 | | IL2 | | 表記: | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid | | 組成式: | C22 H32 O4 | | SMILES: | O=C(O)CCCC=C1/CC2CC(O)C(/C=C/C(O)C(C)CC#CC)C2C1 | | InChi: | InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15-,17+,18-,19+,20-,21-/m1/s1 | | 定義日: | 2011-07-08 | | 最終更新日: | 2011-07-15 | | 識別子（ID）: | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid |
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 | | NOO | | 表記: | N-(3-oxocyclohex-1-en-1-yl)octanamide | | 組成式: | C14 H23 N O2 | | SMILES: | O=C1C=C(NC(=O)CCCCCCC)CCC1 | | InChi: | InChI=1S/C14H23NO2/c1-2-3-4-5-6-10-14(17)15-12-8-7-9-13(16)11-12/h11H,2-10H2,1H3,(H,15,17) | | 定義日: | 2010-10-25 | | 最終更新日: | 2011-07-01 | | 識別子（ID）: | N-(3-oxocyclohex-1-en-1-yl)octanamide |
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 | | TIR | | 表記: | TIRANDAMYCIN E | | 組成式: | C22 H29 N O6 | | SMILES: | C[CH](C=C(C)C=CC(O)=C1C(=O)CNC1=O)[CH]2O[C]3(C)O[CH]([CH]2C)[CH](O)C=C3C | | InChi: | InChI=1S/C22H29NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,16,19-20,24-25H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15-/t12-,14-,16+,19-,20+,22+/m1/s1 | | 定義日: | 2010-12-23 | | 最終更新日: | 2011-06-24 | | 識別子（ID）: | (3Z)-3-[(2E,4E,6R)-1-hydroxy-6-[(1S,4S,5S,6R,7R)-4-hydroxy-1,2,6-trimethyl-8,9-dioxabicyclo[3.3.1]non-2-en-7-yl]-4-methyl-hepta-2,4-dienylidene]pyrrolidine-2,4-dione |
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 | | TRK | | 表記: | TIRANDAMYCIN D | | 組成式: | C22 H27 N O6 | | SMILES: | O=C1/C(C(=O)NC1)=C(/O)C=CC(=CC(C3OC2(OC(C(=O)C=C2C)C3C)C)C)C | | InChi: | InChI=1S/C22H27NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,19-20,24H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15-/t12-,14-,19-,20+,22+/m1/s1 | | 定義日: | 2010-12-22 | | 最終更新日: | 2011-06-24 | | 識別子（ID）: | (3Z)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1S,3R,4R,5S)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}pyrrolidine-2,4-dione |
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 | | TE2 | | 表記: | 3-(4-sulfamoylphenyl)-N-[6-({(6Z)-2-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethyl]-6-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide | | 組成式: | C47 H61 N5 O3 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)CCC(=O)NCCCCCCNC=4/C(=CC=C3N(c2ccccc2C3(C)C)C)CCCC=4CC=C6/N(c5ccccc5C6(C)C)C | | InChi: | InChI=1S/C47H61N5O3S/c1-46(2)38-18-9-11-20-40(38)51(5)42(46)29-25-35-16-15-17-36(26-30-43-47(3,4)39-19-10-12-21-41(39)52(43)6)45(35)50-33-14-8-7-13-32-49-44(53)31-24-34-22-27-37(28-23-34)56(48,54)55/h9-12,18-23,25,27-30,50H,7-8,13-17,24,26,31-33H2,1-6H3,(H,49,53)(H2,48,54,55)/b35-25-,42-29+,43-30- | | 定義日: | 2010-07-05 | | 最終更新日: | 2011-06-17 | | 識別子（ID）: | 3-(4-sulfamoylphenyl)-N-[6-({(6Z)-2-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethyl]-6-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide |
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 | | O7U | | 表記: | (2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide | | 組成式: | C3 H6 N3 O2 P | | SMILES: | O=C1NC=CP(=O)(N)N1 | | InChi: | InChI=1S/C3H6N3O2P/c4-9(8)2-1-5-3(7)6-9/h1-2H,(H4,4,5,6,7,8)/t9-/m1/s1 | | 定義日: | 2010-09-10 | | 最終更新日: | 2011-06-10 | | 識別子（ID）: | (2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide |
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 | | Y12 | | 表記: | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE | | 組成式: | C21 H21 N O5 | | SMILES: | O=C(Oc1cc(ccc1OC(=O)C)C=CC(=O)NCCc2ccccc2)C | | InChi: | InChI=1S/C21H21NO5/c1-15(23)26-19-10-8-18(14-20(19)27-16(2)24)9-11-21(25)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)/b11-9+ | | 定義日: | 2005-11-10 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 4-{(1E)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}benzene-1,2-diyl diacetate |
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 | | VA | | 表記: | (Z)-OCTADEC-11-ENYL ACETATE | | 組成式: | C20 H38 O2 | | SMILES: | O=C(OCCCCCCCCCCC=C/CCCCCC)C | | InChi: | InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8- | | 定義日: | 2006-05-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (11Z)-octadec-11-en-1-yl acetate |
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 | | HA8 | | 表記: | N6-(buta-2,3-dienyl)adenine | | 組成式: | C9 H9 N5 | | SMILES: | n1c(N=CCC=C)c2c(nc1)ncn2 | | InChi: | InChI=1S/C9H9N5/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h2,4-6H,1,3H2,(H,11,12,13,14)/b10-4+ | | 定義日: | 2008-02-20 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | N-[(1E)-but-3-en-1-ylidene]-7H-purin-6-amine |
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 | | S1A | | 表記: | SORAPHEN A | | 組成式: | C29 H44 O8 | | SMILES: | O=C3OC(c1ccccc1)CCCCC(OC)C(OC)C=CC(C2OC(O)(C(OC)C(O)C2C)C3C)C | | 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 | | 定義日: | 2004-10-06 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one (non-preferred name) |
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 | | HCC | | 表記: | 2',4,4'-TRIHYDROXYCHALCONE | | 組成式: | C15 H12 O4 | | SMILES: | O=C(c1ccc(O)cc1O)C=Cc2ccc(O)cc2 | | 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+ | | 定義日: | 2000-09-27 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
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 | | S1S | | 表記: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID | | 組成式: | C41 H46 N4 O10 | | SMILES: | O=C(O)C(C(=O)O)c1ccc(cc1)C2C=CCC(CNC(=O)C(NC(=O)C3(NC(=O)C2CC(=O)O)CCCCC3)CC(=O)N)Cc5c4ccccc4ccc5 | | InChi: | InChI=1S/C41H46N4O10/c42-33(46)22-32-37(50)43-23-24(20-28-11-7-10-25-9-2-3-12-29(25)28)8-6-13-30(26-14-16-27(17-15-26)35(38(51)52)39(53)54)31(21-34(47)48)36(49)45-41(40(55)44-32)18-4-1-5-19-41/h2-3,6-7,9-17,24,30-32,35H,1,4-5,8,18-23H2,(H2,42,46)(H,43,50)(H,44,55)(H,45,49)(H,47,48)(H,51,52)(H,53,54)/b13-6+/t24-,30+,31-,32+/m0/s1 | | 定義日: | 2005-09-02 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | {4-[(9S,10S,11E,14S,18R)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}propanedioic acid |
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 | | VDO | | 表記: | [(1R,2R,3S,4S,5S)-2,3,4-TRIHYDROXY-5-{[(1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}CYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE | | 組成式: | C14 H26 N O11 P | | SMILES: | O=P(O)(O)OCC2C(O)C(O)C(O)C(NC1C=C(CO)C(O)C(O)C1O)C2 | | InChi: | InChI=1S/C14H26NO11P/c16-3-5-1-7(11(19)13(21)9(5)17)15-8-2-6(4-26-27(23,24)25)10(18)14(22)12(8)20/h1,6-22H,2-4H2,(H2,23,24,25)/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1 | | 定義日: | 2009-09-25 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | [(1R,2R,3S,4S,5S)-2,3,4-trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate |
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 | | HE1 | | 表記: | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | | 組成式: | C10 H13 O4 P S | | SMILES: | O=P(O)(O)/C=C/CCSc1ccccc1O | | InChi: | InChI=1S/C10H13O4PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-3,5-7,11H,4,8H2,(H2,12,13,14)/b7-3+ | | 定義日: | 1999-07-23 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | {(1E)-4-[(2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid |
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 | | ZBA | | 表記: | 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate | | 組成式: | C24 H32 O9 | | SMILES: | O=C(OC4C(=CC3OC2C1(OC1)C(C(OC(=O)C)C2O)(C)C3(COC(=O)C)C4)C)CC(=C)C | | InChi: | InChI=1S/C24H32O9/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/h8,16-17,19-21,28H,1,7,9-11H2,2-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1 | | 定義日: | 2007-11-26 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (3alpha,4alpha,8beta,11beta)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbut-3-enoate |
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 | | HF1 | | 表記: | 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID | | 組成式: | C10 H12 F O4 P S | | SMILES: | Fc1cc(SCC/C=C/P(=O)(O)O)c(O)cc1 | | InChi: | InChI=1S/C10H12FO4PS/c11-8-3-4-9(12)10(7-8)17-6-2-1-5-16(13,14)15/h1,3-5,7,12H,2,6H2,(H2,13,14,15)/b5-1+ | | 定義日: | 1999-08-10 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | {(1E)-4-[(5-fluoro-2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid |
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 | | HFL | | 表記: | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL | | 組成式: | C10 H12 O5 | | SMILES: | O(c1cc(cc(O)c1O)/C=C/C(O)O)C | | InChi: | InChI=1S/C10H12O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,9,11-14H,1H3/b3-2+ | | 定義日: | 2002-02-12 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 5-[(1E)-3,3-dihydroxyprop-1-en-1-yl]-3-methoxybenzene-1,2-diol |
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 | | XAL | | 表記: | [(1S,4R,6R)-6-HYDROXY-4-(ADENIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | | 組成式: | C12 H16 N5 O5 P | | SMILES: | O=P(O)(O)OCC3C=CC(n1c2ncnc(c2nc1)N)CC3O | | InChi: | InChI=1S/C12H16N5O5P/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(9(18)3-8)4-22-23(19,20)21/h1-2,5-9,18H,3-4H2,(H2,13,14,15)(H2,19,20,21)/t7-,8-,9+/m0/s1 | | 定義日: | 2006-05-19 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | [(1S,4R,6R)-4-(6-amino-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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 | | ULA | | 表記: | ULAPUALIDE A | | 組成式: | C46 H66 N4 O13 | | SMILES: | O=C(OC(C(/C=CN(C)CO)C)C(C(=O)CCC(C)C(OC)CC4OC(=O)CC(O)CCCC(=O)CC(c1nc(oc1)c2nc(oc2)c3nc(oc3)C=CCC(OC)C4C)C)C)C | | InChi: | InChI=1S/C46H66N4O13/c1-27(16-17-38(55)30(4)44(62-32(6)52)28(2)18-19-50(7)26-51)40(58-9)22-41-31(5)39(57-8)14-11-15-42-47-36(24-59-42)45-49-37(25-61-45)46-48-35(23-60-46)29(3)20-33(53)12-10-13-34(54)21-43(56)63-41/h11,15,18-19,23-25,27-31,34,39-41,44,51,54H,10,12-14,16-17,20-22,26H2,1-9H3/b15-11+,19-18?/t27-,28?,29-,30+,31+,34-,39-,40-,41-,44?/m0/s1 | | 定義日: | 2004-02-09 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S,6S,7S)-8-[(10S,16S,20S,21R,22S,24E)-16-hydroxy-22-methoxy-10,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-1-{3-[(hydroxymethyl)(methyl)amino]-1-methylprop-2-en-1-yl}-7-methoxy-2,6-dimethyl-3-oxooctyl acetate |
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 | | XAR | | 表記: | [(1R,4S,6S)-4-(6-AMINO-9H-PURIN-9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | | 組成式: | C12 H16 N5 O5 P | | SMILES: | O=P(O)(O)OCC3C=CC(n1c2ncnc(c2nc1)N)CC3O | | InChi: | InChI=1S/C12H16N5O5P/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(9(18)3-8)4-22-23(19,20)21/h1-2,5-9,18H,3-4H2,(H2,13,14,15)(H2,19,20,21)/t7-,8-,9+/m1/s1 | | 定義日: | 2007-04-18 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | [(1R,4S,6S)-4-(6-amino-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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 | | XTL | | 表記: | [(1S,4R,6R)-6-HYDROXY-4-(THYMIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | | 組成式: | C12 H17 N2 O7 P | | SMILES: | O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O | | InChi: | InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m0/s1 | | 定義日: | 2006-05-19 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | [(1S,4R,6R)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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 | | XTR | | 表記: | [(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate | | 組成式: | C12 H17 N2 O7 P | | SMILES: | O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O | | InChi: | InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m1/s1 | | 定義日: | 2009-01-05 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | [(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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 | | XCL | | 表記: | [(1S,4R,6R)-6-HYDROXY-4-(CYTOSIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | | 組成式: | C11 H16 N3 O6 P | | SMILES: | O=C1N=C(C=CN1C2C=CC(COP(=O)(O)O)C(O)C2)N | | InChi: | InChI=1S/C11H16N3O6P/c12-10-3-4-14(11(16)13-10)8-2-1-7(9(15)5-8)6-20-21(17,18)19/h1-4,7-9,15H,5-6H2,(H2,12,13,16)(H2,17,18,19)/t7-,8-,9+/m0/s1 | | 定義日: | 2006-05-19 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | [(1S,4R,6R)-4-(4-amino-2-oxopyrimidin-1(2H)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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 | | XCR | | 表記: | [(1R,4S,6S)-4-(4-amino-2-oxopyrimidin-1(2H)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate | | 組成式: | C11 H16 N3 O6 P | | SMILES: | NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)C=C2 | | InChi: | InChI=1S/C11H16N3O6P/c12-10-3-4-14(11(16)13-10)8-2-1-7(9(15)5-8)6-20-21(17,18)19/h1-4,7-9,15H,5-6H2,(H2,12,13,16)(H2,17,18,19)/t7-,8-,9+/m1/s1 | | 定義日: | 2009-11-20 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | [(1R,4S,6S)-4-(4-azanyl-2-oxo-pyrimidin-1-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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 | | XD9 | | 表記: | (4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID | | 組成式: | C12 H14 O5 S | | SMILES: | O=C(O)C2(O)c1c(sc(c1)/C=C/C)C(O)C(O)C2 | | InChi: | InChI=1S/C12H14O5S/c1-2-3-6-4-7-10(18-6)9(14)8(13)5-12(7,17)11(15)16/h2-4,8-9,13-14,17H,5H2,1H3,(H,15,16)/b3-2+/t8-,9+,12-/m1/s1 | | 定義日: | 2010-04-30 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (4R,6R,7S)-4,6,7-trihydroxy-2-[(1E)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid |
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