 | | ISE | | 表記: | (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone | | 組成式: | C6 H10 O6 | | SMILES: | O=C1C(O)C(O)C(O)C(O)C1O | | 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- | | 別名: | Inosose | | 定義日: | 2010-07-08 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone |
|
 | | 32Z | | 表記: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one | | 組成式: | C18 H26 N2 O2 | | SMILES: | O=C3c2cccc(OCCCCN1CCCCC1)c2CCN3 | | InChi: | InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21) | | 定義日: | 2014-06-05 | | 最終更新日: | 2020-05-27 | | 公開日: | 2014-11-05 | | 識別子（ID）: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one |
|
 | | 779 | | 表記: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea | | 組成式: | C26 H39 N5 O2 | | SMILES: | O=C1N(C(=[N@H])NC1(CC3CCCC(NC(=O)Nc2ccccc2)C3)CCC4CCCCC4)C | | InChi: | InChI=1S/C26H39N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1 | | 定義日: | 2014-09-08 | | 最終更新日: | 2020-05-27 | | 公開日: | 2014-11-05 | | 識別子（ID）: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea |
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 | | C2R | | 表記: | 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID | | 組成式: | C9 H14 N3 O9 P | | SMILES: | O=C(O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O | | 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 | | 別名: | CAIR | | 定義日: | 2006-04-25 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid |
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 | | CGQ | | 表記: | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM | | 組成式: | C17 H22 N9 | | SMILES: | N([NH+]=C(/N)N/N=C/c1cccc(C(=[NH2+])N)c1)=C/c2cccc(C(=[NH2+])N)c2 | | InChi: | InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)/p+3/b23-9+,24-10+ | | 別名: | CGP40215A | | 定義日: | 2002-07-30 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | (1E,2E)-1-{amino[(2E)-2-({3-[amino(iminio)methyl]phenyl}methylidene)hydrazino]methylidene}-2-({3-[amino(iminio)methyl]phenyl}methylidene)diazanium |
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 | | CHK | | 表記: | 6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-6-DEOXY-D-XYLO-HEXITOL | | 組成式: | C16 H31 N O7 | | SMILES: | O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CC1CCCCC1 | | InChi: | InChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1 | | 別名: | C-HEGA-8 | | 定義日: | 2004-11-24 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | 6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-D-allitol |
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 | | CIA | | 表記: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE | | 組成式: | C22 H19 N3 O4 | | SMILES: | O=C1N(C)CC(=O)N6C1Cc3c2ccccc2nc3C6c4ccc5OCOc5c4 | | InChi: | InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | | 別名: | TADALAFIL | | 定義日: | 2003-05-08 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | (6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione |
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 | | CTL | | 表記: | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL | | 組成式: | C10 H13 N O | | SMILES: | OC2c1ccccc1CCC2N | | InChi: | InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10+/m0/s1 | | 別名: | CIS-(1R,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE | | 定義日: | 2005-08-12 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | (1R,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol |
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 | | D2V | | 表記: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol | | 組成式: | C28 H44 O | | SMILES: | OC3CC(=C/C=C1CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)/C(=C)CC3 | | 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 | | 別名: | Vitamin D2 | | 定義日: | 2008-04-30 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol |
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 | | D4M | | 表記: | [(5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2,5-DIHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | | 組成式: | C10 H13 N2 O7 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C=C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | | 別名: | 2',3'-DIDEOXY-2',3-DIDEHYDROTHYMIDINE 5'-MONOPHOSPHATE | | 定義日: | 2005-05-10 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | [(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate |
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 | | DR6 | | 表記: | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | | 組成式: | C74 H142 O31 | | SMILES: | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C | | InChi: | InChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3 | | 別名: | OCTYLPHENOXYPOLYETHOXYETHANOL | | 定義日: | 2005-03-16 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | 89-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-nonacosaoxanonaoctacontan-1-ol |
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 | | DRM | | 表記: | {[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOPENTYL]OXY}METHYLPHOSPHONIC ACID | | 組成式: | C10 H15 N2 O6 P | | SMILES: | O=P(O)(O)COC2CCCC2N1C=CC(=O)NC1=O | | InChi: | InChI=1S/C10H15N2O6P/c13-9-4-5-12(10(14)11-9)7-2-1-3-8(7)18-6-19(15,16)17/h4-5,7-8H,1-3,6H2,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1 | | 別名: | 1-TRANS-(2-PHOSPHONOMETHOXYCYCLOPENTYL)URACIL | | 定義日: | 2003-09-17 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | ({[(1R,2R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}methyl)phosphonic acid |
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 | | E55 | | 表記: | 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE | | 組成式: | C66 H126 N2 O19 P2 | | SMILES: | O=P(OC1OC(C(O)C(OCCCCCCCCCC)C1NC(=O)CC(=O)CCCCCCCCCCC)COC2OC(COC)C(OP(=O)(O)O)C(OCCC(OC)CCCCCCC)C2NC(=O)CCCCCCCCCC=C/CCCCCC)(O)O | | InChi: | InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1 | | 別名: | E5564 | | 定義日: | 2007-08-01 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | 3-O-decyl-2-deoxy-6-O-{2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11Z)-octadec-11-enoylamino]-4-O-phosphono-beta-D-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-O-phosphono-alpha-D-glucopyranose |
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 | | EC6 | | 表記: | N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide | | 組成式: | C28 H54 N4 O5 | | SMILES: | O=C(NC(C(O)C(CC)C)CC(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C | | InChi: | InChI=1S/C28H54N4O5/c1-10-12-13-14-23(33)31-25(19(5)6)28(37)29-21(15-16-24(34)32(8)9)27(36)30-22(17-18(3)4)26(35)20(7)11-2/h18-22,25-26,35H,10-17H2,1-9H3,(H,29,37)(H,30,36)(H,31,33)/t20-,21+,22+,25+,26+/m1/s1 | | 別名: | Double bound form of enone carmaphycin analogue 6 | | 定義日: | 2013-09-06 | | 最終更新日: | 2020-05-27 | | 公開日: | 2014-07-02 | | 識別子（ID）: | N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide |
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 | | 2RT | | 表記: | 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile | | 組成式: | C19 H18 N6 | | SMILES: | N#Cc1ccc(cc1)Nc2ncnc(n2)Nc3c(cc(cc3C)C)C | | InChi: | InChI=1S/C19H18N6/c1-12-8-13(2)17(14(3)9-12)24-19-22-11-21-18(25-19)23-16-6-4-15(10-20)5-7-16/h4-9,11H,1-3H3,(H2,21,22,23,24,25) | | 定義日: | 2014-01-14 | | 最終更新日: | 2020-05-27 | | 公開日: | 2014-11-05 | | 識別子（ID）: | 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile |
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 | | EQ3 | | 表記: | (3'R)-3'-hydroxy-beta,beta-caroten-4-one | | 組成式: | C40 H54 O2 | | SMILES: | CC1(CC(O)CC(C)=C1[C@H]=[C@H]C(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H]C=2C(CCC(C=2C)=O)(C)C)C | | 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 | | 別名: | 3'-Hydroxyechinenone | | 定義日: | 2016-12-19 | | 最終更新日: | 2020-05-27 | | 公開日: | 2017-01-18 | | 識別子（ID）: | (3'R)-3'-hydroxy-beta,beta-caroten-4-one |
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 | | AZU | | 表記: | 2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate | | 組成式: | C10 H15 N3 O4 S | | SMILES: | CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O | | InChi: | InChI=1S/C10H15N3O4S/c1-10(2,3)5-17-6(14)4-18-8-7(15)11-9(16)13-12-8/h4-5H2,1-3H3,(H2,11,13,15,16) | | 定義日: | 2015-11-11 | | 最終更新日: | 2020-05-27 | | 公開日: | 2016-04-20 | | 識別子（ID）: | 2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate |
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 | | B3J | | 表記: | (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | 組成式: | C31 H48 N4 O10 S | | SMILES: | C(CC1CCNC1=O)(C(O)S(=O)(O)=O)NC(C(CC(C)C)NC(=O)OC3(Cc2ccccc2)CCN(CC3)C(OC(C)(C)C)=O)=O | | InChi: | InChI=1S/C31H48N4O10S/c1-20(2)17-23(26(37)33-24(27(38)46(41,42)43)18-22-11-14-32-25(22)36)34-28(39)44-31(19-21-9-7-6-8-10-21)12-15-35(16-13-31)29(40)45-30(3,4)5/h6-10,20,22-24,27,38H,11-19H2,1-5H3,(H,32,36)(H,33,37)(H,34,39)(H,41,42,43)/t22-,23-,24-,27-/m0/s1 | | 定義日: | 2017-07-31 | | 最終更新日: | 2020-05-27 | | 公開日: | 2018-04-04 | | 識別子（ID）: | (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | EXM | | 表記: | (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione | | 組成式: | C20 H24 O2 | | SMILES: | O=C2C=C1C(=C)CC3C(C1(C=C2)C)CCC4(C(=O)CCC34)C | | 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 | | 別名: | Exemestane | | 定義日: | 2011-06-06 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione |
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 | | FA4 | | 表記: | SM-25453 | | 組成式: | C24 H42 N6 O3 | | SMILES: | O=C(NO)C(NC(=O)CCCCCCCCCc1ccccc1CNC(=[N@H])N)CCCCN | | InChi: | InChI=1S/C24H42N6O3/c25-17-11-10-15-21(23(32)30-33)29-22(31)16-7-5-3-1-2-4-6-12-19-13-8-9-14-20(19)18-28-24(26)27/h8-9,13-14,21,33H,1-7,10-12,15-18,25H2,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m1/s1 | | 別名: | (2-(9-((R)-1-(HYDROXYCARBAMOYL)-5-AMINOPENTYLCARBAMOYL)NONYL)BENZYL)GUANIDINE | | 定義日: | 2005-09-28 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | N-[(1R)-5-amino-1-(hydroxycarbamoyl)pentyl]-10-[2-(carbamimidamidomethyl)phenyl]decanamide |
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 | | FDT | | 表記: | (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID | | 組成式: | C10 H10 N4 O3 S | | SMILES: | O=C(O)C=1NC=C(C=O)C(SC=1)c2nnn(c2)C | | InChi: | InChI=1S/C10H10N4O3S/c1-14-3-7(12-13-14)9-6(4-15)2-11-8(5-18-9)10(16)17/h2-5,9,11H,1H3,(H,16,17)/t9-/m0/s1 | | 別名: | 7-(1-METHYL-1,2,3-TRIAZOL-4-YL)-6-FORMYL-2,7-DIHYDRO-[1,4]THIAZEPINE-3-CARBOXYLIC ACID | | 定義日: | 2004-12-09 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | (7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid |
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 | | DF8 | | 表記: | (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | | 組成式: | C10 H15 N7 O4 | | SMILES: | NNc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O | | InChi: | InChI=1S/C10H15N7O4/c11-7-4-8(14-2-13-7)17(10(15-4)16-12)9-6(20)5(19)3(1-18)21-9/h2-3,5-6,9,18-20H,1,12H2,(H,15,16)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1 | | 別名: | NEOMYCIN A | | 定義日: | 2018-01-17 | | 最終更新日: | 2020-05-27 | | 公開日: | 2019-01-30 | | 識別子（ID）: | (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
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 | | DJN | | 表記: | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide | | 組成式: | C8 H16 N2 O4 | | SMILES: | O=C(NC1C(O)C(O)C(NC1)CO)C | | InChi: | InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1 | | 別名: | 2-acetamido-1,2-dideoxy-D-galacto-nojirimycin | | 定義日: | 2012-02-14 | | 最終更新日: | 2020-05-27 | | 公開日: | 2012-10-05 | | 識別子（ID）: | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide |
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 | | DK1 | | 表記: | 5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID | | 組成式: | C10 H5 Cl2 N O3 | | SMILES: | Clc1cc2nc(cc(O)c2c(Cl)c1)C(=O)O | | InChi: | InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16) | | 別名: | DCKA | | 定義日: | 2003-06-03 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | 5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid |
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 | | FR4 | | 表記: | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | | 組成式: | C25 H27 N5 O3 | | SMILES: | O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCc4ccccc4 | | InChi: | InChI=1S/C25H27N5O3/c26-25(33)22-15-30(17-27-22)21(16-31)11-13-29-12-10-19-7-8-20(14-23(19)29)28-24(32)9-6-18-4-2-1-3-5-18/h1-5,7-8,10,12,14-15,17,21,31H,6,9,11,13,16H2,(H2,26,33)(H,28,32)/t21-/m1/s1 | | 別名: | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPYL)AMINO]-1H-INDOL-1-YL}-1H-IMIDAZOLE-4-CARBOXAMIDE | | 定義日: | 2003-10-05 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | 1-[(1R)-1-(hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1H-indol-1-yl}propyl]-1H-imidazole-4-carboxamide |
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