 | | C3O | | 表記: | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3 | | 組成式: | C30 H50 O4 | | SMILES: | O(CCC)C3C(O)C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC3O)=C | | InChi: | InChI=1S/C30H50O4/c1-7-18-34-28-26(31)19-23(21(3)27(28)32)13-12-22-11-9-17-30(6)24(14-15-25(22)30)20(2)10-8-16-29(4,5)33/h12-13,20,24-28,31-33H,3,7-11,14-19H2,1-2,4-6H3/b22-12+,23-13-/t20-,24-,25+,26-,27-,28+,30-/m1/s1 | | 別名: | 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-PROPOXY-,(1A,2A,3B,5Z,7E) | | 定義日: | 2006-06-19 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (1R,2S,3R,5Z,7E,14beta,17alpha)-2-propoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
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 | | C4D | | 表記: | 4,4'-Diaponeurosporene | | 組成式: | C30 H42 | | SMILES: | C(=[C@H]CC/C(C)=C/C=CC(C)=CC=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)C)(C)C | | 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+ | | 別名: | (4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene | | 定義日: | 2017-08-11 | | 最終更新日: | 2021-03-13 | | 公開日: | 2017-09-06 | | 識別子（ID）: | (4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene |
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 | | C5A | | 表記: | (1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid | | 組成式: | C7 H11 N O4 | | SMILES: | O=C(O)C1(N)CC(C(=O)O)CC1 | | InChi: | InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1 | | 別名: | 1S,3S-ACPD | | 定義日: | 2007-07-16 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid |
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 | | C5B | | 表記: | (1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID | | 組成式: | C7 H11 N O4 | | SMILES: | O=C(O)C1(N)CC(C(=O)O)CC1 | | InChi: | InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1 | | 別名: | 1S,3R-ACPD | | 定義日: | 2006-12-26 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid |
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 | | C6V | | 表記: | LSZ102 | | 組成式: | C25 H17 F3 O4 S | | SMILES: | [C@H](c4ccc(Oc3c1c(cc(cc1)O)sc3c2c(C(C)(F)F)cc(cc2)F)cc4)=[C@H]C(=O)O | | InChi: | InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+ | | 別名: | (2E)-3-[4-({2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl}oxy)phenyl]prop-2-enoic acid | | 定義日: | 2017-09-15 | | 最終更新日: | 2021-03-13 | | 公開日: | 2018-04-04 | | 識別子（ID）: | (2E)-3-[4-({2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl}oxy)phenyl]prop-2-enoic acid |
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 | | CA2 | | 表記: | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | | 組成式: | C16 H22 O6 | | SMILES: | O=C(O)C2(O)CC(O)C(O)C(CCCOc1ccccc1)C2 | | InChi: | InChI=1S/C16H22O6/c17-13-10-16(21,15(19)20)9-11(14(13)18)5-4-8-22-12-6-2-1-3-7-12/h1-3,6-7,11,13-14,17-18,21H,4-5,8-10H2,(H,19,20)/t11-,13+,14+,16-/m0/s1 | | 別名: | 1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)-CYCLOHEXANE-1-CARBOXYLIC ACID | | 定義日: | 2005-05-26 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid |
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 | | CAK | | 表記: | [(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE | | 組成式: | C7 H15 O8 P | | SMILES: | O=P(O)(O)OCC1CC(O)C(O)C(O)C1O | | InChi: | InChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1 | | 別名: | [(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL PHOSPHORIC ACID | | 定義日: | 2006-05-01 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | [(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate |
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 | | CAX | | 表記: | (2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3-TRIMETHYLCYCLOPENTANONE | | 組成式: | C10 H18 O3 | | SMILES: | O=C1C(C)C(C)(C)C(CC(O)O)C1 | | InChi: | InChI=1S/C10H18O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7,9,12-13H,4-5H2,1-3H3/t6-,7+/m1/s1 | | 別名: | (2S,4S)-ALPHA-CAMPHOLINIC ACID | | 定義日: | 2004-04-22 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (2S,4R)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone |
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 | | CC9 | | 表記: | curcumin | | 組成式: | C21 H20 O6 | | SMILES: | O=C(C=Cc1ccc(O)c(OC)c1)CC(=O)C=Cc2cc(OC)c(O)cc2 | | 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/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ | | 別名: | (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione | | 定義日: | 2013-04-19 | | 最終更新日: | 2021-03-13 | | 公開日: | 2019-08-28 | | 識別子（ID）: | (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione |
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 | | CCQ | | 表記: | L-CARNITINYL-COA INNER SALT | | 組成式: | C28 H49 N8 O18 P3 S | | SMILES: | CC(C)(CO[P]([O-])(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[CH](O)C[N+](C)(C)C | | InChi: | InChI=1S/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)/t16-,17-,21-,22-,23+,27-/m1/s1 | | 別名: | O5'-(4-(3-{2-[2-((R)-3-HYDROXY-4-(TRIMETHYLAMMONIO)-1-OXO-BUTYL)SULFANYL-ETHYLCARBAMOYL]-ETHYLCARBAMOYL}-(R)-3-HYDROXY-2,2-DIMETHYL-PROPYL)-1-HYDROXY-3-OXIDO-1,3-DIOXO-2,4-DIOXA-1,3-DIPHOSPHABUT-1-YL) 3'-PHOSPHO-ADENOSINE | | 定義日: | 2004-11-11 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[(3R)-3-hydroxy-4-trimethylazaniumyl-butanoyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] phosphate |
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 | | A1O | | 表記: | Quinabactin | | 組成式: | C20 H24 N2 O3 S | | SMILES: | O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2CCC)Cc3ccc(cc3)C | | InChi: | InChI=1S/C20H24N2O3S/c1-3-12-22-19-10-9-18(13-17(19)8-11-20(22)23)21-26(24,25)14-16-6-4-15(2)5-7-16/h4-7,9-10,13,21H,3,8,11-12,14H2,1-2H3 | | 別名: | 1-(4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | | 定義日: | 2013-06-28 | | 最終更新日: | 2021-03-13 | | 公開日: | 2013-08-07 | | 識別子（ID）: | 1-(4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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 | | A25 | | 表記: | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE | | 組成式: | C16 H17 Cl N4 O3 | | SMILES: | Clc3cc2c(OCCCCCOc1nc(cnc1)NC(=O)N2)cc3 | | InChi: | InChI=1S/C16H17ClN4O3/c17-11-4-5-13-12(8-11)19-16(22)21-14-9-18-10-15(20-14)24-7-3-1-2-6-23-13/h4-5,8-10H,1-3,6-7H2,(H2,19,20,21,22) | | 別名: | 7-CHLORO-11,17-DIOXA-2,4,20,22-TETRAAZA-TRICYCLO[16.3.1.0*5,10*]DOCOSA-1(22),5(10),6,8,18,20-HEXAEN-3-ONE | | 定義日: | 2007-02-01 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 18-chloro-11,12,13,14-tetrahydro-1H,10H-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2(3H)-one |
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 | | A3C | | 表記: | 2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate | | 組成式: | C19 H37 N O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCCN(C)CCC1C(=C)CCC2C(CCCC12C)(C)C | | InChi: | InChI=1S/C19H37NO7P2/c1-15-7-8-17-18(2,3)10-6-11-19(17,4)16(15)9-12-20(5)13-14-26-29(24,25)27-28(21,22)23/h16-17H,1,6-14H2,2-5H3,(H,24,25)(H2,21,22,23)/t16-,17-,19+/m0/s1 | | 別名: | 13-aza-13,14-dihydrocopalyl diphosphate | | 定義日: | 2010-10-22 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate |
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 | | A48 | | 表記: | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | | 組成式: | C26 H29 B F3 N O | | SMILES: | FC(F)(F)CN(c1ccc(O)cc1)B(c2c(cc(cc2C)C)C)c3c(cc(cc3C)C)C | | InChi: | InChI=1S/C26H29BF3NO/c1-16-11-18(3)24(19(4)12-16)27(25-20(5)13-17(2)14-21(25)6)31(15-26(28,29)30)22-7-9-23(32)10-8-22/h7-14,32H,15H2,1-6H3 | | 別名: | (N-2,2,2-TRIFLUOROETHYL-P-HYDROXYLANILINO)DIMESITYLBORANE | | 定義日: | 2007-06-06 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 4-{[bis(2,4,6-trimethylphenyl)boranyl](2,2,2-trifluoroethyl)amino}phenol |
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 | | A6A | | 表記: | 2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol | | 組成式: | C11 H16 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OCC(n1cnc2c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C11H16N5O7P/c12-10-7-11(14-3-13-10)16(4-15-7)5-1-22-6(9(18)8(5)17)2-23-24(19,20)21/h3-6,8-9,17-18H,1-2H2,(H2,12,13,14)(H2,19,20,21)/t5-,6-,8+,9-/m1/s1 | | 別名: | ((2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate | | 定義日: | 2010-08-26 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol |
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 | | A6C | | 表記: | 2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol | | 組成式: | C10 H16 N3 O8 P | | SMILES: | O=P(O)(O)OCC2OCC(N1C(=O)N=C(N)C=C1)C(O)C2O | | InChi: | InChI=1S/C10H16N3O8P/c11-7-1-2-13(10(16)12-7)5-3-20-6(9(15)8(5)14)4-21-22(17,18)19/h1-2,5-6,8-9,14-15H,3-4H2,(H2,11,12,16)(H2,17,18,19)/t5-,6-,8+,9-/m1/s1 | | 別名: | ((2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate | | 定義日: | 2010-08-26 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol |
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 | | A6U | | 表記: | 1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol | | 組成式: | C10 H15 N2 O9 P | | SMILES: | O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C=C1)C(O)C2O | | InChi: | InChI=1S/C10H15N2O9P/c13-7-1-2-12(10(16)11-7)5-3-20-6(9(15)8(5)14)4-21-22(17,18)19/h1-2,5-6,8-9,14-15H,3-4H2,(H,11,13,16)(H2,17,18,19)/t5-,6-,8+,9-/m1/s1 | | 別名: | ((2R,3S,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate | | 定義日: | 2010-08-26 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol |
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 | | 19O | | 表記: | Natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate | | 組成式: | C44 H36 O6 P2 | | SMILES: | O=P(O)(O)Cc1c9c(c(c3c1C4c2cc6c(cc2C3C4)C7c5ccccc5C6C7)CP(=O)(O)O)C%10c8cc%12c(cc8C9C%10)C%13c%11ccccc%11C%12C%13 | | InChi: | InChI=1S/C44H36O6P2/c45-51(46,47)17-39-41-35-15-36(32-12-28-24-9-23(27(28)11-31(32)35)19-5-1-2-6-20(19)24)42(41)40(18-52(48,49)50)44-38-16-37(43(39)44)33-13-29-25-10-26(30(29)14-34(33)38)22-8-4-3-7-21(22)25/h1-8,11-14,23-26,35-38H,9-10,15-18H2,(H2,45,46,47)(H2,48,49,50)/t23-,24+,25+,26-,35-,36+,37+,38- | | 別名: | [(1R,5S,9S,16R,20R,24S,28S,35R)-tridecacyclo[22.14.1.1~5,20~.1~9,16~.1~28,35~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,38~.0~27,36~.0~29,34~]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,29,31,33,36-pentadecaene-3,22-diyldimethanediyl]bis(phosphonic acid) | | 定義日: | 2012-11-09 | | 最終更新日: | 2021-03-13 | | 公開日: | 2013-02-22 | | 識別子（ID）: | [(1R,5S,9S,16R,20R,24S,28S,35R)-tridecacyclo[22.14.1.1~5,20~.1~9,16~.1~28,35~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,38~.0~27,36~.0~29,34~]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,29,31,33,36-pentadecaene-3,22-diyldimethanediyl]bis(phosphonic acid) (non-preferred name) |
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 | | A8N | | 表記: | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | | 組成式: | C21 H33 N3 | | SMILES: | c2c1c(c3c([nH+]c1ccc2)CCCC3)NCCCCCCCC[NH3+] | | InChi: | InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)/p+2 | | 別名: | (9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM | | 定義日: | 2003-12-04 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 9-[(8-ammoniooctyl)amino]-1,2,3,4-tetrahydroacridinium |
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 | | A8S | | 表記: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid | | 組成式: | C15 H20 O4 | | SMILES: | O=C(O)C=C(/C=C/C1(O)C(=CC(=O)CC1(C)C)C)C | | 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 | | 別名: | (+)-abscisic acid | | 定義日: | 2009-09-10 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid |
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 | | AAO | | 表記: | ACARBOSE DERIVED HEXASACCHARIDE | | 組成式: | C37 H63 N O28 | | SMILES: | O(C1C(OC(O)C(O)C1O)CO)C6OC(C(OC5OC(C)C(NC4C=C(CO)C(OC3OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5O)C(O)C6O)CO | | InChi: | InChI=1S/C37H63NO28/c1-8-15(18(46)25(53)34(58-8)64-31-13(6-42)62-37(28(56)23(31)51)65-30-12(5-41)59-33(57)24(52)21(30)49)38-10-2-9(3-39)29(20(48)16(10)44)63-36-27(55)22(50)32(14(7-43)61-36)66-35-26(54)19(47)17(45)11(4-40)60-35/h2,8,10-57H,3-7H2,1H3/t8-,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-/m1/s1 | | 別名: | 4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1->4)HEXOPYRANOSYL-(1->4)HEXOPYRANOSE | | 定義日: | 2004-11-18 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose |
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 | | ACP | | 表記: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | 組成式: | C11 H18 N5 O12 P3 | | SMILES: | O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | 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 | | 別名: | ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine |
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 | | ACQ | | 表記: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | 組成式: | C11 H19 N5 O15 P4 | | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C11H19N5O15P4/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(29-11)1-28-35(26,27)31-33(21,22)4-32(19,20)30-34(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H,26,27)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1 | | 別名: | ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TETRAPHOSPHATE | | 定義日: | 2001-06-12 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]oxy}phosphoryl]adenosine |
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 | | AD8 | | 表記: | 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone | | 組成式: | C15 H20 N2 O | | SMILES: | O=C(C13CC2CC(CC(C1)C2)C3)Cn4ccnc4 | | InChi: | InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2/t11-,12+,13-,15- | | 別名: | 2-(1H-imidazol-1-yl)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone | | 定義日: | 2008-05-12 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | 2-(1H-imidazol-1-yl)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone |
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 | | CFA | | 表記: | (2,4-DICHLOROPHENOXY)ACETIC ACID | | 組成式: | C8 H6 Cl2 O3 | | SMILES: | Clc1cc(Cl)ccc1OCC(=O)O | | InChi: | InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12) | | 別名: | 2,4-DICHLOROPHENOXYACETIC ACID | | 定義日: | 2001-12-05 | | 最終更新日: | 2021-03-13 | | 識別子（ID）: | (2,4-dichlorophenoxy)acetic acid |
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