "names": [ "dTDP-alpha-D-fucofuranose" ] }, { "compound_id": "C20684", "inchi": "InChI=1/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1/f/h21H,12-13H2", "name": "O-Carbamoyladenylate", "names": [ "O-Carbamoyladenylate" ] }, { "compound_id": "C20685", "inchi": "InChI=1/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1/f/h12H", "name": "(R)-(2,4-Dichlorophenoxy)propanoate", "names": [ "(R)-(2,4-Dichlorophenoxy)propanoate" ] }, { "compound_id": "C20686", "inchi": "InChI=1/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m0/s1/f/h12H", "name": "(S)-2-(4-Chloro-2-methylphenoxy)propanoate", "names": [ "(S)-2-(4-Chloro-2-methylphenoxy)propanoate" ] }, { "compound_id": "C20687", "inchi": "InChI=1/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1/f/h12H", "name": "(S)-(2,4-Dichlorophenoxy)propanoate", "names": [ "(S)-(2,4-Dichlorophenoxy)propanoate" ] }, { "compound_id": "C20689", "inchi": "InChI=1/C29H33NO10/c1-5-29(38)11-18(40-19-10-16(30(3)4)24(32)12(2)39-19)21-14(23(29)28(36)37)9-15-22(27(21)35)26(34)20-13(25(15)33)7-6-8-17(20)31/h6-9,12,16,18-19,23-24,31-32,35,38H,5,10-11H2,1-4H3,(H,36,37)/t12-,16-,18-,19-,23-,24+,29+/m0/s1/f/h36H", "name": "15-Demethylaclacinomycin T", "names": [ "15-Demethylaclacinomycin T" ] }, { "compound_id": "C20690", "inchi": "InChI=1/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m1/s1/f/h7-8,10-11,13-14,16-17,19-20,22-23,25,27H", "name": "1D-myo-Inositol 1,5-bis(diphosphate) 2,3,4,6-tetrakisphosphate", "names": [ "1D-myo-Inositol 1,5-bis(diphosphate) 2,3,4,6-tetrakisphosphate" ] }, { "compound_id": "C20692", "inchi": "InChI=1/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15-", "name": "9-cis-10'-Apo-beta-carotenal", "names": [ "9-cis-10'-Apo-beta-carotenal" ] }, { "compound_id": "C20693", "inchi": "InChI=1/C19H26O3/c1-13(12-21-17-11-15(3)18(20)22-17)8-9-16-14(2)7-6-10-19(16,4)5/h8-9,11-12,17H,6-7,10H2,1-5H3/b9-8+,13-12-", "name": "Carlactone", "names": [ "Carlactone" ] }, { "compound_id": "C20694", "inchi": "InChI=1/C8H10O2/c1-8(4-2-6-9)5-3-7-10/h2-7,9H,1H3/b5-3+,6-2+,8-4+", "name": "(2E,4E,6E)-7-Hydroxy-4-methylhepta-2,4,6-trienal", "names": [ "(2E,4E,6E)-7-Hydroxy-4-methylhepta-2,4,6-trienal" ] }, { "compound_id": "C20695", "inchi": "InChI=1/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15+", "name": "all-trans-10'-Apo-beta-carotenal", "names": [ "all-trans-10'-Apo-beta-carotenal" ] }, { "compound_id": "C20696", "inchi": "InChI=1/C18H26O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+", "name": "13-Apo-beta-carotenone", "names": [ "13-Apo-beta-carotenone" ] }, { "compound_id": "C20697", "inchi": "InChI=1/C9H10O2/c1-9(6-4-8-11)5-2-3-7-10/h2-8H,1H3/b3-2+,6-4+,9-5+", "name": "(2E,4E,6E)-4-Methylocta-2,4,6-trienedial", "names": [ "(2E,4E,6E)-4-Methylocta-2,4,6-trienedial" ] }, { "compound_id": "C20699", "inchi": "InChI=1/C19H37N5O12/c20-2-6-10(26)12(28)13(29)18(33-6)36-16-5(22)1-4(21)15(14(16)30)35-17-11(27)8(23)9(25)7(34-17)3-32-19(24)31/h4-18,25-30H,1-3,20-23H2,(H2,24,31)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1/f/h24H2", "name": "6''-O-Carbamoylkanamycin A", "names": [ "6''-O-Carbamoylkanamycin A" ] }, { "compound_id": "C20700", "inchi": "InChI=1/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+", "name": "(E,E)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene", "names": [ "(E,E)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene" ] }, { "compound_id": "C20701", "inchi": "InChI=1/C4H6O/c1-3-4(2)5/h3H,1H2,2H3", "name": "But-3-en-2-one", "names": [ "But-3-en-2-one" ] }, { "compound_id": "C20702", "inchi": "InChI=1/C18H34O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+/t17-/m0/s1/f/h19H", "name": "(8E,10S)-10-Hydroperoxyoctadeca-8-enoate", "names": [ "(8E,10S)-10-Hydroperoxyoctadeca-8-enoate" ] }, { "compound_id": "C20703", "inchi": "InChI=1/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+/t17-/m0/s1/f/h19H", "name": "(8E,10S,12Z)-10-Hydroperoxyoctadeca-8,12-dienoate", "names": [ "(8E,10S,12Z)-10-Hydroperoxyoctadeca-8,12-dienoate" ] }, { "compound_id": "C20704", "inchi": "InChI=1/C18H30O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h3-4,8,11-12,15,17,21H,2,5-7,9-10,13-14,16H2,1H3,(H,19,20)/b4-3-,11-8-,15-12+/t17-/m0/s1/f/h19H", "name": "(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate", "names": [ "(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate" ] }, { "compound_id": "C20705", "inchi": "InChI=1/C20H33NO15/c22-3-8-11(25)14(28)18(32-8)35-16-13(27)10(5-24)34-20(16)36-15-12(26)9(4-23)33-19(15)31-6-1-7(17(29)30)21-2-6/h6-16,18-28H,1-5H2,(H,29,30)/t6-,7-,8-,9-,10-,11-,12-,13-,14+,15+,16+,18+,19-,20+/m0/s1/f/h29H", "name": "4-O-(beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl)-(2S,4S)-4-hydroxyproline", "names": [ "4-O-(beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl)-(2S,4S)-4-hydroxyproline" ] }, { "compound_id": "C20706", "inchi": "InChI=1/C10H17NO7/c12-3-6-7(13)8(14)10(18-6)17-4-1-5(9(15)16)11-2-4/h4-8,10-14H,1-3H2,(H,15,16)/t4-,5-,6-,7-,8+,10-/m0/s1/f/h15H", "name": "4-O-(beta-L-Arabinofuranosyl)-(2S,4S)-4-hydroxyproline", "names": [ "4-O-(beta-L-Arabinofuranosyl)-(2S,4S)-4-hydroxyproline" ] }, { "compound_id": "C20709", "inchi": "InChI=1/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1", "name": "Diosgenin 3-O-beta-D-glucopyranoside", "names": [ "Diosgenin 3-O-beta-D-glucopyranoside" ] }, { "compound_id": "C20710", "inchi": "InChI=1/C7H8O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,5-6,8-9H,(H,10,11)/t5-,6-/m1/s1/f/h10H", "name": "(4R,5R)-4,5-Dihydroxycyclohexa-1(6),2-diene-1-carboxylate", "names": [ "(4R,5R)-4,5-Dihydroxycyclohexa-1(6),2-diene-1-carboxylate" ] }, { "compound_id": "C20711", "inchi": "InChI=1/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1", "name": "Miltiradiene", "names": [ "Miltiradiene" ] }, { "compound_id": "C20712", "inchi": "InChI=1/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1", "name": "(S)-Laudanine", "names": [ "(S)-Laudanine" ] }, { "compound_id": "C20714", "inchi": "InChI=1/C10H18O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h2-8H2,1H3,(H,12,13)/f/h12H", "name": "3-Oxodecanoate", "names": [ "3-Oxodecanoate" ] }, { "compound_id": "C20715", "inchi": "InChI=1/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1", "name": "Protopanaxadiol", "names": [ "Protopanaxadiol" ] }, { "compound_id": "C20716", "inchi": "InChI=1/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1", "name": "Protopanaxatriol", "names": [ "Protopanaxatriol" ] }, { "compound_id": "C20717", "inchi": "InChI=1/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3", "name": "4-Hydroxy-2,5-dimethylfuran-3(2H)-one", "names": [ "4-Hydroxy-2,5-dimethylfuran-3(2H)-one" ] }, { "compound_id": "C20718", "inchi": "InChI=1/C6H6O3/c1-3-5(7)6(8)4(2)9-3/h8H,1H2,2H3", "name": "4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one", "names": [ "4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one" ] }, { "compound_id": "C20724", "inchi": "InChI=1/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m1/s1", "name": "(+)-Thujopsene", "names": [ "(+)-Thujopsene" ] }, { "compound_id": "C20726", "inchi": "InChI=1/C11H15O8P/c12-9-8(6-17-20(14,15)16)19-11(10(9)13)18-7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H2,14,15,16)/t8-,9-,10-,11+/m1/s1/f/h14-15H", "name": "Phenyl 5-phospho-alpha-D-ribofuranoside", "names": [ "Phenyl 5-phospho-alpha-D-ribofuranoside" ] }, { "compound_id": "C20727", "inchi": "InChI=1/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1", "name": "Kaempferol 3-O-beta-D-xyloside", "names": [ "Kaempferol 3-O-beta-D-xyloside" ] }, { "compound_id": "C20737", "inchi": "InChI=1/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+", "name": "6-Geranylgeranyl-2-methylbenzene-1,4-diol", "names": [ "6-Geranylgeranyl-2-methylbenzene-1,4-diol" ] }, { "compound_id": "C20738", "inchi": "InChI=1/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h11,13,15,17,19,29-30H,8-10,12,14,16,18H2,1-7H3/b21-13+,22-15+,23-17+", "name": "6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol", "names": [ "6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol" ] }, { "compound_id": "C20739", "inchi": "InChI=1/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1", "name": "Neopikromycin", "names": [ "Neopikromycin" ] }, { "compound_id": "C20740", "inchi": "InChI=1/C28H47NO9/c1-14-12-15(2)24(37-27-23(33)20(29(8)9)13-16(3)36-27)17(4)22(32)18(5)26(34)38-25(19(6)30)28(7,35)11-10-21(14)31/h10-11,14-20,23-25,27,30,33,35H,12-13H2,1-9H3/b11-10+/t14-,15+,16-,17+,18-,19-,20+,23-,24+,25-,27+,28+/m1/s1", "name": "Novapikromyin", "names": [ "Novapikromyin" ] }, { "compound_id": "C20741", "inchi": "InChI=1/C25H43NO8/c1-13-11-14(2)21(33-24-20(29)18(26(7)8)12-15(3)32-24)16(4)23(30)34-22(17(5)27)25(6,31)10-9-19(13)28/h9-10,13-18,20-22,24,27,29,31H,11-12H2,1-8H3/b10-9+/t13-,14+,15-,16-,17-,18+,20-,21+,22-,24+,25+/m1/s1", "name": "Novamethymycin", "names": [ "Novamethymycin" ] }, { "compound_id": "C20742", "inchi": "InChI=1/C15H22N5O16P3/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(33-14)1-31-38(27,28)36-39(29,30)32-2-6-9(22)11(35-37(24,25)26)15(34-6)20(13)3-17-7/h3-6,8-11,14-16,21-23H,1-2H2,(H,27,28)(H,29,30)(H2,24,25,26)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1/f/h24-25,27,29H", "name": "2'-Phospho-cyclic ADP-ribose", "names": [ "2'-Phospho-cyclic ADP-ribose" ] }, { "compound_id": "C20744", "inchi": "InChI=1/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1/f/h34,36H,22-23H2", "name": "alpha-NADH", "names": [ "alpha-NADH" ] }, { "compound_id": "C20745", "inchi": "InChI=1/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1/f/h33-34,36,38H,22-23H2", "name": "alpha-NADPH", "names": [ "alpha-NADPH" ] }, { "compound_id": "C20746", "inchi": "InChI=1/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19+,23-,26-/m1/s1/f/h28-29,39,42-43,45,47H,27H2", "name": "(3R)-Citramalyl-CoA", "names": [ "(3R)-Citramalyl-CoA" ] }, { "compound_id": "C20747", "inchi": "InChI=1/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t12-,13-,17-,18-,19+,23-/m1/s1/f/h27-28,39,41-42,44,46H,26H2", "name": "(R)-Malyl-CoA", "names": [ "(R)-Malyl-CoA" ] }, { "compound_id": "C20748", "inchi": "InChI=1/C28H47N8O17P3S/c1-28(2,23(40)26(41)31-9-8-18(37)30-10-12-57-19(38)7-6-11-36(3,4)5)14-50-56(47,48)53-55(45,46)49-13-17-22(52-54(42,43)44)21(39)27(51-17)35-16-34-20-24(29)32-15-33-25(20)35/h6-7,15-17,21-23,27,39-40H,8-14H2,1-5H3,(H7-,29,30,31,32,33,37,41,42,43,44,45,46,47,48)/p+1/b7-6+/t17-,21-,22-,23+,27-/m1/s1/fC28H48N8O17P3S/h30-31,42-43,45,47H,29H2/q+1", "name": "(E)-4-(Trimethylammonio)but-2-enoyl-CoA", "names": [ "(E)-4-(Trimethylammonio)but-2-enoyl-CoA" ] }, { "compound_id": "C20749", "inchi": "InChI=1/C28H49N8O17P3S/c1-28(2,23(40)26(41)31-9-8-18(37)30-10-12-57-19(38)7-6-11-36(3,4)5)14-50-56(47,48)53-55(45,46)49-13-17-22(52-54(42,43)44)21(39)27(51-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,39-40H,6-14H2,1-5H3,(H7-,29,30,31,32,33,37,41,42,43,44,45,46,47,48)/p+1/t17-,21-,22-,23+,27-/m1/s1/fC28H50N8O17P3S/h30-31,42-43,45,47H,29H2/q+1", "name": "4-Trimethylammoniobutanoyl-CoA", "names": [ "4-Trimethylammoniobutanoyl-CoA" ] }, { "compound_id": "C20750", "inchi": "InChI=1/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,37,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/p+1/t16-,17-,21-,22-,23+,27-/m1/s1/fC28H50N8O18P3S/h30-31,43-44,46,48H,29H2/q+1", "name": "L-Carnitinyl-CoA", "names": [ "L-Carnitinyl-CoA" ] }, { "compound_id": "C20760", "inchi": "InChI=1/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1", "name": "20-Oxo-5-O-beta-mycaminosyltylactone", "names": [ "20-Oxo-5-O-beta-mycaminosyltylactone" ] }, { "compound_id": "C20764", "inchi": "InChI=1/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/b20-15+/t18-,19-/m1/s1/f/h21-22H", "name": "Phytyl phosphate", "names": [ "Phytyl phosphate" ] }, { "compound_id": "C20765", "inchi": "InChI=1/C18H31N3O13P2/c1-9-7-21(17(24)20-16(9)23)13-5-11(22)12(32-13)8-30-35(25,26)34-36(27,28)33-14-6-18(3,19)15(29-4)10(2)31-14/h7,10-15,22H,5-6,8,19H2,1-4H3,(H,25,26)(H,27,28)(H,20,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1/f/h20,25,27H", "name": "dTDP-beta-L-evernosamine", "names": [ "dTDP-beta-L-evernosamine" ] }, { "compound_id": "C20766", "inchi": "InChI=1/C18H31N3O14P2/c1-9-7-21(17(24)19-16(9)23)13-5-11(22)12(33-13)8-31-36(26,27)35-37(28,29)34-14-6-18(3,20-25)15(30-4)10(2)32-14/h7,10-15,20,22,25H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1/f/h19,26,28H", "name": "dTDP-N-hydroxy-beta-L-evernosamine", "names": [ "dTDP-N-hydroxy-beta-L-evernosamine" ] }, { "compound_id": "C20767", "inchi": "InChI=1/C18H29N3O14P2/c1-9-7-21(17(24)19-16(9)23)13-5-11(22)12(33-13)8-31-36(26,27)35-37(28,29)34-14-6-18(3,20-25)15(30-4)10(2)32-14/h7,10-15,22H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1/f/h19,26,28H", "name": "dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose", "names": [ "dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose" ] }, { "compound_id": "C20768", "inchi": "InChI=1/C17H27N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,6,8,10-16,23-26H,5H2,1-2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t6-,8+,10+,11+,12+,13-,14+,15+,16+/m0/s1/f/h18-19,28,30H", "name": "UDP-2-acetamido-2,6-dideoxy-beta-L-talose", "names": [ "UDP-2-acetamido-2,6-dideoxy-beta-L-talose" ] }, { "compound_id": "C20770", "inchi": "InChI=1/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3", "name": "N-Methylpavine", "names": [ "N-Methylpavine" ] }, { "compound_id": "C20771", "inchi": "InChI=1/C20H23NO4/c1-22-17-7-11-5-15-14-10-20(25-4)18(23-2)8-12(14)6-16(21-15)13(11)9-19(17)24-3/h7-10,15-16,21H,5-6H2,1-4H3", "name": "(+/-)-Pavine", "names": [ "(+/-)-Pavine" ] }, { "compound_id": "C20772", "inchi": "InChI=1/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)/f/h11,13H", "name": "3-[(1-Carboxyvinyl)oxy]benzoate", "names": [ "3-[(1-Carboxyvinyl)oxy]benzoate" ] }, { "compound_id": "C20773", "inchi": "InChI=1/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1/f/h28H,20H2", "name": "6-Amino-6-deoxyfutalosine", "names": [ "6-Amino-6-deoxyfutalosine" ] }, { "compound_id": "C20774", "inchi": "InChI=1/C17H27N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,6,8,10-16,23-26H,5H2,1-2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1/f/h18-19,28,30H", "name": "UDP-N-acetyl-beta-L-fucosamine", "names": [ "UDP-N-acetyl-beta-L-fucosamine" ] }, { "compound_id": "C20775", "inchi": "InChI=1/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-/m0/s1/f/h12-13,15,17,19H", "name": "beta-Citryl-L-glutamate", "names": [ "beta-Citryl-L-glutamate" ] }, { "compound_id": "C20776", "inchi": "InChI=1/C16H23N3O11/c1-7(20)17-10(6-13(25)26)15(28)18-8(2-4-11(21)22)14(27)19-9(16(29)30)3-5-12(23)24/h8-10H,2-6H2,1H3,(H,17,20)(H,18,28)(H,19,27)(H,21,22)(H,23,24)(H,25,26)(H,29,30)/t8-,9-,10-/m0/s1/f/h17-19,21,23,25,29H", "name": "N-Acetylaspartylglutamylglutamate", "names": [ "N-Acetylaspartylglutamylglutamate" ] }, { "compound_id": "C20781", "inchi": "InChI=1/C6H8O5/c1-3(7)4(8)2-5(9)6(10)11/h3,7H,2H2,1H3,(H,10,11)/t3-/m0/s1/f/h10H", "name": "2,4-Diketo-3-deoxy-L-fuconate", "names": [ "2,4-Diketo-3-deoxy-L-fuconate" ] }, { "compound_id": "C20782", "inchi": "InChI=1/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m1/s1", "name": "(S)-2-Phenyloxirane", "names": [ "(S)-2-Phenyloxirane" ] }, { "compound_id": "C20783", "inchi": "InChI=1/C3H8/c1-3-2/h3H2,1-2H3", "name": "Propane", "names": [ "Propane" ] }, { "compound_id": "C20784", "inchi": "InChI=1/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/t8-,11-,12-,16-/m1/s1/f/h26,28,30H,18H2", "name": "ADP-5-ethyl-4-methylthiazole-2-carboxylate", "names": [ "ADP-5-ethyl-4-methylthiazole-2-carboxylate" ] }, { "compound_id": "C20787", "inchi": "InChI=1/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25,34-35,39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1", "name": "23,24-Dihydrocucurbitacin B", "names": [ "23,24-Dihydrocucurbitacin B" ] }, { "compound_id": "C20788", "inchi": "InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/f/h11,13H", "name": "Homocystine", "names": [ "Homocystine" ] }, { "compound_id": "C20789", "inchi": "InChI=1/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/t5-,6+,8+,10+/m0/s1/f/h11H", "name": "7-Deoxyloganetate", "names": [ "7-Deoxyloganetate" ] }, { "compound_id": "C20790", "inchi": "InChI=1/C11H16O4/c1-6-3-4-7-8(10(12)14-2)5-15-11(13)9(6)7/h5-7,9,11,13H,3-4H2,1-2H3/t6-,7+,9+,11+/m0/s1", "name": "7-Deoxyloganetin", "names": [ "7-Deoxyloganetin" ] }, { "compound_id": "C20797", "inchi": "InChI=1/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/f/h6H", "name": "2,3-Dihydroxypropane-1-sulfonate", "names": [ "2,3-Dihydroxypropane-1-sulfonate" ] }, { "compound_id": "C20798", "inchi": "InChI=1/C3H6O5S/c4-1-3(5)2-9(6,7)8/h1,3,5H,2H2,(H,6,7,8)/f/h6H", "name": "2-Hydroxy-3-oxopropane-1-sulfonate", "names": [ "2-Hydroxy-3-oxopropane-1-sulfonate" ] }, { "compound_id": "C20799", "inchi": "InChI=1/C18H15N3O7S/c1-7(22)20-10(18(26)27)6-29-16-14(19)11(23)5-13-15(16)21-9-4-8(17(24)25)2-3-12(9)28-13/h2-5,10H,6,19H2,1H3,(H,20,22)(H,24,25)(H,26,27)/t10-/m0/s1/f/h20,24,26H", "name": "Grixazone B", "names": [ "Grixazone B" ] }, { "compound_id": "C20800", "inchi": "InChI=1/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1/f/h13H", "name": "3-Methyl-L-tyrosine", "names": [ "3-Methyl-L-tyrosine" ] }, { "compound_id": "C20801", "inchi": "InChI=1/C10H13NO4/c1-5-2-6(3-7(11)10(14)15)4-8(12)9(5)13/h2,4,7,12-13H,3,11H2,1H3,(H,14,15)/t7-/m0/s1/f/h14H", "name": "3-Hydroxy-5-methyl-L-tyrosine", "names": [ "3-Hydroxy-5-methyl-L-tyrosine" ] }, { "compound_id": "C20802", "inchi": "InChI=1/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1/f/h9H", "name": "(4S)-4-Hydroxy-L-isoleucine", "names": [ "(4S)-4-Hydroxy-L-isoleucine" ] }, { "compound_id": "C20803", "inchi": "InChI=1/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)/f/h13H", "name": "5-Methyl-1-naphthoate", "names": [ "5-Methyl-1-naphthoate" ] }, { "compound_id": "C20804", "inchi": "InChI=1/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13-,15-/m1/s1", "name": "alpha-Longipinene", "names": [ "alpha-Longipinene" ] }, { "compound_id": "C20805", "inchi": "InChI=1/C12H10O3/c1-7-3-2-4-9-10(7)5-8(13)6-11(9)12(14)15/h2-6,13H,1H3,(H,14,15)/f/h14H", "name": "3-Hydroxy-5-methyl-1-naphthoate", "names": [ "3-Hydroxy-5-methyl-1-naphthoate" ] }, { "compound_id": "C20806", "inchi": "InChI=1/C31H46O3/c1-22(11-8-12-23(2)14-10-16-25(4)21-32)13-9-15-24(3)19-20-27-26(5)30(33)28-17-6-7-18-29(28)31(27)34/h6-7,17-19,22-23,25,32H,8-16,20-21H2,1-5H3/b24-19+", "name": "omega-Hydroxyphylloquinone", "names": [ "omega-Hydroxyphylloquinone" ] }, { "compound_id": "C20807", "inchi": "InChI=1/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h12H", "name": "3-Hydroxy-L-phenylalanine", "names": [ "3-Hydroxy-L-phenylalanine" ] }, { "compound_id": "C20808", "inchi": "InChI=1/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H3", "name": "2-Methyl-1-pyrroline", "names": [ "2-Methyl-1-pyrroline" ] }, { "compound_id": "C20809", "inchi": "InChI=1/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1", "name": "(R)-2-Methylpyrrolidine", "names": [ "(R)-2-Methylpyrrolidine" ] }, { "compound_id": "C20811", "inchi": "InChI=1/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1", "name": "(-)-exo-alpha-Bergamotene", "names": [ "(-)-exo-alpha-Bergamotene" ] }, { "compound_id": "C20813", "inchi": "InChI=1/C20H31N3O7S/c1-4-11-12-9-13(15(19(29)30)23(12)18(11)28)31-8-7-21-14(25)5-6-22-17(27)16(26)20(2,3)10-24/h11-12,16,24,26H,4-10H2,1-3H3,(H,21,25)(H,22,27)(H,29,30)/t11-,12-,16+/m1/s1/f/h21-22,29H", "name": "OA-6129 A", "names": [ "OA-6129 A" ] }, { "compound_id": "C20814", "inchi": "InChI=1/C20H31N3O11S2/c1-10(34-36(31,32)33)14-11-8-12(15(19(29)30)23(11)18(14)28)35-7-6-21-13(25)4-5-22-17(27)16(26)20(2,3)9-24/h10-11,14,16,24,26H,4-9H2,1-3H3,(H,21,25)(H,22,27)(H,29,30)(H,31,32,33)/t10-,11+,14-,16-/m0/s1/f/h21-22,29,31H", "name": "OA-6129 C", "names": [ "OA-6129 C" ] }, { "compound_id": "C20815", "inchi": "InChI=1/C13H16N2O9S2/c1-6(24-26(21,22)23)10-8-5-9(25(20)4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,21,22,23)/b4-3+/t6-,8+,10-,25?/m0/s1/f/h14,18,21H", "name": "MM 4550", "names": [ "MM 4550" ] }, { "compound_id": "C20816", "inchi": "InChI=1/C11H16N2O7S2/c1-5(20-22(17,18)19)8-6-4-7(21-3-2-12)9(11(15)16)13(6)10(8)14/h5-6,8H,2-4,12H2,1H3,(H,15,16)(H,17,18,19)/t5-,6+,8-/m0/s1/f/h15,17H", "name": "Deacetylepithienamycin F", "names": [ "Deacetylepithienamycin F" ] }, { "compound_id": "C20817", "inchi": "InChI=1/C9H14N2O3S/c10-1-2-15-6-3-5-4-7(12)11(5)8(6)9(13)14/h5-6,8H,1-4,10H2,(H,13,14)/t5-,6?,8?/m1/s1/f/h13H", "name": "C20817", "names": [ "C20817" ] }, { "compound_id": "C20818", "inchi": "InChI=1/C10H16N2O3S/c1-5-6-4-7(16-3-2-11)8(10(14)15)12(6)9(5)13/h5-8H,2-4,11H2,1H3,(H,14,15)/f/h14H", "name": "C20818", "names": [ "C20818" ] }, { "compound_id": "C20819", "inchi": "InChI=1/C11H18N2O3S/c1-2-6-7-5-8(17-4-3-12)9(11(15)16)13(7)10(6)14/h6-9H,2-5,12H2,1H3,(H,15,16)/f/h15H", "name": "C20819", "names": [ "C20819" ] }, { "compound_id": "C20820", "inchi": "InChI=1/C11H18N2O4S/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15/h5-9,14H,2-4,12H2,1H3,(H,16,17)/f/h16H", "name": "2,3-Dihydrothienamycin", "names": [ "2,3-Dihydrothienamycin" ] }, { "compound_id": "C20822", "inchi": "InChI=1/C10H14N2O3S/c1-5-6-4-7(16-3-2-11)8(10(14)15)12(6)9(5)13/h6-8H,1-4,11H2,(H,14,15)/f/h14H", "name": "C20822", "names": [ "C20822" ] }, { "compound_id": "C20823", "inchi": "InChI=1/C11H16N2O3S/c1-2-6-7-5-8(17-4-3-12)9(11(15)16)13(7)10(6)14/h2,7-9H,3-5,12H2,1H3,(H,15,16)/b6-2-/f/h15H", "name": "C20823", "names": [ "C20823" ] }, { "compound_id": "C20829", "inchi": "InChI=1/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6?/m1/s1/f/h11H", "name": "Sulfoquinovose", "names": [ "Sulfoquinovose" ] }, { "compound_id": "C20830", "inchi": "InChI=1/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6?/m1/s1/f/h11H", "name": "6-Deoxy-6-sulfo-D-fructose", "names": [ "6-Deoxy-6-sulfo-D-fructose" ] }, { "compound_id": "C20831", "inchi": "InChI=1/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6?/m1/s1/f/h10-11,13H", "name": "6-Deoxy-6-sulfo-D-fructose 1-phosphate", "names": [ "6-Deoxy-6-sulfo-D-fructose 1-phosphate" ] }, { "compound_id": "C20834", "inchi": "InChI=1/C20H34O/c1-13(2)15-8-10-19(4)12-16-14(3)6-7-18(16)20(5,21)11-9-17(15)19/h9,13-16,18,21H,6-8,10-12H2,1-5H3/b17-9-/t14-,15-,16-,18-,19-,20+/m0/s1", "name": "Cyclooctat-9-en-7-ol", "names": [ "Cyclooctat-9-en-7-ol" ] }, { "compound_id": "C20835", "inchi": "InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1", "name": "alpha-L-Fucopyranose", "names": [ "alpha-L-Fucopyranose" ] }, { "compound_id": "C20836", "inchi": "InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1", "name": "beta-L-Fucopyranose", "names": [ "beta-L-Fucopyranose" ] }, { "compound_id": "C20838", "inchi": "InChI=1/C34H52N7O19P3S/c1-33(2,28(47)31(48)37-11-9-23(44)36-12-13-64-24(45)7-4-18-19-5-6-22(43)34(19,3)10-8-20(18)42)15-57-63(54,55)60-62(52,53)56-14-21-27(59-61(49,50)51)26(46)32(58-21)41-17-40-25-29(35)38-16-39-30(25)41/h16-19,21,26-28,32,46-47H,4-15H2,1-3H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/t18-,19-,21+,26+,27+,28-,32+,34-/m0/s1/f/h36-37,49-50,52,54H,35H2", "name": "3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA", "names": [ "3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA" ] }, { "compound_id": "C20839", "inchi": "InChI=1/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1/f/h29H", "name": "(25S)-3-Oxocholest-4-en-26-oate", "names": [ "(25S)-3-Oxocholest-4-en-26-oate" ] }, { "compound_id": "C20840", "inchi": "InChI=1/C48H76N7O18P3S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)77-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-70-76(67,68)73-75(65,66)69-23-35-39(72-74(62,63)64)38(58)44(71-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/t27-,28-,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1/f/h50-51,62-63,65,67H,49H2", "name": "(25S)-3-Oxocholest-4-en-26-oyl-CoA", "names": [ "(25S)-3-Oxocholest-4-en-26-oyl-CoA" ] }, { "compound_id": "C20841", "inchi": "InChI=1/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)/f/h15H", "name": "2-Hydroxy-7-methoxy-5-methyl-1-naphthoate", "names": [ "2-Hydroxy-7-methoxy-5-methyl-1-naphthoate" ] }, { "compound_id": "C20842", "inchi": "InChI=1/C34H46N7O19P3S/c1-17-11-18(55-4)12-20-19(17)5-6-21(42)24(20)33(47)64-10-9-36-23(43)7-8-37-31(46)28(45)34(2,3)14-57-63(53,54)60-62(51,52)56-13-22-27(59-61(48,49)50)26(44)32(58-22)41-16-40-25-29(35)38-15-39-30(25)41/h5-6,11-12,15-16,22,26-28,32,42,44-45H,7-10,13-14H2,1-4H3,(H,36,43)(H,37,46)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/t22-,26-,27-,28+,32-/m1/s1/f/h36-37,48-49,51,53H,35H2", "name": "2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA", "names": [ "2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA" ] }, { "compound_id": "C20843", "inchi": "InChI=1/C11H14N2O3/c12-9(11(15)16)6-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1/f/h13,15H", "name": "N5-Phenyl-L-glutamine", "names": [ "N5-Phenyl-L-glutamine" ] }, { "compound_id": "C20844", "inchi": "InChI=1/C6H11NO5/c7-3(6(11)12)1-4(9)5(10)2-8/h1,4-5,8-10H,2,7H2,(H,11,12)/b3-1-/t4-,5+/m0/s1/f/h11H", "name": "(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate", "names": [ "(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate" ] }, { "compound_id": "C20845", "inchi": "InChI=1/C6H11NO5/c7-3(6(11)12)1-4(9)5(10)2-8/h4-5,7-10H,1-2H2,(H,11,12)/t4-,5+/m0/s1/f/h11H", "name": "(4S,5R)-4,5,6-Trihydroxy-2-iminohexanoate", "names": [ "(4S,5R)-4,5,6-Trihydroxy-2-iminohexanoate" ] }, { "compound_id": "C20846", "inchi": "InChI=1/C5H8N2O4/c1-2(4(9)10)3(8)7-5(6)11/h2H,1H3,(H,9,10)(H3,6,7,8,11)/f/h7,9H,6H2", "name": "3-Oxo-3-ureidoisobutyrate", "names": [ "3-Oxo-3-ureidoisobutyrate" ] }, { "compound_id": "C20847", "inchi": "InChI=1/C6H13O7P/c1-6(2-3-7,4-5(8)9)13-14(10,11)12/h7H,2-4H2,1H3,(H,8,9)(H2,10,11,12)/t6-/m1/s1/f/h8,10-11H", "name": "(R)-Mevalonate 3-phosphate", "names": [ "(R)-Mevalonate 3-phosphate" ] }, { "compound_id": "C20848", "inchi": "InChI=1/C6H14O10P2/c1-6(4-5(7)8,16-18(12,13)14)2-3-15-17(9,10)11/h2-4H2,1H3,(H,7,8)(H2,9,10,11)(H2,12,13,14)/t6-/m1/s1/f/h7,9-10,12-13H", "name": "(R)-Mevalonate 3,5-bisphosphate", "names": [ "(R)-Mevalonate 3,5-bisphosphate" ] }, { "compound_id": "C20849", "inchi": "InChI=1/C17H25N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-12,14-16,21,24-25,27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,14-,15-,16-/m1/s1/f/h18-19,29,31H", "name": "UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose", "names": [ "UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose" ] }, { "compound_id": "C20850", "inchi": "InChI=1/C5H12N2O3/c6-4(5(8)9)2-1-3-7-10/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1/f/h8H", "name": "N5-Hydroxy-L-ornithine", "names": [ "N5-Hydroxy-L-ornithine" ] }, { "compound_id": "C20851", "inchi": "InChI=1/C19H32O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,12-18,20-21H,3,6-11H2,1-2H3,(H,22,23)/t12-,13+,14+,15-,16-,17+,18+/m1/s1/f/h22H", "name": "Dihydromonacolin L acid", "names": [ "Dihydromonacolin L acid" ] }, { "compound_id": "C20852", "inchi": "InChI=1/C19H32O5/c1-11-3-5-17-13(7-11)8-18(22)12(2)16(17)6-4-14(20)9-15(21)10-19(23)24/h8,11-12,14-18,20-22H,3-7,9-10H2,1-2H3,(H,23,24)/t11-,12-,14-,15-,16+,17+,18-/m1/s1/f/h23H", "name": "3alpha-Hydroxy-3,5-dihydromonacolin L acid", "names": [ "3alpha-Hydroxy-3,5-dihydromonacolin L acid" ] }, { "compound_id": "C20853", "inchi": "InChI=1/C19H30O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,9,12-13,15-18,20-21H,3,6-8,10-11H2,1-2H3,(H,22,23)/t12-,13+,15-,16-,17+,18+/m1/s1/f/h22H", "name": "Monacolin L acid", "names": [ "Monacolin L acid" ] }, { "compound_id": "C20854", "inchi": "InChI=1/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14+,15+,16-,17-,19-/m0/s1/f/h23H", "name": "Monacolin J acid", "names": [ "Monacolin J acid" ] }, { "compound_id": "C20855", "inchi": "InChI=1/C22H32O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h2-5,8-11,14-17,23H,1,6-7,12-13,18-21H2,(H,24,25)/b4-2-,5-3-,10-8-,11-9-,16-14-,17-15-/f/h24H", "name": "22-Hydroxydocosahexaenoate", "names": [ "22-Hydroxydocosahexaenoate" ] }, { "compound_id": "C20856", "inchi": "InChI=1/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)/f/h14H", "name": "2-Hydroxy-5-methyl-1-naphthoate", "names": [ "2-Hydroxy-5-methyl-1-naphthoate" ] }, { "compound_id": "C20857", "inchi": "InChI=1/C12H10O4/c1-6-4-7(13)5-9-8(6)2-3-10(14)11(9)12(15)16/h2-5,13-14H,1H3,(H,15,16)/f/h15H", "name": "2,7-Dihydroxy-5-methyl-1-naphthoate", "names": [ "2,7-Dihydroxy-5-methyl-1-naphthoate" ] }, { "compound_id": "C20861", "inchi": "InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11?,12+/m1/s1", "name": "Mannobiose", "names": [ "Mannobiose" ] }, { "compound_id": "C20870", "inchi": "InChI=1/C25H42N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1/f/h27-28,38-39,41,43H,26H2", "name": "3-(Methylthio)propanoyl-CoA", "names": [ "3-(Methylthio)propanoyl-CoA" ] }, { "compound_id": "C20871", "inchi": "InChI=1/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H", "name": "3'-Hydroxyflavone", "names": [ "3'-Hydroxyflavone" ] }, { "compound_id": "C20872", "inchi": "InChI=1/C16H12O3/c1-18-12-6-4-5-11(9-12)16-10-14(17)13-7-2-3-8-15(13)19-16/h2-10H,1H3", "name": "3'-Methoxyflavone", "names": [ "3'-Methoxyflavone" ] }, { "compound_id": "C20887", "inchi": "InChI=1/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10+,11+,12-,13?,14+/m1/s1/f/h15H", "name": "beta-D-Mannosyl-1,4-N-acetyl-D-glucosamine", "names": [ "beta-D-Mannosyl-1,4-N-acetyl-D-glucosamine" ] }, { "compound_id": "C20888", "inchi": "InChI=1/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1/f/h21H", "name": "Cellobionate", "names": [ "Cellobionate" ] }, { "compound_id": "C20889", "inchi": "InChI=1/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2+,3+,4-/m0/s1/f/h10H", "name": "D-Galactaro-1,5-lactone", "names": [ "D-Galactaro-1,5-lactone" ] }, { "compound_id": "C20890", "inchi": "InChI=1/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1/f/h10H", "name": "D-Glucaro-1,5-lactone", "names": [ "D-Glucaro-1,5-lactone" ] }, { "compound_id": "C20891", "inchi": "InChI=1/C3H3NO2/c5-3-1-2-4-6-3/h1-2,4H", "name": "Isoxazolin-5-one", "names": [ "Isoxazolin-5-one" ] }, { "compound_id": "C20892", "inchi": "InChI=1/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)/t4-/m0/s1/f/h10H", "name": "3-(5-Oxoisoxazolin-2-yl)-L-alanine", "names": [ "3-(5-Oxoisoxazolin-2-yl)-L-alanine" ] }, { "compound_id": "C20893", "inchi": "InChI=1/C6H8N2O4/c7-4(5(9)10)1-3-2-8-12-6(3)11/h2,4,8H,1,7H2,(H,9,10)/t4-/m0/s1/f/h9H", "name": "3-(5-Oxoisoxazolin-4-yl)-L-alanine", "names": [ "3-(5-Oxoisoxazolin-4-yl)-L-alanine" ] }, { "compound_id": "C20894", "inchi": "InChI=1/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1", "name": "beta-Citraurin", "names": [ "beta-Citraurin" ] }, { "compound_id": "C20895", "inchi": "InChI=1/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1/f/h12H", "name": "(2S,3S)-3-Methylphenylalanine", "names": [ "(2S,3S)-3-Methylphenylalanine" ] }, { "compound_id": "C20896", "inchi": "InChI=1/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m1/s1/f/h10H", "name": "D-Galactaro-1,4-lactone", "names": [ "D-Galactaro-1,4-lactone" ] }, { "compound_id": "C20899", "inchi": "InChI=1/C6H4O3/c7-3-5-1-2-6(4-8)9-5/h1-4H", "name": "Furan-2,5-dicarbaldehyde", "names": [ "Furan-2,5-dicarbaldehyde" ] }, { "compound_id": "C20900", "inchi": "InChI=1/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3,6,8-9H", "name": "5-(Dihydroxymethyl)furan-2-carbaldehyde", "names": [ "5-(Dihydroxymethyl)furan-2-carbaldehyde" ] }, { "compound_id": "C20901", "inchi": "InChI=1/C6H6O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,5,7-8H,(H,9,10)/f/h9H", "name": "5-(Dihydroxymethyl)furan-2-carboxylate", "names": [ "5-(Dihydroxymethyl)furan-2-carboxylate" ] }, { "compound_id": "C20902", "inchi": "InChI=1/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1", "name": "3,6-Anhydro-alpha-L-galactopyranose", "names": [ "3,6-Anhydro-alpha-L-galactopyranose" ] }, { "compound_id": "C20903", "inchi": "InChI=1/C6H10O6/c7-2-1-12-5(3(2)8)4(9)6(10)11/h2-5,7-9H,1H2,(H,10,11)/t2-,3+,4-,5+/m0/s1/f/h10H", "name": "3,6-Anhydro-L-galactonate", "names": [ "3,6-Anhydro-L-galactonate" ] }, { "compound_id": "C20904", "inchi": "InChI=1/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)/f/h5H", "name": "2-Iminopropanoate", "names": [ "2-Iminopropanoate" ] }, { "compound_id": "C20905", "inchi": "InChI=1/C4H7NO2/c1-2-3(5)4(6)7/h5H,2H2,1H3,(H,6,7)/f/h6H", "name": "2-Iminobutanoate", "names": [ "2-Iminobutanoate" ] }, { "compound_id": "C20910", "inchi": "InChI=1/C14H21N5O4/c15-11(8-3-5-9(20)6-4-8)12(21)19-10(13(22)23)2-1-7-18-14(16)17/h3-6,10-11,20H,1-2,7,15H2,(H,19,21)(H,22,23)(H4,16,17,18)/t10-,11-/m0/s1/f/h16,18-19,22H,17H2", "name": "L-4-Hydroxyphenylglycyl-L-arginine", "names": [ "L-4-Hydroxyphenylglycyl-L-arginine" ] }, { "compound_id": "C20913", "inchi": "InChI=1/C8H14N2O6/c9-4(7(13)14)2-1-3(6(11)12)5(10)8(15)16/h3-5H,1-2,9-10H2,(H,11,12)(H,13,14)(H,15,16)/t3?,4-,5?/m0/s1/f/h11,13,15H", "name": "C20913", "names": [ "C20913" ] }, { "compound_id": "C20914", "inchi": "InChI=1/C7H14N2O4/c8-3-4(6(10)11)1-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4?,5-/m0/s1/f/h10,12H", "name": "C20914", "names": [ "C20914" ] }, { "compound_id": "C20917", "inchi": "InChI=1/C11H19N3O6/c1-5(15)7(9(17)18)14-8(16)6(12)2-3-11(20)4-13-10(11)19/h5-7,15,20H,2-4,12H2,1H3,(H,13,19)(H,14,16)(H,17,18)/t5-,6+,7+,11+/m1/s1/f/h13-14,17H", "name": "Tabtoxin", "names": [ "Tabtoxin" ] }, { "compound_id": "C20918", "inchi": "InChI=1/C7H12N2O4/c8-4(5(10)11)1-2-7(13)3-9-6(7)12/h4,13H,1-3,8H2,(H,9,12)(H,10,11)/t4-,7-/m0/s1/f/h9-10H", "name": "Tabtoxinine-beta-lactam", "names": [ "Tabtoxinine-beta-lactam" ] }, { "compound_id": "C20919", "inchi": "InChI=1/C11H19N3O6/c1-5(15)7(9(17)18)14-8(16)6-2-3-11(20,4-12)10(19)13-6/h5-7,15,20H,2-4,12H2,1H3,(H,13,19)(H,14,16)(H,17,18)/t5-,6+,7+,11+/m1/s1/f/h13-14,17H", "name": "Isotabtoxin", "names": [ "Isotabtoxin" ] }, { "compound_id": "C20920", "inchi": "InChI=1/C7H12N2O4/c8-3-7(13)2-1-4(5(10)11)9-6(7)12/h4,13H,1-3,8H2,(H,9,12)(H,10,11)/t4-,7-/m0/s1/f/h9-10H", "name": "Tabtoxinine-delta-lactam", "names": [ "Tabtoxinine-delta-lactam" ] }, { "compound_id": "C20921", "inchi": "InChI=1/C9H14N2O5/c1-5(12)11-6(7(13)14)2-3-9(16)4-10-8(9)15/h6,16H,2-4H2,1H3,(H,10,15)(H,11,12)(H,13,14)/t6-,9-/m0/s1/f/h10-11,13H", "name": "N1-Acetyl-tabtoxinine-beta-lactam", "names": [ "N1-Acetyl-tabtoxinine-beta-lactam" ] }, { "compound_id": "C20922", "inchi": "InChI=1/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+", "name": "Cembrene C", "names": [ "Cembrene C" ] }, { "compound_id": "C20923", "inchi": "InChI=1/C20H34O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,19,21H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t19-/m0/s1", "name": "(R)-Nephthenol", "names": [ "(R)-Nephthenol" ] }, { "compound_id": "C20924", "inchi": "InChI=1/C20H34O/c1-16-8-6-10-17(2)12-13-19(21)20(4,5)15-14-18(3)11-7-9-16/h9-10,14,19,21H,6-8,11-13,15H2,1-5H3/b16-9+,17-10+,18-14+/t19-/m0/s1", "name": "(1S,4E,8E,12E)-2,2,5,9,13-Pentamethylcyclopentadeca-4,8,12-trien-1-ol", "names": [ "(1S,4E,8E,12E)-2,2,5,9,13-Pentamethylcyclopentadeca-4,8,12-trien-1-ol" ] }, { "compound_id": "C20925", "inchi": "InChI=1/C15H26N4O8/c1-7(16)12(21)19-10(15(26)27)5-6-11(20)18-9(14(24)25)4-2-3-8(17)13(22)23/h7-10H,2-6,16-17H2,1H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)/t7-,8+,9-,10+/m0/s1/f/h18-19,22,24,26H", "name": "L-Alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate", "names": [ "L-Alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate" ] }, { "compound_id": "C20926", "inchi": "InChI=1/C13H18N2O4/c14-11(13(18)19)5-6-12(17)15-8-7-9-1-3-10(16)4-2-9/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)/t11-/m0/s1/f/h15,18H", "name": "gamma-Glutamyltyramine", "names": [ "gamma-Glutamyltyramine" ] }, { "compound_id": "C20936", "inchi": "InChI=1/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1/f/h50-51,53,55,57,59H,31-33H2", "name": "pppA2'p5'A2'p5'A", "names": [ "pppA2'p5'A2'p5'A" ] }, { "compound_id": "C20940", "inchi": "InChI=1/C9H15NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-8,11H,1-3,10H2,(H,12,13)/t4-,5-,6+,7+,8-/m0/s1/f/h12H", "name": "L-Dihydroanticapsin", "names": [ "L-Dihydroanticapsin" ] }, { "compound_id": "C20941", "inchi": "InChI=1/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5-,7+,8-/m0/s1/f/h12H", "name": "L-Anticapsin", "names": [ "L-Anticapsin" ] }, { "compound_id": "C20942", "inchi": "InChI=1/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6-,7-,9+,10-/m0/s1/f/h14,17H", "name": "Bacilysin", "names": [ "Bacilysin" ] }, { "compound_id": "C20943", "inchi": "InChI=1/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3/t10-/m0/s1", "name": "(R)-Ipsdienol", "names": [ "(R)-Ipsdienol" ] }, { "compound_id": "C20944", "inchi": "InChI=1/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3", "name": "Ipsdienone", "names": [ "Ipsdienone" ] }, { "compound_id": "C20945", "inchi": "InChI=1/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1", "name": "Erythrodiol", "names": [ "Erythrodiol" ] }, { "compound_id": "C20946", "inchi": "InChI=1/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1", "name": "Oleanolic aldehyde", "names": [ "Oleanolic aldehyde" ] }, { "compound_id": "C20953", "inchi": "InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-3,7,10H,4-5H2,(H,12,13)/t7-/m0/s1/f/h12H", "name": "3-[(4R)-4-Hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate", "names": [ "3-[(4R)-4-Hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate" ] }, { "compound_id": "C20954", "inchi": "InChI=1/C6H7O6P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1-3H,4H2,(H2,8,9,10)/f/h8-9H", "name": "(5-Formylfuran-3-yl)methyl phosphate", "names": [ "(5-Formylfuran-3-yl)methyl phosphate" ] }, { "compound_id": "C20955", "inchi": "InChI=1/C25H40N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h5,8,12-14,18-20,24,35-36H,4,6-7,9-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b8-5+/t14-,18-,19-,20+,24-/m1/s1/f/h27-28,38-39,41,43H,26H2", "name": "3-(Methylthio)acryloyl-CoA", "names": [ "3-(Methylthio)acryloyl-CoA" ] }, { "compound_id": "C20956", "inchi": "InChI=1/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7+/m1/s1/f/h13-14H", "name": "alpha-D-Sedoheptulopyranose 7-phosphate", "names": [ "alpha-D-Sedoheptulopyranose 7-phosphate" ] }, { "compound_id": "C20957", "inchi": "InChI=1/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5+/m0/s1/f/h10-11,14H", "name": "L-Alanyl-D-glutamate", "names": [ "L-Alanyl-D-glutamate" ] }, { "compound_id": "C20958", "inchi": "InChI=1/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1/f/h10-11,14H", "name": "L-Alanyl-L-glutamate", "names": [ "L-Alanyl-L-glutamate" ] }, { "compound_id": "C20959", "inchi": "InChI=1/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m0/s1/f/h9-10H", "name": "(4S)-4-Hydroxy-5-phosphonooxypentane-2,3-dione", "names": [ "(4S)-4-Hydroxy-5-phosphonooxypentane-2,3-dione" ] }, { "compound_id": "C20960", "inchi": "InChI=1/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h5,8H,2H2,1H3,(H2,9,10,11)/f/h9-10H", "name": "3-Hydroxy-5-phosphonooxypentane-2,4-dione", "names": [ "3-Hydroxy-5-phosphonooxypentane-2,4-dione" ] }, { "compound_id": "C20961", "inchi": "InChI=1/C7H10N2O5/c8-4(7(13)14)3-9-5(10)1-2-6(11)12/h1-2,4H,3,8H2,(H,9,10)(H,11,12)(H,13,14)/b2-1+/t4-/m0/s1/f/h9,11,13H", "name": "N3-Fumaroyl-(S)-2,3-diaminopropanoate", "names": [ "N3-Fumaroyl-(S)-2,3-diaminopropanoate" ] }, { "compound_id": "C20968", "inchi": "InChI=1/C25H42N7O18P3S2/c1-25(2,20(37)23(38)28-5-4-14(33)27-6-7-55-16(35)8-15(34)54-3)10-47-53(44,45)50-52(42,43)46-9-13-19(49-51(39,40)41)18(36)24(48-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,15,18-20,24,34,36-37H,4-10H2,1-3H3,(H,27,33)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,15?,18-,19-,20+,24-/m1/s1/f/h27-28,39-40,42,44H,26H2", "name": "3-Hydroxy-3-(methylthio)propanoyl-CoA", "names": [ "3-Hydroxy-3-(methylthio)propanoyl-CoA" ] }, { "compound_id": "C20969", "inchi": "InChI=1/CH3O6P/c2-1(3)7-8(4,5)6/h(H,2,3)(H2,4,5,6)/f/h2,4-5H", "name": "Carboxyphosphate", "names": [ "Carboxyphosphate" ] }, { "compound_id": "C20974", "inchi": "InChI=1/C28H28O15/c1-8-15-10(6-12(16(8)25(37)41-4)43-26-21(33)20(32)18(30)9(2)42-26)5-11-17(19(15)31)24(36)27(38)14(29)7-13(40-3)23(35)28(27,39)22(11)34/h5-7,9,18,20-21,23,26,30-33,35,38-39H,1-4H3/t9-,18-,20+,21+,23+,26-,27+,28+/m0/s1", "name": "8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C", "names": [ "8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C" ] }, { "compound_id": "C20975", "inchi": "InChI=1/C29H30O15/c1-9-16-11(7-13(17(9)26(37)42-5)44-27-22(41-4)21(33)19(31)10(2)43-27)6-12-18(20(16)32)25(36)28(38)15(30)8-14(40-3)24(35)29(28,39)23(12)34/h6-8,10,19,21-22,24,27,31-33,35,38-39H,1-5H3/t10-,19-,21+,22+,24+,27-,28+,29+/m0/s1", "name": "8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C", "names": [ "8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C" ] }, { "compound_id": "C20976", "inchi": "InChI=1/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1", "name": "8-Demethyl-8-(2,3-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C", "names": [ "8-Demethyl-8-(2,3-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C" ] }, { "compound_id": "C20977", "inchi": "InChI=1/C31H34O15/c1-11-18-13(9-15(19(11)28(37)44-7)46-29-24(43-6)23(42-5)22(41-4)12(2)45-29)8-14-20(21(18)33)27(36)30(38)17(32)10-16(40-3)26(35)31(30,39)25(14)34/h8-10,12,22-24,26,29,33,35,38-39H,1-7H3/t12-,22-,23+,24+,26+,29-,30+,31+/m0/s1", "name": "8-Demethyl-8-(2,3,4-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C", "names": [ "8-Demethyl-8-(2,3,4-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C" ] }, { "compound_id": "C20980", "inchi": "InChI=1/C13H12O3/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3,(H,14,15)/f/h14H", "name": "3-Methoxy-5-methyl-1-naphthoate", "names": [ "3-Methoxy-5-methyl-1-naphthoate" ] }, { "compound_id": "C20981", "inchi": "InChI=1/C13H10N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7,14-15H,(H,16,17)/f/h16H", "name": "5,10-Dihydrophenazine-1-carboxylate", "names": [ "5,10-Dihydrophenazine-1-carboxylate" ] }, { "compound_id": "C20982", "inchi": "InChI=1/C18H18N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9,19-20H,10H2,1-2H3,(H,21,22)/f/h21H", "name": "9-(Dimethylallyl)-5,10-dihydrophenazine-1-carboxylate", "names": [ "9-(Dimethylallyl)-5,10-dihydrophenazine-1-carboxylate" ] }, { "compound_id": "C20983", "inchi": "InChI=1/C14H19NO3/c1-10(2)7-8-18-12-5-3-11(4-6-12)9-13(15)14(16)17/h3-7,13H,8-9,15H2,1-2H3,(H,16,17)/t13-/m0/s1/f/h16H", "name": "4-O-Dimethylallyl-L-tyrosine", "names": [ "4-O-Dimethylallyl-L-tyrosine" ] }, { "compound_id": "C20984", "inchi": "InChI=1/C20H22O5/c1-5-20(4,8-6-7-11(2)3)16-18(24)15-13(17(23)19(16)25)9-12(21)10-14(15)22/h5,7,9-10,21-22,25H,1,6,8H2,2-4H3", "name": "3-Linalylflaviolin", "names": [ "3-Linalylflaviolin" ] }, { "compound_id": "C20985", "inchi": "InChI=1/C12H22O14S/c13-1-3-5(15)7(17)9(19)11(23-3)25-12-10(26-27(20,21)22)8(18)6(16)4(2-14)24-12/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1/f/h20H", "name": "2-Sulfotrehalose", "names": [ "2-Sulfotrehalose" ] }, { "compound_id": "C20986", "inchi": "InChI=1/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(7)4(3)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5?/m1/s1/f/h8-9,11-12H", "name": "D-Ribose 2,5-bisphosphate", "names": [ "D-Ribose 2,5-bisphosphate" ] }, { "compound_id": "C20987", "inchi": "InChI=1/C24H40N7O19P3S2/c1-24(2,19(35)22(36)27-5-3-14(32)26-6-7-54-15(33)4-8-55(44)45)10-47-53(42,43)50-52(40,41)46-9-13-18(49-51(37,38)39)17(34)23(48-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,3-10H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H,44,45)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1/f/h26-27,37-38,40,42,44H,25H2", "name": "3-Sulfinopropanoyl-CoA", "names": [ "3-Sulfinopropanoyl-CoA" ] }, { "compound_id": "C20992", "inchi": "InChI=1/C17H28O3/c1-5-14(9-7-8-13(3)12-16(18)19)10-11-15-17(4,6-2)20-15/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,19)/b13-12+,14-9+/t15-,17+/m1/s1/f/h18H", "name": "Juvenile hormone I acid", "names": [ "Juvenile hormone I acid" ] }, { "compound_id": "C20993", "inchi": "InChI=1/C9H14N4O5S/c10-4(8(14)15)1-6-7(13-3-12-6)19(18)2-5(11)9(16)17/h3-5H,1-2,10-11H2,(H,12,13)(H,14,15)(H,16,17)/t4-,5-,19?/m0/s1/f/h13-14,16H", "name": "S-(L-Histidin-5-yl)-L-cysteine S-oxide", "names": [ "S-(L-Histidin-5-yl)-L-cysteine S-oxide" ] }, { "compound_id": "C20994", "inchi": "InChI=1/C12H20N4O5S/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)22(21)6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/p+1/t8-,9-,22?/m0/s1/fC12H21N4O5S/h14,17,19H/q+1", "name": "S-(Hercyn-2-yl)-L-cysteine S-oxide", "names": [ "S-(Hercyn-2-yl)-L-cysteine S-oxide" ] }, { "compound_id": "C20995", "inchi": "InChI=1/C17H27N5O8S/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)31(30)8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/p+1/t10-,11-,12-,31?/m0/s1/fC17H28N5O8S/h19,21,24,26,28H/q+1", "name": "gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide", "names": [ "gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide" ] }, { "compound_id": "C21001", "inchi": "InChI=1/C12H10O5/c1-5-10(15)9-7(11(16)12(5)17-2)3-6(13)4-8(9)14/h3-4,13-14H,1-2H3", "name": "2-O,3-Dimethylflaviolin", "names": [ "2-O,3-Dimethylflaviolin" ] }, { "compound_id": "C21002", "inchi": "InChI=1/C22H26O5/c1-7-22(5,10-8-9-12(2)3)17-15(23)11-14-16(20(17)26)18(24)13(4)21(27-6)19(14)25/h7,9,11,23,26H,1,8,10H2,2-6H3", "name": "6-Linalyl-2-O,3-dimethylflaviolin", "names": [ "6-Linalyl-2-O,3-dimethylflaviolin" ] }, { "compound_id": "C21003", "inchi": "InChI=1/C22H26O5/c1-13(2)7-6-8-14(3)9-10-27-16-11-17-19(18(23)12-16)20(24)15(4)22(26-5)21(17)25/h7,9,11-12,23H,6,8,10H2,1-5H3/b14-9+", "name": "7-O-Geranyl-2-O,3-dimethylflaviolin", "names": [ "7-O-Geranyl-2-O,3-dimethylflaviolin" ] }, { "compound_id": "C21004", "inchi": "InChI=1/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2", "name": "Norspermine", "names": [ "Norspermine" ] }, { "compound_id": "C21005", "inchi": "InChI=1/C39H68N7O18P3S/c1-39(2,34(51)37(52)42-20-19-29(48)41-21-23-68-30(49)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-47)25-61-67(58,59)64-66(56,57)60-24-28-33(63-65(53,54)55)32(50)38(62-28)46-27-45-31-35(40)43-26-44-36(31)46/h3-4,26-28,32-34,38,47,50-51H,5-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b4-3-/t28-,32-,33-,34+,38-/m1/s1/f/h41-42,53-54,56,58H,40H2", "name": "18-Hydroxyoleoyl-CoA", "names": [ "18-Hydroxyoleoyl-CoA" ] }, { "compound_id": "C21006", "inchi": "InChI=1/C39H66N7O18P3S/c1-39(2,34(51)37(52)42-20-19-29(48)41-21-23-68-30(49)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-47)25-61-67(58,59)64-66(56,57)60-24-28-33(63-65(53,54)55)32(50)38(62-28)46-27-45-31-35(40)43-26-44-36(31)46/h3-4,7,9,26-28,32-34,38,47,50-51H,5-6,8,10-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b4-3-,9-7-/t28-,32-,33-,34+,38-/m1/s1/f/h41-42,53-54,56,58H,40H2", "name": "18-Hydroxylinoleoyl-CoA", "names": [ "18-Hydroxylinoleoyl-CoA" ] }, { "compound_id": "C21007", "inchi": "InChI=1/C9H15N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h3-4,6,12,15-17H,1-2H2,(H4,10,11,13,14,18)/t3?,4-,6-/m0/s1/f/h11,14H,10H2", "name": "5,6,7,8-Tetrahydromonapterin", "names": [ "5,6,7,8-Tetrahydromonapterin" ] }, { "compound_id": "C21008", "inchi": "InChI=1/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1/f/h11,14H,10H2", "name": "7,8-Dihydromonapterin", "names": [ "7,8-Dihydromonapterin" ] }, { "compound_id": "C21015", "inchi": "InChI=1/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6-/m0/s1/f/h11,13,15H", "name": "gamma-L-Glutamyl-L-2-aminobutyrate", "names": [ "gamma-L-Glutamyl-L-2-aminobutyrate" ] }, { "compound_id": "C21016", "inchi": "InChI=1/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1/f/h13-14,16,19H", "name": "Ophthalmate", "names": [ "Ophthalmate" ] }, { "compound_id": "C21017", "inchi": "InChI=1/C15H24N4O8P2S/c1-4-12(20)15-19(8-11-7-17-10(3)18-14(11)16)9(2)13(30-15)5-6-26-29(24,25)27-28(21,22)23/h7,12,20H,4-6,8H2,1-3H3,(H4-,16,17,18,21,22,23,24,25)/p+1/fC15H25N4O8P2S/h21-22,24H,16H2/q+1", "name": "2-(alpha-Hydroxypropyl)thiamine diphosphate", "names": [ "2-(alpha-Hydroxypropyl)thiamine diphosphate" ] }, { "compound_id": "C21026", "inchi": "InChI=1/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)/f/h8,10-11H,9H2", "name": "Iminoarginine", "names": [ "Iminoarginine" ] }, { "compound_id": "C21027", "inchi": "InChI=1/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1/f/h12,16,18-19H", "name": "N-Acetylmuramic acid alpha-1-phosphate", "names": [ "N-Acetylmuramic acid alpha-1-phosphate" ] }, { "compound_id": "C21028", "inchi": "InChI=1/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m1/s1/f/h6-7H", "name": "(R)-5,6-Dihydrothymine", "names": [ "(R)-5,6-Dihydrothymine" ] }, { "compound_id": "C21029", "inchi": "InChI=1/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m1/s1/f/h7-8H,6H2", "name": "(R)-3-Ureidoisobutyrate", "names": [ "(R)-3-Ureidoisobutyrate" ] }, { "compound_id": "C21030", "inchi": "InChI=1/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m1/s1/f/h6H", "name": "(R)-Methylmalonate semialdehyde", "names": [ "(R)-Methylmalonate semialdehyde" ] }, { "compound_id": "C21064", "inchi": "InChI=1/C6H10O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H,11,12,13)/t2-,3-,4+,5-/m1/s1/f/h11H", "name": "6-Deoxy-6-sulfo-D-glucono-1,5-lactone", "names": [ "6-Deoxy-6-sulfo-D-glucono-1,5-lactone" ] }, { "compound_id": "C21065", "inchi": "InChI=1/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H2,(H,9,12)(H4,7,8,10,11,13)/f/h8-9,11H,7H2", "name": "7,8-Dihydroxanthopterin", "names": [ "7,8-Dihydroxanthopterin" ] }, { "compound_id": "C21068", "inchi": "InChI=1/C6H10NO5P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1,3H,2,4,7H2,(H2,8,9,10)/f/h8-9H", "name": "[5-(aminomethyl)furan-3-yl]methyl phosphate", "names": [ "[5-(aminomethyl)furan-3-yl]methyl phosphate" ] }, { "compound_id": "C21069", "inchi": "InChI=1/C6H11NO8P2/c7-2-6-1-5(3-13-6)4-14-17(11,12)15-16(8,9)10/h1,3H,2,4,7H2,(H,11,12)(H2,8,9,10)/f/h8-9,11H", "name": "[5-(aminomethyl)furan-3-yl]methyl diphosphate", "names": [ "[5-(aminomethyl)furan-3-yl]methyl diphosphate" ] }, { "compound_id": "C21070", "inchi": "InChI=1/C19H25N3O5/c20-10-16-9-14(12-27-16)11-26-15-3-1-13(2-4-15)7-8-22-18(23)6-5-17(21)19(24)25/h1-4,9,12,17H,5-8,10-11,20-21H2,(H,22,23)(H,24,25)/f/h22,24H", "name": "(4-{4-[2-(gamma-L-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine", "names": [ "(4-{4-[2-(gamma-L-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine" ] }, { "compound_id": "C21071", "inchi": "InChI=1/C17H26N2O14P2/c1-8-6-19(17(23)18-16(8)22)13-4-10(20)12(31-13)7-29-34(24,25)33-35(26,27)32-14-5-11(28-3)15(21)9(2)30-14/h6,9-14,20H,4-5,7H2,1-3H3,(H,24,25)(H,26,27)(H,18,22,23)/t9-,10-,11-,12+,13+,14+/m0/s1/f/h18,24,26H", "name": "dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose", "names": [ "dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose" ] }, { "compound_id": "C21073", "inchi": "InChI=1/C18H29N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-15,22H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11-,12+,13-,14-,15-/m1/s1/f/h19,26,28H", "name": "dTDP-3-N,N-dimethylamino-2,3,6-trideoxy-4-keto-D-glucose", "names": [ "dTDP-3-N,N-dimethylamino-2,3,6-trideoxy-4-keto-D-glucose" ] }, { "compound_id": "C21074", "inchi": "InChI=1/C18H29N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-15,22H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11+,12-,13+,14+,15+/m0/s1/f/h19,26,28H", "name": "dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-L-allose", "names": [ "dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-L-allose" ] }, { "compound_id": "C21075", "inchi": "InChI=1/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)/f/h13H", "name": "5-(N-Methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol", "names": [ "5-(N-Methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol" ] }, { "compound_id": "C21078", "inchi": "InChI=1/C12H14O2/c1-11(6-3-4-9-13)7-5-8-12(2)10-14/h3-10H,1-2H3/b4-3+,7-5+,11-6+,12-8+", "name": "2,6-Dimethyldeca-2,4,6,8-tetraenedial", "names": [ "2,6-Dimethyldeca-2,4,6,8-tetraenedial" ] }, { "compound_id": "C21079", "inchi": "InChI=1/C9H10N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-4,6-8,14-15H,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/f/h10H", "name": "5'-Dehydrouridine", "names": [ "5'-Dehydrouridine" ] }, { "compound_id": "C21080", "inchi": "InChI=1/C12H24O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/f/h14H", "name": "7-Hydroxydodecanoate", "names": [ "7-Hydroxydodecanoate" ] }, { "compound_id": "C21081", "inchi": "InChI=1/C28H40N7O19P3S/c1-28(2,22(40)25(41)31-6-5-18(38)30-7-8-58-27(42)15-9-14(36)3-4-16(15)37)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)35-13-34-19-23(29)32-12-33-24(19)35/h3-4,9,12-13,17,20-22,26,36-37,39-40H,5-8,10-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t17-,20-,21-,22+,26-/m1/s1/f/h30-31,43-44,46,48H,29H2", "name": "Gentisyl-CoA", "names": [ "Gentisyl-CoA" ] }, { "compound_id": "C21084", "inchi": "InChI=1/C30H46O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24,31-32H,8-16,20H2,1-5H3/b25-19+", "name": "Demethylphylloquinol", "names": [ "Demethylphylloquinol" ] }, { "compound_id": "C21085", "inchi": "InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,5,7,10H,2,4H2,(H,12,13)/b6-5-/t7-/m0/s1/f/h12H", "name": "3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate", "names": [ "3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate" ] }, { "compound_id": "C21086", "inchi": "InChI=1/C9H10O5/c10-5-2-1-4(7-8(5)14-7)3-6(11)9(12)13/h3,5,7-8,10H,1-2H2,(H,12,13)/b4-3+/t5-,7-,8+/m1/s1/f/h12H", "name": "(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate", "names": [ "(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate" ] }, { "compound_id": "C21087", "inchi": "InChI=1/C9H12O5/c10-5-2-1-4(7-8(5)14-7)3-6(11)9(12)13/h4-5,7-8,10H,1-3H2,(H,12,13)/t4-,5+,7+,8-/m0/s1/f/h12H", "name": "3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate", "names": [ "3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate" ] }, { "compound_id": "C21088", "inchi": "InChI=1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3-,4-/m1/s1/f/h11,13H", "name": "L-Altarate", "names": [ "L-Altarate" ] }, { "compound_id": "C21089", "inchi": "InChI=1/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16-,19-,20-,21+,25-/m1/s1/f/h29-30,41-42,44,46H,28H2", "name": "(R)-2-Hydroxyisocaproyl-CoA", "names": [ "(R)-2-Hydroxyisocaproyl-CoA" ] }, { "compound_id": "C21090", "inchi": "InChI=1/C27H44N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h5-6,13-16,20-22,26,37-38H,7-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b6-5+/t16-,20-,21-,22+,26-/m1/s1/f/h29-30,40-41,43,45H,28H2", "name": "Isocaprenoyl-CoA", "names": [ "Isocaprenoyl-CoA" ] }, { "compound_id": "C21091", "inchi": "InChI=1/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/t2-,4+/m1/s1/f/h10,12H", "name": "(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate", "names": [ "(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate" ] }, { "compound_id": "C21092", "inchi": "InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1/f/h8H", "name": "D-allo-Isoleucine", "names": [ "D-allo-Isoleucine" ] }, { "compound_id": "C21094", "inchi": "InChI=1/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6-/m0/s1/f/h11,14,18-19,21,23H,10H2", "name": "7,8-Dihydromonapterin 3'-triphosphate", "names": [ "7,8-Dihydromonapterin 3'-triphosphate" ] }, { "compound_id": "C21095", "inchi": "InChI=1/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1/f/h10H", "name": "D-Glucaro-1,4-lactone", "names": [ "D-Glucaro-1,4-lactone" ] }, { "compound_id": "C21100", "inchi": "InChI=1/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2", "name": "Caldopentamine", "names": [ "Caldopentamine" ] }, { "compound_id": "C21102", "inchi": "InChI=1/C10H12N4O4/c1-4-6(15)7(16)10(18-4)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H3,(H,11,12,17)/t4-,6-,7-,10-/m1/s1/f/h12H", "name": "5'-Deoxyinosine", "names": [ "5'-Deoxyinosine" ] }, { "compound_id": "C21103", "inchi": "InChI=1/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H", "name": "2,6-Dichloro-p-benzoquinone", "names": [ "2,6-Dichloro-p-benzoquinone" ] }, { "compound_id": "C21104", "inchi": "InChI=1/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H", "name": "2,5-Dichloro-p-benzoquinone", "names": [ "2,5-Dichloro-p-benzoquinone" ] }, { "compound_id": "C21105", "inchi": "InChI=1/C6H3ClO3/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H", "name": "5-Chloro-2-hydroxy-p-benzoquinone", "names": [ "5-Chloro-2-hydroxy-p-benzoquinone" ] }, { "compound_id": "C21106", "inchi": "InChI=1/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23?,24+,25-,26-,27-,28+/m0/s1", "name": "24-epi-Campesterol", "names": [ "24-epi-Campesterol" ] }, { "compound_id": "C21107", "inchi": "InChI=1/C11H15O8P/c12-7-3-1-6(2-4-7)11-10(14)9(13)8(19-11)5-18-20(15,16)17/h1-4,8-14H,5H2,(H2,15,16,17)/t8-,9-,10-,11+/m1/s1/f/h15-16H", "name": "4-(beta-D-Ribofuranosyl)phenol 5'-phosphate", "names": [ "4-(beta-D-Ribofuranosyl)phenol 5'-phosphate" ] }, { "compound_id": "C21109", "inchi": "InChI=1/C10H8Cl2N2/c11-8-3-1-2-6(10(8)13)7-4-14-5-9(7)12/h1-5,14H,13H2", "name": "Aminopyrrolnitrin", "names": [ "Aminopyrrolnitrin" ] }, { "compound_id": "C21110", "inchi": "InChI=1/C10H9ClN2/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-6,13H,12H2", "name": "Monodechloroaminopyrrolnitrin", "names": [ "Monodechloroaminopyrrolnitrin" ] }, { "compound_id": "C21113", "inchi": "InChI=1/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1/f/h17-18H,12H2", "name": "NMNH", "names": [ "NMNH" ] }, { "compound_id": "C21117", "inchi": "InChI=1/C40H63N5O3/c1-23(9-10-26-31(46)32(47)35(48-26)45-22-44-30-33(41)42-21-43-34(30)45)24-13-18-37(4)25(24)14-19-39(6)28(37)11-12-29-38(5)17-8-16-36(2,3)27(38)15-20-40(29,39)7/h21-29,31-32,35,46-47H,8-20H2,1-7H3,(H2,41,42,43)/t23-,24-,25+,26-,27+,28-,29-,31-,32-,35-,37+,38+,39-,40-/m1/s1/f/h41H2", "name": "Adenosylhopane", "names": [ "Adenosylhopane" ] }, { "compound_id": "C21118", "inchi": "InChI=1/C35H60O4/c1-21(9-10-24-28(36)29(37)30(38)39-24)22-13-18-32(4)23(22)14-19-34(6)26(32)11-12-27-33(5)17-8-16-31(2,3)25(33)15-20-35(27,34)7/h21-30,36-38H,8-20H2,1-7H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30?,32+,33+,34-,35-/m1/s1", "name": "Ribosylhopane", "names": [ "Ribosylhopane" ] }, { "compound_id": "C21119", "inchi": "InChI=1/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22-,23-,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1", "name": "Bacteriohopanetetrol", "names": [ "Bacteriohopanetetrol" ] }, { "compound_id": "C21120", "inchi": "InChI=1/C43H75NO9/c1-24(10-11-28(47)35(49)29(48)23-52-38-34(44-25(2)46)37(51)36(50)30(22-45)53-38)26-14-19-40(5)27(26)15-20-42(7)32(40)12-13-33-41(6)18-9-17-39(3,4)31(41)16-21-43(33,42)8/h24,26-38,45,47-51H,9-23H2,1-8H3,(H,44,46)/t24-,26-,27+,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,38-,40+,41+,42-,43-/m1/s1/f/h44H", "name": "Bacteriohopanetetrol-acetylglucosamine", "names": [ "Bacteriohopanetetrol-acetylglucosamine" ] }, { "compound_id": "C21121", "inchi": "InChI=1/C41H73NO8/c1-23(9-10-26(44)33(46)27(45)22-49-36-32(42)35(48)34(47)28(21-43)50-36)24-13-18-38(4)25(24)14-19-40(6)30(38)11-12-31-39(5)17-8-16-37(2,3)29(39)15-20-41(31,40)7/h23-36,43-48H,8-22,42H2,1-7H3/t23-,24-,25+,26-,27+,28-,29+,30-,31-,32-,33-,34-,35-,36-,38+,39+,40-,41-/m1/s1", "name": "Bacteriohopanetetrol-glucosamine", "names": [ "Bacteriohopanetetrol-glucosamine" ] }, { "compound_id": "C21122", "inchi": "InChI=1/C41H73NO8/c1-23(9-10-26(44)32(46)27(45)21-50-35-31(42)33(47)34(48)41(35,49)22-43)24-13-18-37(4)25(24)14-19-39(6)29(37)11-12-30-38(5)17-8-16-36(2,3)28(38)15-20-40(30,39)7/h23-35,43-49H,8-22,42H2,1-7H3/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34+,35+,37+,38+,39-,40-,41-/m1/s1", "name": "Bacteriohopanetetrol cyclitol ether", "names": [ "Bacteriohopanetetrol cyclitol ether" ] }, { "compound_id": "C21123", "inchi": "InChI=1/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22-,23-,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1", "name": "Aminobacteriohopanetriol", "names": [ "Aminobacteriohopanetriol" ] }, { "compound_id": "C21124", "inchi": "InChI=1/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15)/f/h14H", "name": "IPA imine", "names": [ "IPA imine" ] }, { "compound_id": "C80001", "inchi": "InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/p+1/t6-/m0/s1", "name": "1-Methyl-L-histidine", "names": [ "1-Methyl-L-histidine" ] }, { "compound_id": "C80002", "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H", "name": "Monochlorobenzene", "names": [ "Monochlorobenzene" ] }, { "compound_id": "C80003", "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H", "name": "1,2-Dichlorobenzene", "names": [ "1,2-Dichlorobenzene" ] }, { "compound_id": "C80004", "inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H", "name": "1,3-Dichlorobenzene", "names": [ "1,3-Dichlorobenzene" ] }, { "compound_id": "C80005", "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H", "name": "1,4-Dichlorobenzene", "names": [ "1,4-Dichlorobenzene" ] }, { "compound_id": "C80006", "inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H", "name": "1,2,3-Trichlorobenzene", "names": [ "1,2,3-Trichlorobenzene" ] }, { "compound_id": "C80007", "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H", "name": "1,2,4-Trichlorobenzene", "names": [ "1,2,4-Trichlorobenzene" ] }, { "compound_id": "C80008", "inchi": "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H", "name": "1,3,5-Trichlorobenzene", "names": [ "1,3,5-Trichlorobenzene" ] }, { "compound_id": "C80009", "inchi": "InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H", "name": "1,2,3,4-Tetrachlorobenzene", "names": [ "1,2,3,4-Tetrachlorobenzene" ] }, { "compound_id": "C80010", "inchi": "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H", "name": "1,2,3,5-Tetrachlorobenzene", "names": [ "1,2,3,5-Tetrachlorobenzene" ] }, { "compound_id": "C80011", "inchi": "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H", "name": "1,2,4,5-Tetrachlorobenzene", "names": [ "1,2,4,5-Tetrachlorobenzene" ] }, { "compound_id": "C80012", "inchi": "InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H", "name": "Pentachlorobenzene", "names": [ "Pentachlorobenzene" ] }, { "compound_id": "C80013", "inchi": "InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9", "name": "Hexachlorobenzene", "names": [ "Hexachlorobenzene" ] }, { "compound_id": "C80014", "inchi": "InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)", "name": "3-Chlorobenzoate", "names": [ "3-Chlorobenzoate" ] }, { "compound_id": "C80015", "inchi": "InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)", "name": "2,3-Dichlorobenzoate", "names": [ "2,3-Dichlorobenzoate" ] }, { "compound_id": "C80016", "inchi": "InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)", "name": "2,5-Dichlorobenzoate", "names": [ "2,5-Dichlorobenzoate" ] }, { "compound_id": "C80017", "inchi": "InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)", "name": "2,6-Dichlorobenzoate", "names": [ "2,6-Dichlorobenzoate" ] }, { "compound_id": "C80018", "inchi": "InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)", "name": "3,4-Dichlorobenzoate", "names": [ "3,4-Dichlorobenzoate" ] }, { "compound_id": "C80019", "inchi": "InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)", "name": "3,5-Dichlorobenzoate", "names": [ "3,5-Dichlorobenzoate" ] }, { "compound_id": "C80020", "inchi": "InChI=1S/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)", "name": "2,3,5-Trichlorobenzoate", "names": [ "2,3,5-Trichlorobenzoate" ] }, { "compound_id": "C80021", "inchi": "InChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)", "name": "3,4,5-Trichlorobenzoate", "names": [ "3,4,5-Trichlorobenzoate" ] }, { "compound_id": "C80022", "inchi": "InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)", "name": "2-Bromobenzoate", "names": [ "2-Bromobenzoate" ] }, { "compound_id": "C80023", "inchi": "InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)", "name": "3-Bromobenzoate", "names": [ "3-Bromobenzoate" ] }, { "compound_id": "C80024", "inchi": "InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)", "name": "4-Bromobenzoate", "names": [ "4-Bromobenzoate" ] }, { "compound_id": "C80025", "inchi": "InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)", "name": "2-Iodobenzoate", "names": [ "2-Iodobenzoate" ] }, { "compound_id": "C80026", "inchi": "InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)", "name": "3-Iodobenzoate", "names": [ "3-Iodobenzoate" ] }, { "compound_id": "C80027", "inchi": "InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)", "name": "4-Iodobenzoate", "names": [ "4-Iodobenzoate" ] }, { "compound_id": "C80028", "inchi": "InChI=1S/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)", "name": "2-Amino-5-chlorobenzoate", "names": [ "2-Amino-5-chlorobenzoate" ] }, { "compound_id": "C80029", "inchi": "InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)", "name": "2-Hydroxy-5-chlorobenzoate", "names": [ "2-Hydroxy-5-chlorobenzoate" ] }, { "compound_id": "C80030", "inchi": "InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)", "name": "2-Methyl-5-chlorobenzoate", "names": [ "2-Methyl-5-chlorobenzoate" ] }, { "compound_id": "C80031", "inchi": "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H", "name": "2,3-Dichlorophenol", "names": [ "2,3-Dichlorophenol" ] }, { "compound_id": "C80032", "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H", "name": "3,5-Dichlorophenol", "names": [ "3,5-Dichlorophenol" ] }, { "compound_id": "C80033", "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H", "name": "2,3,4-Trichlorophenol", "names": [ "2,3,4-Trichlorophenol" ] }, { "compound_id": "C80034", "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H", "name": "2,4,5-Trichlorophenol", "names": [ "2,4,5-Trichlorophenol" ] }, { "compound_id": "C80035", "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H", "name": "2,4,6-Trichlorophenol", "names": [ "2,4,6-Trichlorophenol" ] }, { "compound_id": "C80036", "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H", "name": "2,3,5-Trichlorophenol", "names": [ "2,3,5-Trichlorophenol" ] }, { "compound_id": "C80037", "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H", "name": "2,3,6-Trichlorophenol", "names": [ "2,3,6-Trichlorophenol" ] }, { "compound_id": "C80038", "inchi": "InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H", "name": "3,4,5-Trichlorophenol", "names": [ "3,4,5-Trichlorophenol" ] }, { "compound_id": "C80039", "inchi": "InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H", "name": "2,3,4,5-Tetrachlorophenol", "names": [ "2,3,4,5-Tetrachlorophenol" ] }, { "compound_id": "C80040", "inchi": "InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H", "name": "2,3,4,6-Tetrachlorophenol", "names": [ "2,3,4,6-Tetrachlorophenol" ] }, { "compound_id": "C80041", "inchi": "InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H", "name": "2,3,5,6-Tetrachlorophenol", "names": [ "2,3,5,6-Tetrachlorophenol" ] }, { "compound_id": "C80042", "inchi": "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H", "name": "Pentachlorophenol", "names": [ "Pentachlorophenol" ] }, { "compound_id": "C80043", "inchi": "InChI=1S/CH3Cl/c1-2/h1H3", "name": "Chloromethane", "names": [ "Chloromethane" ] }, { "compound_id": "C80045", "inchi": "InChI=1S/C2H6/c1-2/h1-2H3", "name": "Ethane", "names": [ "Ethane" ] }, { "compound_id": "C80046", "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H", "name": "1,1,2,2-Tetrachloroethane", "names": [ "1,1,2,2-Tetrachloroethane" ] }, { "compound_id": "C80047", "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3", "name": "Propane", "names": [ "Propane" ] }, { "compound_id": "C80048", "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3", "name": "1-Chloropropane", "names": [ "1-Chloropropane" ] }, { "compound_id": "C80049", "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2", "name": "1,3-Dichloropropane", "names": [ "1,3-Dichloropropane" ] }, { "compound_id": "C80050", "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3", "name": "Butane", "names": [ "Butane" ] }, { "compound_id": "C80051", "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3", "name": "1-Chlorobutane", "names": [ "1-Chlorobutane" ] }, { "compound_id": "C80052", "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3", "name": "2-Chlorobutane", "names": [ "2-Chlorobutane" ] }, { "compound_id": "C80053", "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3", "name": "Pentane", "names": [ "Pentane" ] }, { "compound_id": "C80054", "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3", "name": "1-Chloropentane", "names": [ "1-Chloropentane" ] }, { "compound_id": "C80055", "inchi": "InChI=1S/C3H10NO/c1-4(2,3)5/h5H,1-3H3/q+1", "name": "CH3NHp", "names": [ "CH3NHp" ] }, { "compound_id": "C80056", "inchi": "InChI=1/C9H19NO2S2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H,11,12)", "name": "S-Aminomethyldihydro-lipoate", "names": [ "S-Aminomethyldihydro-lipoate" ] }, { "compound_id": "C80057", "inchi": "InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/p+1/fC22H29N6O14P2/h34,36H,23H2/q+1", "name": "ap-NAD", "names": [ "ap-NAD" ] }, { "compound_id": "C80058", "inchi": "InChI=1S/C22H30N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2,4-5,8-9,12-13,15-18,21-22,30-33H,3,6-7H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25)/f/h34,36H,23H2", "name": "ap-NADH", "names": [ "ap-NADH" ] }, { "compound_id": "C80059", "inchi": null, "name": "FADenz(ox)", "names": [ "FADenz(ox)" ] }, { "compound_id": "C80060", "inchi": null, "name": "FADenz(red)", "names": [ "FADenz(red)" ] }, { "compound_id": "C80061", "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3", "name": "Isobutanal", "names": [ "Isobutanal" ] }, { "compound_id": "C80062", "inchi": "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3-4,6-9H,1-2H2", "name": "3-Ketoarabinitol", "names": [ "3-Ketoarabinitol" ] }, { "compound_id": "C80063", "inchi": "InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3-4,6-7H,1-2H2,(H2,9,10,11)(H2,12,13,14)", "name": "3-Ketoarabinitol 1,5-bisphosphate", "names": [ "3-Ketoarabinitol 1,5-bisphosphate" ] }, { "compound_id": "C80064", "inchi": "InChI=1S/C6H10O7/c7-1-3(9)4(10)6(13,2-8)5(11)12/h3,7-9,13H,1-2H2,(H,11,12)", "name": "2-Carboxy-3-ketoarabinitol", "names": [ "2-Carboxy-3-ketoarabinitol" ] }, { "compound_id": "C80065", "inchi": "InChI=1S/C6H12O13P2/c7-3(1-18-20(12,13)14)4(8)6(11,5(9)10)2-19-21(15,16)17/h3,7,11H,1-2H2,(H,9,10)(H2,12,13,14)(H2,15,16,17)", "name": "2-Carboxy-3-ketoarabinitol 1,5-bisphosphate", "names": [ "2-Carboxy-3-ketoarabinitol 1,5-bisphosphate" ] }, { "compound_id": "C80066", "inchi": "InChI=1S/C3H7O7P/c4-1-2(5)3(6)10-11(7,8)9/h2,4-5H,1H2,(H2,7,8,9)", "name": "D-Glycerate 1-phosphate", "names": [ "D-Glycerate 1-phosphate" ] }, { "compound_id": "C80067", "inchi": null, "name": "reduced Methyl viologen", "names": [ "reduced Methyl viologen" ] }, { "compound_id": "C80068", "inchi": "InChI=1S/C8H16O9/c9-1-2(10)3(11)4(12)5(13)6(14)7(15)8(16)17/h2-7,9-15H,1H2,(H,16,17)", "name": "n-Octonic acid", "names": [ "n-Octonic acid" ] }, { "compound_id": "C80069", "inchi": "InChI=1S/C9H19NO2S2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H,11,12)", "name": "S-aminomethyldihydro--lipoate", "names": [ "S-aminomethyldihydro--lipoate" ] }, { "compound_id": "C90010", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-13,15,18-19,21-22H,2-5,8,14,16-17H2,1H3,(H,23,24)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1", "name": "(5S,6S)-di-HETE", "names": [ "(5S,6S)-di-HETE" ] }, { "compound_id": "C90029", "inchi": "InChI=1S/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t35-,36+,40+,41+,42-,46+/m0/s1", "name": "(S)-3-hydroxyhexacosanoyl-CoA", "names": [ "(S)-3-hydroxyhexacosanoyl-CoA" ] }, { "compound_id": "C90040", "inchi": "InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1", "name": "1,2-dioleoyl-sn-glycero-3-phosphocholine", "names": [ "1,2-dioleoyl-sn-glycero-3-phosphocholine" ] }, { "compound_id": "C90041", "inchi": "InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-", "name": "1,2-dioleoylglycerol", "names": [ "1,2-dioleoylglycerol" ] }, { "compound_id": "C90073", "inchi": "InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1", "name": "2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone", "names": [ "2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone" ] }, { "compound_id": "C90091", "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h15-16,18H,2-14H2,1H3", "name": "2-hydroxyhexadecanal", "names": [ "2-hydroxyhexadecanal" ] }, { "compound_id": "C90092", "inchi": "InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/p-2", "name": "2-isopropylmalate(2-)", "names": [ "2-isopropylmalate(2-)" ] }, { "compound_id": "C90094", "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3", "name": "2-methylbutan-1-ol", "names": [ "2-methylbutan-1-ol" ] }, { "compound_id": "C90096", "inchi": "InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3", "name": "2-methylbutyl acetate", "names": [ "2-methylbutyl acetate" ] }, { "compound_id": "C90126", "inchi": "InChI=1S/C8H14O5/c1-4(2)5(7(10)11)6(9)8(12)13-3/h4-6,9H,1-3H3,(H,10,11)/p-1", "name": "3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate", "names": [ "3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate" ] }, { "compound_id": "C90131", "inchi": "InChI=1S/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-32,36-38,42,51,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t31?,32-,36-,37-,38+,42-/m1/s1", "name": "3-hydroxydocosanoyl-CoA", "names": [ "3-hydroxydocosanoyl-CoA" ] }, { "compound_id": "C90132", "inchi": "InChI=1S/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-30,34-36,40,49,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t29?,30-,34-,35-,36+,40-/m1/s1", "name": "3-hydroxyicosanoyl-CoA", "names": [ "3-hydroxyicosanoyl-CoA" ] }, { "compound_id": "C90134", "inchi": "InChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t33?,34-,38-,39-,40+,44-/m1/s1", "name": "3-hydroxytetracosanoyl-CoA", "names": [ "3-hydroxytetracosanoyl-CoA" ] }, { "compound_id": "C90138", "inchi": "InChI=1S/C43H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-30,32,36-38,42,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t32-,36-,37-,38+,42-/m1/s1", "name": "3-oxodocosanoyl-CoA", "names": [ "3-oxodocosanoyl-CoA" ] }, { "compound_id": "C90139", "inchi": "InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-34,36,40-42,46,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t36-,40-,41-,42+,46-/m1/s1", "name": "3-oxohexacosanoyl-CoA", "names": [ "3-oxohexacosanoyl-CoA" ] }, { "compound_id": "C90140", "inchi": "InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t30-,34-,35-,36+,40-/m1/s1", "name": "3-oxoicosanoyl-CoA", "names": [ "3-oxoicosanoyl-CoA" ] }, { "compound_id": "C90144", "inchi": "InChI=1S/C45H80N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-32,34,38-40,44,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t34-,38-,39-,40+,44-/m1/s1", "name": "3-oxotetracosanoyl-CoA", "names": [ "3-oxotetracosanoyl-CoA" ] }, { "compound_id": "C90151", "inchi": "InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+/m0/s1", "name": "4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate", "names": [ "4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate" ] }, { "compound_id": "C90162", "inchi": "InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m0/s1", "name": "4-diphospho-1D-myo-inositol pentakisphosphate", "names": [ "4-diphospho-1D-myo-inositol pentakisphosphate" ] }, { "compound_id": "C90181", "inchi": "InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+/m1/s1", "name": "5,6-bis(diphospho)-1D-myo-inositol tetrakisphosphate", "names": [ "5,6-bis(diphospho)-1D-myo-inositol tetrakisphosphate" ] }, { "compound_id": "C90205", "inchi": "InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m1/s1", "name": "6-diphospho-1D-myo-inositol pentakisphosphate", "names": [ "6-diphospho-1D-myo-inositol pentakisphosphate" ] }, { "compound_id": "C90273", "inchi": "InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)/p-1", "name": "cerotate", "names": [ "cerotate" ] }, { "compound_id": "C90316", "inchi": "InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", "name": "dCDP", "names": [ "dCDP" ] }, { "compound_id": "C90323", "inchi": "InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)", "name": "decaprenyl diphosphate", "names": [ "decaprenyl diphosphate" ] }, { "compound_id": "C90325", "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-,19-/m1/s1", "name": "Delta(6)-trans,Delta(8)-cis-leukotriene B4", "names": [ "Delta(6)-trans,Delta(8)-cis-leukotriene B4" ] }, { "compound_id": "C90335", "inchi": "InChI=1S/C110H180O7P2/c1-89(2)45-24-46-90(3)47-25-48-91(4)49-26-50-92(5)51-27-52-93(6)53-28-54-94(7)55-29-56-95(8)57-30-58-96(9)59-31-60-97(10)61-32-62-98(11)63-33-64-99(12)65-34-66-100(13)67-35-68-101(14)69-36-70-102(15)71-37-72-103(16)73-38-74-104(17)75-39-76-105(18)77-40-78-106(19)79-41-80-107(20)81-42-82-108(21)83-43-84-109(22)85-44-86-110(23)87-88-116-119(114,115)117-118(111,112)113/h45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87H,24-44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88H2,1-23H3,(H,114,115)(H2,111,112,113)", "name": "docosaprenyl diphosphate", "names": [ "docosaprenyl diphosphate" ] }, { "compound_id": "C90336", "inchi": "InChI=1S/C60H100O7P2/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-66-69(64,65)67-68(61,62)63/h25,27,29,31,33,35,37,39,41,43,45,47H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3,(H,64,65)(H2,61,62,63)", "name": "dodecaprenyl diphosphate", "names": [ "dodecaprenyl diphosphate" ] }, { "compound_id": "C90347", "inchi": "InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,27,35,37-39,41-43H,4,8-14,17-26,28-34H2,1-3,5-7H3/b16-15-/t37-,38+,39+,41-,42+,43+,45+,46-/m1/s1", "name": "episteryl oleate", "names": [ "episteryl oleate" ] }, { "compound_id": "C90348", "inchi": "InChI=1S/C44H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h13-14,25,33,35-37,39-41H,4,8-12,15-24,26-32H2,1-3,5-7H3/b14-13-/t35-,36+,37+,39-,40+,41+,43+,44-/m1/s1", "name": "episteryl palmitoleate", "names": [ "episteryl palmitoleate" ] }, { "compound_id": "C90350", "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1", "name": "ergosta-5,7,24(28)-trien-3beta-ol", "names": [ "ergosta-5,7,24(28)-trien-3beta-ol" ] }, { "compound_id": "C90352", "inchi": "InChI=1S/C34H54O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h7-10,19-21,23,25-32,35-38H,11-18H2,1-6H3/b8-7+/t20-,21+,23-,25+,26-,27-,28+,29+,30-,31+,32+,33-,34+/m0/s1", "name": "ergosterol 3-beta-D-glucoside", "names": [ "ergosterol 3-beta-D-glucoside" ] }, { "compound_id": "C90354", "inchi": "InChI=1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,24-27,35-37,39,41-43H,8-14,17-23,28-34H2,1-7H3/b16-15-,25-24+/t36-,37+,39-,41+,42-,43-,45-,46+/m0/s1", "name": "ergosteryl oleate", "names": [ "ergosteryl oleate" ] }, { "compound_id": "C90366", "inchi": "InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,35,37-39,41-42H,4,8-14,17-34H2,1-3,5-7H3/b16-15-/t37-,38+,39+,41-,42+,45+,46-/m1/s1", "name": "fecosteryl oleate", "names": [ "fecosteryl oleate" ] }, { "compound_id": "C90388", "inchi": "InChI=1S/C71H122N2O42P2/c1-30(2)13-9-14-31(3)15-10-16-32(4)17-11-18-33(5)19-12-20-34(6)21-22-101-116(96,97)115-117(98,99)114-66-45(73-36(8)81)52(88)60(42(28-79)107-66)109-65-44(72-35(7)80)51(87)61(41(27-78)106-65)110-69-59(95)62(50(86)43(108-69)29-100-67-57(93)53(89)46(82)37(23-74)102-67)111-70-64(56(92)49(85)39(25-76)104-70)113-71-63(55(91)48(84)40(26-77)105-71)112-68-58(94)54(90)47(83)38(24-75)103-68/h13,15,17,19,34,37-71,74-79,82-95H,9-12,14,16,18,20-29H2,1-8H3,(H,72,80)(H,73,81)(H,96,97)(H,98,99)/b31-15+,32-17+,33-19+/t34?,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66-,67+,68-,69+,70-,71-/m1/s1", "name": "glycan G00006", "names": [ "glycan G00006" ] }, { "compound_id": "C90389", "inchi": "InChI=1S/C113H192N2O77P2/c1-37(2)13-9-14-38(3)15-10-16-39(4)17-11-18-40(5)19-12-20-41(6)21-22-165-193(159,160)192-194(161,162)191-101-59(115-43(8)129)71(141)89(53(32-125)175-101)180-100-58(114-42(7)128)70(140)90(52(31-124)174-100)181-110-88(158)96(69(139)57(179-110)36-164-103-85(155)95(184-107-84(154)79(149)92(55(34-127)177-107)183-105-81(151)73(143)61(131)45(24-117)167-105)68(138)56(178-103)35-163-102-83(153)78(148)91(54(33-126)176-102)182-104-80(150)72(142)60(130)44(23-116)166-104)187-112-99(77(147)65(135)48(27-120)172-112)190-113-98(76(146)64(134)49(28-121)173-113)189-109-86(156)93(66(136)50(29-122)170-109)185-108-87(157)94(67(137)51(30-123)169-108)186-111-97(75(145)63(133)47(26-119)171-111)188-106-82(152)74(144)62(132)46(25-118)168-106/h13,15,17,19,41,44-113,116-127,130-158H,9-12,14,16,18,20-36H2,1-8H3,(H,114,128)(H,115,129)(H,159,160)(H,161,162)/b38-15+,39-17+,40-19+/t41?,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72+,73+,74+,75+,76+,77+,78-,79-,80+,81+,82-,83+,84+,85+,86+,87-,88+,89-,90-,91-,92-,93+,94+,95+,96+,97-,98+,99+,100+,101-,102+,103+,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-/m1/s1", "name": "glycan G00008", "names": [ "glycan G00008" ] }, { "compound_id": "C90390", "inchi": "InChI=1S/C77H132N2O47P2/c1-31(2)13-9-14-32(3)15-10-16-33(4)17-11-18-34(5)19-12-20-35(6)21-22-110-127(105,106)126-128(107,108)125-71-47(79-37(8)88)55(96)64(44(29-86)117-71)119-70-46(78-36(7)87)54(95)65(43(28-85)116-70)120-75-63(104)67(53(94)45(118-75)30-109-72-62(103)66(52(93)42(27-84)111-72)121-73-60(101)56(97)48(89)38(23-80)112-73)122-76-69(59(100)51(92)40(25-82)114-76)124-77-68(58(99)50(91)41(26-83)115-77)123-74-61(102)57(98)49(90)39(24-81)113-74/h13,15,17,19,35,38-77,80-86,89-104H,9-12,14,16,18,20-30H2,1-8H3,(H,78,87)(H,79,88)(H,105,106)(H,107,108)/b32-15+,33-17+,34-19+/t35?,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66+,67+,68+,69+,70+,71-,72+,73-,74-,75+,76-,77-/m1/s1", "name": "glycan G10595", "names": [ "glycan G10595" ] }, { "compound_id": "C90391", "inchi": "InChI=1S/C107H182N2O72P2/c1-36(2)13-9-14-37(3)15-10-16-38(4)17-11-18-39(5)19-12-20-40(6)21-22-156-182(150,151)181-183(152,153)180-96-57(109-42(8)122)68(133)85(51(31-118)165-96)170-95-56(108-41(7)121)67(132)86(50(30-117)164-95)171-105-84(149)92(177-106-94(73(138)62(127)46(26-113)162-106)179-107-93(72(137)61(126)47(27-114)163-107)178-104-83(148)90(64(129)49(29-116)161-104)176-103-82(147)89(63(128)48(28-115)160-103)174-101-78(143)71(136)60(125)45(25-112)159-101)66(131)55(169-105)35-155-98-81(146)91(175-102-80(145)75(140)88(53(33-120)167-102)173-100-77(142)70(135)59(124)44(24-111)158-100)65(130)54(168-98)34-154-97-79(144)74(139)87(52(32-119)166-97)172-99-76(141)69(134)58(123)43(23-110)157-99/h13,15,17,19,40,43-107,110-120,123-149H,9-12,14,16,18,20-35H2,1-8H3,(H,108,121)(H,109,122)(H,150,151)(H,152,153)/b37-15+,38-17+,39-19+/t40?,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74-,75-,76+,77+,78-,79+,80+,81+,82-,83+,84+,85-,86-,87-,88-,89+,90+,91+,92+,93+,94+,95+,96-,97+,98+,99-,100-,101-,102-,103-,104-,105+,106-,107-/m1/s1", "name": "glycan G10599", "names": [ "glycan G10599" ] }, { "compound_id": "C90411", "inchi": "InChI=1S/C105H172O7P2/c1-85(2)43-23-44-86(3)45-24-46-87(4)47-25-48-88(5)49-26-50-89(6)51-27-52-90(7)53-28-54-91(8)55-29-56-92(9)57-30-58-93(10)59-31-60-94(11)61-32-62-95(12)63-33-64-96(13)65-34-66-97(14)67-35-68-98(15)69-36-70-99(16)71-37-72-100(17)73-38-74-101(18)75-39-76-102(19)77-40-78-103(20)79-41-80-104(21)81-42-82-105(22)83-84-111-114(109,110)112-113(106,107)108/h43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83H,23-42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84H2,1-22H3,(H,109,110)(H2,106,107,108)", "name": "henicosaprenyl diphosphate", "names": [ "henicosaprenyl diphosphate" ] }, { "compound_id": "C90412", "inchi": "InChI=1S/C85H140O7P2/c1-69(2)35-19-36-70(3)37-20-38-71(4)39-21-40-72(5)41-22-42-73(6)43-23-44-74(7)45-24-46-75(8)47-25-48-76(9)49-26-50-77(10)51-27-52-78(11)53-28-54-79(12)55-29-56-80(13)57-30-58-81(14)59-31-60-82(15)61-32-62-83(16)63-33-64-84(17)65-34-66-85(18)67-68-91-94(89,90)92-93(86,87)88/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67H,19-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68H2,1-18H3,(H,89,90)(H2,86,87,88)", "name": "heptadecaprenyl diphosphate", "names": [ "heptadecaprenyl diphosphate" ] }, { "compound_id": "C90413", "inchi": "InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)", "name": "heptaprenyl diphosphate", "names": [ "heptaprenyl diphosphate" ] }, { "compound_id": "C90414", "inchi": "InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/t36-,40-,41-,42+,46-/m1/s1", "name": "hexacosanoyl-CoA", "names": [ "hexacosanoyl-CoA" ] }, { "compound_id": "C90418", "inchi": "InChI=1S/C80H132O7P2/c1-65(2)33-18-34-66(3)35-19-36-67(4)37-20-38-68(5)39-21-40-69(6)41-22-42-70(7)43-23-44-71(8)45-24-46-72(9)47-25-48-73(10)49-26-50-74(11)51-27-52-75(12)53-28-54-76(13)55-29-56-77(14)57-30-58-78(15)59-31-60-79(16)61-32-62-80(17)63-64-86-89(84,85)87-88(81,82)83/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64H2,1-17H3,(H,84,85)(H2,81,82,83)", "name": "hexadecaprenyl diphosphate", "names": [ "hexadecaprenyl diphosphate" ] }, { "compound_id": "C90419", "inchi": "InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)", "name": "hexaprenyl diphosphate", "names": [ "hexaprenyl diphosphate" ] }, { "compound_id": "C90427", "inchi": "InChI=1S/C100H164O7P2/c1-81(2)41-22-42-82(3)43-23-44-83(4)45-24-46-84(5)47-25-48-85(6)49-26-50-86(7)51-27-52-87(8)53-28-54-88(9)55-29-56-89(10)57-30-58-90(11)59-31-60-91(12)61-32-62-92(13)63-33-64-93(14)65-34-66-94(15)67-35-68-95(16)69-36-70-96(17)71-37-72-97(18)73-38-74-98(19)75-39-76-99(20)77-40-78-100(21)79-80-106-109(104,105)107-108(101,102)103/h41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79H,22-40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80H2,1-21H3,(H,104,105)(H2,101,102,103)", "name": "icosaprenyl diphosphate", "names": [ "icosaprenyl diphosphate" ] }, { "compound_id": "C90437", "inchi": "InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1", "name": "inositol-P-ceramide B", "names": [ "inositol-P-ceramide B" ] }, { "compound_id": "C90438", "inchi": "InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1", "name": "inositol-P-ceramide C", "names": [ "inositol-P-ceramide C" ] }, { "compound_id": "C90439", "inchi": "InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1", "name": "inositol-P-ceramide D", "names": [ "inositol-P-ceramide D" ] }, { "compound_id": "C90444", "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3", "name": "isobutyl acetate", "names": [ "isobutyl acetate" ] }, { "compound_id": "C90445", "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3", "name": "isobutyraldehyde", "names": [ "isobutyraldehyde" ] }, { "compound_id": "C90497", "inchi": "InChI=1S/C48H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-44(49)50-43-33-34-46(7)40-32-36-47(8)39(38(4)27-25-26-37(2)3)31-35-48(47,9)41(40)29-30-42(46)45(43,5)6/h17-18,26,38-39,42-43H,10-16,19-25,27-36H2,1-9H3/b18-17-/t38-,39-,42+,43+,46-,47-,48+/m1/s1", "name": "lanosteryl oleate", "names": [ "lanosteryl oleate" ] }, { "compound_id": "C90498", "inchi": "InChI=1S/C46H78O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-26-42(47)48-41-31-32-44(7)38-30-34-45(8)37(36(4)25-23-24-35(2)3)29-33-46(45,9)39(38)27-28-40(44)43(41,5)6/h15-16,24,36-37,40-41H,10-14,17-23,25-34H2,1-9H3/b16-15-/t36-,37-,40+,41+,44-,45-,46+/m1/s1", "name": "lanosteryl palmitoleate", "names": [ "lanosteryl palmitoleate" ] }, { "compound_id": "C90534", "inchi": "InChI=1S/C20H20N2O8/c23-9-21-15(19(27)28)7-11-1-3-17(25)13(5-11)14-6-12(2-4-18(14)26)8-16(20(29)30)22-10-24/h1-6,9-10,15-16,25-26H,7-8H2,(H,21,23)(H,22,24)(H,27,28)(H,29,30)", "name": "N,N'-diformyldityrosine", "names": [ "N,N'-diformyldityrosine" ] }, { "compound_id": "C90535", "inchi": "InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40?,41-/m0/s1", "name": "N-(24-hydroxytetracosanyl)phytosphingosine", "names": [ "N-(24-hydroxytetracosanyl)phytosphingosine" ] }, { "compound_id": "C90536", "inchi": "InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47)/t39-,40+,41?/m0/s1", "name": "N-(24-hydroxytetracosanyl)sphinganine", "names": [ "N-(24-hydroxytetracosanyl)sphinganine" ] }, { "compound_id": "C90537", "inchi": "InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41+,42?,43-/m0/s1", "name": "N-(26-hydroxyhexacosanyl)phytosphingosine", "names": [ "N-(26-hydroxyhexacosanyl)phytosphingosine" ] }, { "compound_id": "C90538", "inchi": "InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(48)44(49)45-41(40-46)42(47)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h41-43,46-48H,3-40H2,1-2H3,(H,45,49)/t41-,42+,43?/m0/s1", "name": "N-(26-hydroxyhexacosanyl)sphinganine", "names": [ "N-(26-hydroxyhexacosanyl)sphinganine" ] }, { "compound_id": "C90548", "inchi": "InChI=1S/C10H11NO4/c12-6-11-9(10(14)15)5-7-1-3-8(13)4-2-7/h1-4,6,9,13H,5H2,(H,11,12)(H,14,15)/t9-/m0/s1", "name": "N-formyl-L-tyrosine", "names": [ "N-formyl-L-tyrosine" ] }, { "compound_id": "C90549", "inchi": "InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1", "name": "N-hexacosanylphytosphingosine", "names": [ "N-hexacosanylphytosphingosine" ] }, { "compound_id": "C90550", "inchi": "InChI=1S/C44H89NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h42-43,46-47H,3-41H2,1-2H3,(H,45,48)/t42-,43+/m0/s1", "name": "N-hexacosanylsphinganine", "names": [ "N-hexacosanylsphinganine" ] }, { "compound_id": "C90552", "inchi": "InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(46)43-39(38-44)42(47)40(45)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46)/t39-,40+,42-/m0/s1", "name": "N-tetracosanylphytosphingosine", "names": [ "N-tetracosanylphytosphingosine" ] }, { "compound_id": "C90553", "inchi": "InChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1", "name": "N-tetracosanylsphinganine", "names": [ "N-tetracosanylsphinganine" ] }, { "compound_id": "C90563", "inchi": "InChI=1S/C95H156O7P2/c1-77(2)39-21-40-78(3)41-22-42-79(4)43-23-44-80(5)45-24-46-81(6)47-25-48-82(7)49-26-50-83(8)51-27-52-84(9)53-28-54-85(10)55-29-56-86(11)57-30-58-87(12)59-31-60-88(13)61-32-62-89(14)63-33-64-90(15)65-34-66-91(16)67-35-68-92(17)69-36-70-93(18)71-37-72-94(19)73-38-74-95(20)75-76-101-104(99,100)102-103(96,97)98/h39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75H,21-38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76H2,1-20H3,(H,99,100)(H2,96,97,98)", "name": "nonadecaprenyl diphosphate", "names": [ "nonadecaprenyl diphosphate" ] }, { "compound_id": "C90565", "inchi": "InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)", "name": "nonaprenyl diphosphate", "names": [ "nonaprenyl diphosphate" ] }, { "compound_id": "C90575", "inchi": "InChI=1S/C90H148O7P2/c1-73(2)37-20-38-74(3)39-21-40-75(4)41-22-42-76(5)43-23-44-77(6)45-24-46-78(7)47-25-48-79(8)49-26-50-80(9)51-27-52-81(10)53-28-54-82(11)55-29-56-83(12)57-30-58-84(13)59-31-60-85(14)61-32-62-86(15)63-33-64-87(16)65-34-66-88(17)67-35-68-89(18)69-36-70-90(19)71-72-96-99(94,95)97-98(91,92)93/h37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71H,20-36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72H2,1-19H3,(H,94,95)(H2,91,92,93)", "name": "octadecaprenyl diphosphate", "names": [ "octadecaprenyl diphosphate" ] }, { "compound_id": "C90579", "inchi": "InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)", "name": "octaprenyl diphosphate", "names": [ "octaprenyl diphosphate" ] }, { "compound_id": "C90590", "inchi": "InChI=1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(46-18)1-44-51(36,37)48-53(40,41)50-54(42,43)49-52(38,39)45-2-7-11(32)13(34)19(47-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1", "name": "P1-(5'-adenosyl),P4-(5'-guanosyl) tetraphosphate", "names": [ "P1-(5'-adenosyl),P4-(5'-guanosyl) tetraphosphate" ] }, { "compound_id": "C90598", "inchi": "InChI=1S/C75H124O7P2/c1-61(2)31-17-32-62(3)33-18-34-63(4)35-19-36-64(5)37-20-38-65(6)39-21-40-66(7)41-22-42-67(8)43-23-44-68(9)45-24-46-69(10)47-25-48-70(11)49-26-50-71(12)51-27-52-72(13)53-28-54-73(14)55-29-56-74(15)57-30-58-75(16)59-60-81-84(79,80)82-83(76,77)78/h31,33,35,37,39,41,43,45,47,49,51,53,55,57,59H,17-30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60H2,1-16H3,(H,79,80)(H2,76,77,78)", "name": "pentadecaprenyl diphosphate", "names": [ "pentadecaprenyl diphosphate" ] }, { "compound_id": "C90599", "inchi": "InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)", "name": "pentaprenyl diphosphate", "names": [ "pentaprenyl diphosphate" ] }, { "compound_id": "C90616", "inchi": "InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17+,18-/m0/s1", "name": "phytosphingosine 1-phosphate", "names": [ "phytosphingosine 1-phosphate" ] }, { "compound_id": "C90640", "inchi": "InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)", "name": "S(8)-aminomethyldihydrolipoamide", "names": [ "S(8)-aminomethyldihydrolipoamide" ] }, { "compound_id": "C90678", "inchi": "InChI=1S/C70H116O7P2/c1-57(2)29-16-30-58(3)31-17-32-59(4)33-18-34-60(5)35-19-36-61(6)37-20-38-62(7)39-21-40-63(8)41-22-42-64(9)43-23-44-65(10)45-24-46-66(11)47-25-48-67(12)49-26-50-68(13)51-27-52-69(14)53-28-54-70(15)55-56-76-79(74,75)77-78(71,72)73/h29,31,33,35,37,39,41,43,45,47,49,51,53,55H,16-28,30,32,34,36,38,40,42,44,46,48,50,52,54,56H2,1-15H3,(H,74,75)(H2,71,72,73)", "name": "tetradecaprenyl diphosphate", "names": [ "tetradecaprenyl diphosphate" ] }, { "compound_id": "C90694", "inchi": "InChI=1S/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h26-27,34-36,40-42,46,57-58H,4-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/b27-26+/t36-,40-,41-,42+,46-/m1/s1", "name": "trans-hexacos-2-enoyl-CoA", "names": [ "trans-hexacos-2-enoyl-CoA" ] }, { "compound_id": "C90697", "inchi": "InChI=1S/C65H108O7P2/c1-53(2)27-15-28-54(3)29-16-30-55(4)31-17-32-56(5)33-18-34-57(6)35-19-36-58(7)37-20-38-59(8)39-21-40-60(9)41-22-42-61(10)43-23-44-62(11)45-24-46-63(12)47-25-48-64(13)49-26-50-65(14)51-52-71-74(69,70)72-73(66,67)68/h27,29,31,33,35,37,39,41,43,45,47,49,51H,15-26,28,30,32,34,36,38,40,42,44,46,48,50,52H2,1-14H3,(H,69,70)(H2,66,67,68)", "name": "tridecaprenyl diphosphate", "names": [ "tridecaprenyl diphosphate" ] }, { "compound_id": "C90703", "inchi": "InChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+", "name": "ubiquinol-6", "names": [ "ubiquinol-6" ] }, { "compound_id": "C90724", "inchi": "InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/t19-,21?,22-,23+,24+,26+,27-,28+/m1/s1", "name": "zymosterol intermediate 1a", "names": [ "zymosterol intermediate 1a" ] }, { "compound_id": "C90725", "inchi": "InChI=1S/C28H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,17,19,21-24,26,30H,6,8-16H2,1-5H3/t19-,21?,22-,23+,24+,26+,27-,28+/m1/s1", "name": "zymosterol intermediate 1b", "names": [ "zymosterol intermediate 1b" ] }, { "compound_id": "C90726", "inchi": "InChI=1S/C29H46O2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-27(20(4)30)26(31)15-17-29(25,6)24(21)14-16-28(22,23)5/h8,19,22-23,25-27,31H,7,9-17H2,1-6H3/t19-,22-,23+,25+,26+,27?,28-,29-/m1/s1", "name": "zymosterol intermediate 1c", "names": [ "zymosterol intermediate 1c" ] }, { "compound_id": "C90727", "inchi": "InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2,1-5H3/t19-,20+,23-,24+,26+,27-/m1/s1", "name": "zymosterol intermediate 2", "names": [ "zymosterol intermediate 2" ] }, { "compound_id": "C90728", "inchi": "InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,23,36-38,40-41H,7-13,16-22,24-34H2,1-6H3/b15-14-/t36-,37+,38+,40-,41+,44+,45-/m1/s1", "name": "zymosteryl oleate", "names": [ "zymosteryl oleate" ] } ]