 | | QUN | | 表記: | QUINACRINE | | 組成式: | C23 H30 Cl N3 O | | SMILES: | Clc2ccc1c(c3c(nc1c2)ccc(OC)c3)NC(C)CCCN(CC)CC | | 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)/t16-/m1/s1 | | 別名: | 6-CHLORO-9-[[4-(DIETHYLAMINO)-1-METHYLBUTYL]AMINO]-2-METHOXYACRIDINE | | 定義日: | 2001-08-17 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (4R)-N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine |
|
 | | Y3A | | 表記: | N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide | | 組成式: | C22 H26 Cl N3 O5 | | SMILES: | ClCC(O)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C22H26ClN3O5/c23-12-19(27)18(11-16-7-3-1-4-8-16)26-21(29)14-24-20(28)13-25-22(30)31-15-17-9-5-2-6-10-17/h1-10,18-19,27H,11-15H2,(H,24,28)(H,25,30)(H,26,29)/t18-,19-/m0/s1 | | 別名: | Z-Gly-Gly-Phe-Chloromethyl ketone (bound form) | | 定義日: | 2013-01-28 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-05-08 | | 識別子（ID）: | N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide |
|
 | | TP7 | | 表記: | Coenzyme B | | 組成式: | C11 H22 N O7 P S | | SMILES: | C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCS)C(O)=O | | InChi: | InChI=1S/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 | | 別名: | 7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2S,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid |
|
 | | Z | | 表記: | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE | | 組成式: | C9 H13 N2 O7 P | | SMILES: | O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1 | | 別名: | 2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE | | 定義日: | 2002-09-09 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one |
|
 | | RNH | | 表記: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide | | 組成式: | C16 H32 N2 O4 | | SMILES: | O=C(NCCC(=O)NCCCCCCC)C(O)C(C)(C)CO | | InChi: | InChI=1S/C16H32N2O4/c1-4-5-6-7-8-10-17-13(20)9-11-18-15(22)14(21)16(2,3)12-19/h14,19,21H,4-12H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1 | | 別名: | N-heptylpantothenamide | | 定義日: | 2011-07-05 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide |
|
 | | TAP | | 表記: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 組成式: | C21 H28 N7 O16 P3 S | | SMILES: | NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | 別名: | TATP | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate |
|
 | | SH0 | | 表記: | 3,3',3'',3'''-[(1R,2S,3S,4S,7S,8S,11S,12S,13S,16S,19S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate | | 組成式: | C42 H52 N4 O16 | | SMILES: | O=C(O)CCC1=C(C2=NC1CC5N=C(C=C4NC(=CC3NC(=C2)C(C)(C3CCC(=O)O)CC(=O)O)C(CC(=O)O)(C)C4CCC(=O)O)C(CC(=O)O)C5CCC(=O)O)CC(=O)O | | InChi: | InChI=1S/C42H52N4O16/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/h14-16,19,21,23-26,30,45-46H,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-,31-15-,32-16-/t19-,21-,23+,24+,25+,26-,30+,41-,42-/m0/s1 | | 別名: | Sirohydrochlorin | | 定義日: | 2014-07-09 | | 最終更新日: | 2021-03-01 | | 公開日: | 2014-07-16 | | 識別子（ID）: | 3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,12S,13S,19S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-1,2,3,7,8,11,12,13,19,20-decahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
|
 | | R9T | | 表記: | (1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | | 組成式: | C20 H25 N O4 | | SMILES: | COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23)cc1OC | | InChi: | InChI=1S/C20H25NO4/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/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m1/s1 | | 別名: | R-Tetrahydropapaverine | | 定義日: | 2016-07-11 | | 最終更新日: | 2021-03-01 | | 公開日: | 2016-09-07 | | 識別子（ID）: | (1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
|
 | | TAX | | 表記: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM | | 組成式: | C26 H30 N O | | SMILES: | O(c1ccc(cc1)C(c2ccccc2)=C(c3ccccc3)CC)CC[NH+](C)C | | 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/p+1/b26-25+ | | 別名: | CIS FORM OF TAMOXIFEN | | 定義日: | 2000-08-14 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium |
|
 | | TAY | | 表記: | 2,2-dimethylpropanamide | | 組成式: | C5 H11 N O | | SMILES: | CC(C)(C)C(N)=O | | InChi: | InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7) | | 別名: | Trimethylacetamide | | 定義日: | 2009-10-07 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2,2-dimethylpropanamide |
|
 | | VCA | | 表記: | VACCENIC ACID | | 組成式: | C18 H34 O2 | | SMILES: | O=C(O)CCCCCCCCCC=C/CCCCCC | | 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- | | 別名: | (11E)-OCTADEC-11-ENOIC ACID | | 定義日: | 2005-07-20 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (11Z)-octadec-11-enoic acid |
|
 | | ZOL | | 表記: | ZOLEDRONIC ACID | | 組成式: | C5 H10 N2 O7 P2 | | SMILES: | O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O | | InChi: | InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | | 別名: | (1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID | | 定義日: | 2005-06-06 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | [1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid) |
|
 | | XMP | | 表記: | XANTHOSINE-5'-MONOPHOSPHATE | | 組成式: | C10 H14 N4 O9 P | | SMILES: | O=C3Nc1c([nH+]cn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N3 | | 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)/p+1/t3-,5-,6-,9-/m1/s1 | | 別名: | 5-MONOPHOSPHATE-9-BETA-D-RIBOFURANOSYL XANTHINE | | 定義日: | 1999-07-12 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 5'-xanthylic acid |
|
 | | ZON | | 表記: | 1-(1,2-benzoxazol-3-yl)methanesulfonamide | | 組成式: | C8 H8 N2 O3 S | | SMILES: | O=S(=O)(N)Cc2noc1ccccc12 | | 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) | | 別名: | Zonisamide | | 定義日: | 2010-11-26 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 1-(1,2-benzoxazol-3-yl)methanesulfonamide |
|
 | | VCG | | 表記: | 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside | | 組成式: | C32 H60 O10 | | SMILES: | C(CC(OCCOCC(OCCO)C1C(OCCO)CC(O1)OCCO)=O)CCCCC[C@H]=[C@H]CCCCCCCC | | InChi: | InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-27-29(39-22-19-34)32-28(38-21-18-33)26-31(42-32)41-23-20-35/h9-10,28-29,31-35H,2-8,11-27H2,1H3/b10-9+/t28-,29+,31-,32+/m1/s1 | | 別名: | Polysorbate 80 | | 定義日: | 2020-07-28 | | 最終更新日: | 2021-03-01 | | 公開日: | 2020-08-26 | | 識別子（ID）: | 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside |
|
 | | S2A | | 表記: | (1R,3A'S,10'S,10A'R)-7-METHOXY-2-OXO-10',10A'-DIHYDRO-2H,3A'H-SPIRO[NAPHTHALENE-1,3'-PENTALENO[1,2-B]NAPHTHALEN]-10'-YL 2,6-DIDEOXY-2-(METHYLAMINO)-ALPHA-D-GALACTOPYRANOSIDE | | 組成式: | C33 H33 N O6 | | SMILES: | O=C7C=Cc1ccc(OC)cc1C76C=CC5C(OC2OC(C(O)C(O)C2NC)C)c4cc3ccccc3cc4C56 | | InChi: | InChI=1S/C33H33NO6/c1-17-29(36)30(37)28(34-2)32(39-17)40-31-22-12-13-33(25-16-21(38-3)10-8-18(25)9-11-26(33)35)27(22)23-14-19-6-4-5-7-20(19)15-24(23)31/h4-17,22,27-32,34,36-37H,1-3H3/t17-,22-,27+,28-,29+,30-,31+,32-,33-/m1/s1 | | 別名: | SPIROCYCLIC ALKENE | | 定義日: | 2007-01-10 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (1R,3a'S,10'S,10a'R)-7-methoxy-2-oxo-10',10a'-dihydro-2H,3a'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranoside |
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 | | SHH | | 表記: | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | | 組成式: | C14 H20 N2 O3 | | SMILES: | O=C(Nc1ccccc1)CCCCCCC(=O)NO | | InChi: | InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | | 別名: | SAHA | | 定義日: | 1999-07-30 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-hydroxy-N'-phenyloctanediamide |
|
 | | TPV | | 表記: | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | | 組成式: | C31 H33 F3 N2 O5 S | | SMILES: | FC(F)(F)c1ccc(nc1)S(=O)(=O)Nc2cccc(c2)C(C=3C(=O)OC(CCC)(CC=3O)CCc4ccccc4)CC | | InChi: | InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1 | | 別名: | TIPRANAVIR | | 定義日: | 1999-10-06 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide |
|
 | | SHI | | 表記: | (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID | | 組成式: | C6 H8 N2 O4 | | SMILES: | O=C(O)C(N)Cc1conc1O | | InChi: | InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-12-8-5(3)9/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 | | 別名: | (S)-DES-ME-AMPA | | 定義日: | 2002-09-18 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 3-(3-hydroxyisoxazol-4-yl)-L-alanine |
|
 | | SHL | | 表記: | 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | | 組成式: | C7 H6 O5 | | SMILES: | O=C1C=C(OC(=C1O)C)C(=O)O | | InChi: | InChI=1S/C7H6O5/c1-3-6(9)4(8)2-5(12-3)7(10)11/h2,9H,1H3,(H,10,11) | | 別名: | Comenic acid | | 定義日: | 2012-09-14 | | 最終更新日: | 2021-03-01 | | 公開日: | 2012-09-21 | | 識別子（ID）: | 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid |
|
 | | RAB | | 表記: | 2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | | 組成式: | C10 H13 N5 O4 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N | | 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 | | 別名: | 9-BETA-D-ARABINOFURANOSYL-ADENINE | | 定義日: | 2003-07-09 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 9-beta-D-arabinofuranosyl-9H-purin-6-amine |
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 | | XN3 | | 表記: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | | 組成式: | C38 H48 N4 O6 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc5ccc6OCOc6c5 | | InChi: | InChI=1S/C38H48N4O6/c1-38(2,3)40-37(46)31-23-41(21-26-13-14-33-34(18-26)48-24-47-33)15-16-42(31)22-29(43)19-28(17-25-9-5-4-6-10-25)36(45)39-35-30-12-8-7-11-27(30)20-32(35)44/h4-14,18,28-29,31-32,35,43-44H,15-17,19-24H2,1-3H3,(H,39,45)(H,40,46)/t28-,29+,31+,32-,35+/m1/s1 | | 別名: | ANALOGUE OF INDINAVIR DRUG | | 定義日: | 2001-11-02 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2S)-4-(1,3-benzodioxol-5-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide (non-preferred name) |
|
 | | SHU | | 表記: | 4,6-DIOXOHEPTANOIC ACID | | 組成式: | C7 H10 O4 | | SMILES: | O=C(CC(=O)C)CCC(=O)O | | InChi: | InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) | | 別名: | SUCCINYLACETONE | | 定義日: | 2001-07-09 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 4,6-dioxoheptanoic acid |
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 | | 5TR | | 表記: | [(2~{E},6~{E},10~{E},14~{E},18~{Z},22~{E},26~{Z},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate | | 組成式: | C55 H91 O4 P | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O | | 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+ | | 別名: | Undecaprenyl phosphate | | 定義日: | 2015-11-30 | | 最終更新日: | 2021-03-01 | | 公開日: | 2016-02-17 | | 識別子（ID）: | [(2~{E},6~{E},10~{E},14~{E},18~{Z},22~{E},26~{Z},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate |
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 | | SWH | | 表記: | {4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-) | | 組成式: | C24 H20 B F N O6 S | | SMILES: | O=C1S/C(C(=O)N1Cc2ccc(F)cc2)=Cc4ccc(OCc3ccc(cc3)[B-](O)(O)O)cc4 | | InChi: | InChI=1S/C24H20BFNO6S/c26-20-9-3-17(4-10-20)14-27-23(28)22(34-24(27)29)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(30,31)32/h1-13,30-32H,14-15H2/q-1/b22-13- | | 別名: | HA155 INHIBITOR | | 定義日: | 2010-09-14 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | {4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-) |
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