 | | AO3 | | 表記: | ALLOSAMIDIN | | 組成式: | C25 H42 N4 O14 | | SMILES: | O=C(NC4C(O)C(O)C(OC4OC3C(OC(OC1C(O)C2N=C(OC2C1CO)N(C)C)C(NC(=O)C)C3O)CO)CO)C | | 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 | | 別名: | (3AR,4R,5R,6S,6AS)-2-(DIMETHYLAMINO)-3A,5,6,6A-TETRAHYDRO-4-HYDROXY-6-(HYDROXYMETHYL)-4H-CYCLOPENTOXAZOL-5-YL-2-(ACETYL
AMINO)-4-O-[2-(ACETYLAMINO)-2-DEOXY-BETA-D-ALLOPYRANOSYL]-2-DEOXY-BETA-D-ALLOPYRANOSIDE | | 定義日: | 2004-08-18 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3aR,4R,5R,6S,6aS)-2-(dimethylamino)-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-allopyranosyl]-2-deoxy-beta-D-allopyranoside |
|
 | | O31 | | 表記: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop
ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,
3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide | | 組成式: | C38 H46 F4 N6 O9 S | | SMILES: | C7(C(C(NS(C1(C)CC1)(=O)=O)=O)(NC(C3CC4Oc6c(C(C=CCOC2C(CCC2)OC(=O)NC(C(N3C4)=O)C(C)(C)C)(F)F)nc5ccccc5n6)=O)C7)C(F)F | | InChi: | InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1 | | 別名: | glecaprevir | | 定義日: | 2019-06-05 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-06-10 | | 識別子（ID）: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide |
|
 | | O34 | | 表記: | yersiniabactin | | 組成式: | C21 H27 N3 O4 S3 | | SMILES: | N1=C(SCC1C2NC(CS2)C(O)C(C3=NC(CS3)(C(O)=O)C)(C)C)c4c(O)cccc4 | | 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 | | 別名: | (4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-met
hylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid | | 定義日: | 2019-06-05 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-03-04 | | 識別子（ID）: | (4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
|
 | | O48 | | 表記: | decyl sulfamate | | 組成式: | C10 H23 N O3 S | | SMILES: | O=S(=O)(OCCCCCCCCCC)N | | InChi: | InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13) | | 別名: | n-decyl sulfamate | | 定義日: | 2009-07-20 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | decyl sulfamate |
|
 | | APH | | 表記: | P-AMIDINOPHENYL-3-ALANINE | | 組成式: | C10 H13 N3 O2 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)C(=[N@H])N | | InChi: | InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m1/s1 | | 別名: | D-BETA(4-AMIDINOPHENYL)-ALANINE | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-carbamimidoyl-D-phenylalanine |
|
 | | EB1 | | 表記: | SEOCALCITOL | | 組成式: | C30 H46 O3 | | SMILES: | OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(C=CC=CC(O)(CC)CC)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1 | | 別名: | 5-{2-[1-(6-ETHYL-6-HYDROXY-1-METHYL-OCTA-2,4-DIENYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLO
HEXANE-1,3-DIOL | | 定義日: | 2004-01-14 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2E,4E)-6-ethyl-6-hydroxy-1-methylocta-2,4-dien-1-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name) |
|
 | | O59 | | 表記: | octane-1,8-diyl disulfamate | | 組成式: | C8 H20 N2 O6 S2 | | SMILES: | O=S(=O)(OCCCCCCCCOS(=O)(=O)N)N | | InChi: | InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14) | | 別名: | 1,8-Octanediol disulfamate | | 定義日: | 2009-07-20 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | octane-1,8-diyl disulfamate |
|
 | | ECE | | 表記: | Caprolactone | | 組成式: | C6 H10 O2 | | SMILES: | O=C1OCCCCC1 | | InChi: | InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2 | | 別名: | Oxepan-2-one | | 定義日: | 2014-10-06 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-10-15 | | 識別子（ID）: | oxepan-2-one |
|
 | | O6P | | 表記: | Doripenem | | 組成式: | C15 H24 N4 O6 S2 | | SMILES: | C2(C(SC1CC(CNS(N)(=O)=O)NC1)=C(C(O)=O)N3C2C(C3=O)C(C)O)C | | InChi: | InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 | | 別名: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-aza
bicyclo[3.2.0]hept-2-ene-2-carboxylic acid | | 定義日: | 2019-06-12 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-08-07 | | 識別子（ID）: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
|
 | | ECN | | 表記: | 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE | | 組成式: | C18 H15 Cl3 N2 O | | SMILES: | Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3 | | 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/t18-/m1/s1 | | 別名: | S-Econazole | | 定義日: | 2007-03-12 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1-[(2S)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole |
|
 | | O7B | | 表記: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one | | 組成式: | C19 H24 N2 O | | SMILES: | O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5 | | InChi: | InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1 | | 別名: | Palonosetron | | 定義日: | 2020-02-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-03-04 | | 識別子（ID）: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one |
|
 | | EDC | | 表記: | N3,N4-ETHENO-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE | | 組成式: | C11 H14 N3 O7 P | | SMILES: | O=P(O)(O)OCC3OC(N2C(=O)n1c(ncc1)C=C2)CC3O | | InChi: | InChI=1S/C11H14N3O7P/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9-12-2-4-13(9)11(14)16/h1-4,7-8,10,15H,5-6H2,(H2,17,18,19)/t7-,8+,10+/m0/s1 | | 別名: | 6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one |
|
 | | O7Z | | 表記: | 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid | | 組成式: | C17 H18 Cl2 O4 | | SMILES: | CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3 | | 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) | | 別名: | indanyloxyacetic acid-94 | | 定義日: | 2020-02-19 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-03-11 | | 識別子（ID）: | 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid |
|
 | | EDS | | 表記: | (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y
l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide | | 組成式: | C25 H48 N6 O10 | | SMILES: | C1(C(NC(=O)C(CCN)O)CC(C(C1O)OC2C(CC=C(O2)CNCCO)N)N)OC3C(C(NC)C(O)(CO3)C)O | | InChi: | InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1 | | 別名: | plazomicin | | 定義日: | 2018-01-02 | | 最終更新日: | 2020-06-17 | | 公開日: | 2018-01-31 | | 識別子（ID）: | (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide |
|
 | | O8M | | 表記: | 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide | | 組成式: | C14 H21 N7 O4 | | SMILES: | O=C(N)CN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O | | InChi: | InChI=1S/C14H21N7O4/c1-6-19-9-12(16)17-5-18-13(9)21(6)14-11(24)10(23)7(25-14)3-20(2)4-8(15)22/h5,7,10-11,14,23-24H,3-4H2,1-2H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1 | | 別名: | 5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | | 定義日: | 2008-07-31 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide |
|
 | | EF1 | | 表記: | (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid | | 組成式: | C21 H35 N2 O5 P | | SMILES: | O=C(O)C(CCCCCN)CP(=O)(O)C(NC(=O)CCc1ccccc1)C(C)C | | InChi: | InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1 | | 別名: | EF6265 | | 定義日: | 2013-06-13 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-10-02 | | 識別子（ID）: | (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid |
|
 | | EF6 | | 表記: | N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide | | 組成式: | C14 H12 Cl N3 O4 S2 | | SMILES: | N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl | | InChi: | InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20) | | 別名: | Indisulam | | 定義日: | 2019-08-05 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-11-13 | | 識別子（ID）: | N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide |
|
 | | EFG | | 表記: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one | | 組成式: | C12 H13 F N5 O7 P | | SMILES: | O=P(O)(O)OCC4OC(n1cnc3c1n2ccnc2NC3=O)C(F)C4O | | InChi: | InChI=1S/C12H13FN5O7P/c13-6-8(19)5(3-24-26(21,22)23)25-11(6)18-4-15-7-9(20)16-12-14-1-2-17(12)10(7)18/h1-2,4-6,8,11,19H,3H2,(H,14,16,20)(H2,21,22,23)/t5-,6+,8-,11-/m1/s1 | | 別名: | 2'-F-N2,3-etheno-2'-deoxyarabinoguanosine | | 定義日: | 2012-01-04 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one |
|
 | | OA7 | | 表記: | 6-hydroxypyridine-3-carboxylic acid | | 組成式: | C6 H5 N O3 | | SMILES: | c1cc(O)ncc1C(O)=O | | InChi: | InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) | | 別名: | 6-hydroxynicotinic acid | | 定義日: | 2019-06-19 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-11-06 | | 識別子（ID）: | 6-hydroxypyridine-3-carboxylic acid |
|
 | | EGC | | 表記: | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX
Y}-ETHOXY)-ETHANOL | | 組成式: | C32 H58 O10 | | SMILES: | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C32H58O10/c1-31(2,3)28-32(4,5)29-6-8-30(9-7-29)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33/h6-9,33H,10-28H2,1-5H3 | | 別名: | TRITON X-100 | | 定義日: | 2001-08-02 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 26-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol |
|
 | | OAQ | | 表記: | {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | 組成式: | C14 H21 N3 O3 | | SMILES: | [O-][N+](=O)c1c(cc2c(c1)NC(CC2)CNC(C)C)CO | | 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/t12-/m0/s1 | | 別名: | Oxamniquine | | 定義日: | 2013-09-24 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-12-18 | | 識別子（ID）: | {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol |
|
 | | OCR | | 表記: | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid | | 組成式: | C20 H30 O3 | | SMILES: | O=C(C=CC=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC | | 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+ | | 別名: | 15-oxo-eicosatetraenoic acid | | 定義日: | 2008-03-17 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid |
|
 | | OCX | | 表記: | (5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid | | 組成式: | C20 H30 O3 | | SMILES: | O=C(C=CC=CC/C=C/CCCCC)C/C=C/CCCC(=O)O | | InChi: | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6+,10-9+,14-11+,16-13? | | 別名: | 8-oxo-eicosatetraenoic acid | | 定義日: | 2008-03-17 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid |
|
 | | ODK | | 表記: | 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid | | 組成式: | C9 H7 N3 O2 | | SMILES: | O=C(O)c1cc(nn1)c2ncccc2 | | InChi: | InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14) | | 別名: | 5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid | | 定義日: | 2010-08-12 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid |
|
 | | ELB | | 表記: | 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide | | 組成式: | C19 H20 I N5 O2 | | SMILES: | Nc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12 | | InChi: | InChI=1S/C19H20IN5O2/c20-12-4-6-13(7-5-12)22-18(26)24-10-8-14(9-11-24)25-16-3-1-2-15(21)17(16)23-19(25)27/h1-7,14H,8-11,21H2,(H,22,26)(H,23,27) | | 別名: | TH5675 | | 定義日: | 2018-03-26 | | 最終更新日: | 2020-06-17 | | 公開日: | 2018-11-28 | | 識別子（ID）: | 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide |
|
