 | | Q97 | | 表記: | 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol | | 組成式: | C24 H24 O3 | | SMILES: | O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(c3ccc(O)cc3)CC)CC | | InChi: | InChI=1S/C24H24O3/c1-3-23(17-5-11-20(25)12-6-17)24(18-7-13-21(26)14-8-18)19-9-15-22(16-10-19)27-4-2/h5-16,25-26H,3-4H2,1-2H3/b24-23- | | 定義日: | 2011-01-20 | | 最終更新日: | 2012-01-06 | | 識別子（ID）: | 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol |
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 | | TSL | | 表記: | TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | | 組成式: | C8 H13 N O5 S | | SMILES: | O=S(O)C(C(NC=CC=O)C(=O)O)(C)C | | InChi: | InChI=1S/C8H13NO5S/c1-8(2,15(13)14)6(7(11)12)9-4-3-5-10/h3-6,9H,1-2H3,(H,11,12)(H,13,14)/b4-3+/t6-/m0/s1 | | 定義日: | 2005-07-28 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine |
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 | | FSC | | 表記: | FUSICOCCIN | | 組成式: | C36 H56 O12 | | SMILES: | O=C(OCC(C3=C2C(OC1OC(C(O)C(OC(=O)C)C1O)COC(C=C)(C)C)C(O)C(C)C4C(=CC2(C)C(O)C3)C(COC)CC4)C)C | | InChi: | InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1 | | 定義日: | 2002-12-12 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | (2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-4-{[3-O-acetyl-6-O-(1,1-dimethylprop-2-en-1-yl)-alpha-D-glucopyranosyl]oxy}-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]propyl acetate |
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 | | 100 | | 表記: | 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE | | 組成式: | C12 H8 Cl N5 O2 | | SMILES: | Clc1cc2c(cc1)ncc2C(=O)C=C(/O)c3nnnn3 | | InChi: | InChI=1S/C12H8ClN5O2/c13-6-1-2-9-7(3-6)8(5-14-9)10(19)4-11(20)12-15-17-18-16-12/h1-5,14,20H,(H,15,16,17,18)/b11-4- | | 定義日: | 1999-07-08 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | (2Z)-1-(5-chloro-1H-indol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)prop-2-en-1-one |
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 | | MA0 | | 表記: | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)-PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | | 組成式: | C13 H16 N O | | SMILES: | Oc1ccc2c(c1)C([N+](=CC=C)C)CC2 | | InChi: | InChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h3-4,6,8-9,13H,1,5,7H2,2H3/p+1/b14-8+/t13-/m1/s1 | | 定義日: | 2005-11-07 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | (1R)-6-hydroxy-N-methyl-N-[(1E)-prop-2-en-1-ylidene]-2,3-dihydro-1H-inden-1-aminium |
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 | | MD1 | | 表記: | PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER | | 組成式: | C20 H26 N10 O13 P2 S2 | | SMILES: | O=C2NC(=NC=1N=CC(NC=12)C(/S)=C(/S)C(O)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c4N=C(N)NC3=O)C(O)C5O)N | | InChi: | InChI=1S/C20H26N10O13P2S2/c21-19-26-14-8(16(34)28-19)25-5(1-23-14)12(46)13(47)6(31)2-40-44(36,37)43-45(38,39)41-3-7-10(32)11(33)18(42-7)30-4-24-9-15(30)27-20(22)29-17(9)35/h1,4-7,10-11,18,25,31-33,46-47H,2-3H2,(H,36,37)(H,38,39)(H3,21,26,28,34)(H3,22,27,29,35)/b13-12-/t5-,6-,7-,10-,11-,18-/m1/s1 | | 定義日: | 2003-09-29 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | 5'-O-[(S)-{[(R)-({(2R,3Z)-4-[(6R)-2-amino-4-oxo-3,4,5,6-tetrahydropteridin-6-yl]-2-hydroxy-3,4-disulfanylbut-3-en-1-yl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
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 | | AYD | | 表記: | 4-{[(4'-AMINO-2'-METHYLPYRIMIDIN-5'-YL)METHYL]AMINO}PENT-3-ENYL DIPHOSPHATE | | 組成式: | C11 H20 N4 O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC/C=C(/NCc1cnc(nc1N)C)C | | InChi: | InChI=1S/C11H20N4O7P2/c1-8(13-6-10-7-14-9(2)15-11(10)12)4-3-5-21-24(19,20)22-23(16,17)18/h4,7,13H,3,5-6H2,1-2H3,(H,19,20)(H2,12,14,15)(H2,16,17,18)/b8-4+ | | 定義日: | 2002-10-31 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | (3E)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}pent-3-en-1-yl trihydrogen diphosphate |
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 | | 5X | | 表記: | 5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE | | 組成式: | C19 H18 N2 O3 S3 | | SMILES: | O=S(=O)(NN1C(=O)C(SC1=S)CC(=Cc2ccccc2)C)c3ccccc3 | | InChi: | InChI=1S/C19H18N2O3S3/c1-14(12-15-8-4-2-5-9-15)13-17-18(22)21(19(25)26-17)20-27(23,24)16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3/b14-12+/t17-/m1/s1 | | 定義日: | 2005-09-22 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | N-{(5R)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzenesulfonamide |
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 | | EP | | 表記: | EPOTHILONE A | | 組成式: | C26 H39 N O6 S | | SMILES: | O=C1C(C)C(O)C(C)CCCC3OC3CC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C | | InChi: | InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1 | | 定義日: | 2004-08-01 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione |
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 | | EPD | | 表記: | EPOTHILONE D | | 組成式: | C27 H41 N O5 S | | SMILES: | O=C1C(C)C(O)C(C)CCCC(=CCC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C)C | | InChi: | InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1 | | 定義日: | 2003-07-03 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]oxacyclohexadec-13-ene-2,6-dione |
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 | | DRQ | | 表記: | (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL | | 組成式: | C22 H30 O2 | | SMILES: | Oc1cc4c(cc1C=C/CC)C3CCC2(C(CCC2O)C3CC4)C | | InChi: | InChI=1S/C22H30O2/c1-3-4-5-15-12-18-14(13-20(15)23)6-7-17-16(18)10-11-22(2)19(17)8-9-21(22)24/h4-5,12-13,16-17,19,21,23-24H,3,6-11H2,1-2H3/b5-4-/t16-,17+,19-,21-,22-/m0/s1 | | 定義日: | 2006-03-24 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | (9beta,13alpha,17beta)-2-[(1Z)-but-1-en-1-yl]estra-1,3,5(10)-triene-3,17-diol |
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 | | AJ3 | | 表記: | 3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL | | 組成式: | C6 H10 O S2 | | SMILES: | O=S(CC=C)CC=CS | | InChi: | InChI=1S/C6H10OS2/c1-2-5-9(7)6-3-4-8/h2-4,8H,1,5-6H2/b4-3+/t9-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | (1E)-3-[(R)-prop-2-en-1-ylsulfinyl]prop-1-ene-1-thiol |
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 | | PHW | | 表記: | N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide | | 組成式: | C45 H48 N3 O9 P | | SMILES: | O=C(NC(CC=COC)P(Oc1ccccc1)(Oc2ccccc2)(O)O)C6N(C(=O)C(NC(=O)OCc3ccccc3)C(c4ccccc4)c5ccccc5)CCC6 | | InChi: | InChI=1S/C45H48N3O9P/c1-54-32-18-30-40(58(52,53,56-37-25-13-5-14-26-37)57-38-27-15-6-16-28-38)46-43(49)39-29-17-31-48(39)44(50)42(47-45(51)55-33-34-19-7-2-8-20-34)41(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h2-16,18-28,32,39-42,52-53H,17,29-31,33H2,1H3,(H,46,49)(H,47,51)/b32-18+/t39-,40-,42+/m0/s1 | | 定義日: | 2001-02-07 | | 最終更新日: | 2012-01-05 | | 識別子（ID）: | N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide |
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 | | MNK | | 表記: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one | | 組成式: | C15 H18 O3 | | SMILES: | O=C1C(O)=CC(=C2C(=C1O)CCC(C(=C)C)C2)C | | InChi: | InChI=1S/C15H18O3/c1-8(2)10-4-5-11-12(7-10)9(3)6-13(16)15(18)14(11)17/h6,10H,1,4-5,7H2,2-3H3,(H2,16,17,18)/t10-/m0/s1 | | 定義日: | 2011-02-03 | | 最終更新日: | 2011-12-16 | | 識別子（ID）: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one |
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 | | TBM | | 表記: | 4-METHYL-4-[(E)-2-BUTENYL]-4,N-DIMETHYL-THREONINE | | 組成式: | C11 H21 N O3 | | SMILES: | O=C(O)C(N(C)C)C(O)C(C/C=C/C)C | | InChi: | InChI=1S/C11H21NO3/c1-5-6-7-8(2)10(13)9(11(14)15)12(3)4/h5-6,8-10,13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9+,10-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-12-12 | | 識別子（ID）: | 4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(dimethylamino)-L-xylonic acid |
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 | | LNP | | 表記: | (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol | | 組成式: | C33 H54 O | | SMILES: | OC5C(C1C(C3C(=CC1)C4(C=C2/CC2)C(CC3)(C)C(C(C)CCCC(C)C)CC4)(C)CC5)(C)C | | InChi: | InChI=1S/C33H54O/c1-22(2)9-8-10-23(3)25-16-20-33(21-24-11-12-24)27-13-14-28-30(4,5)29(34)17-18-31(28,6)26(27)15-19-32(25,33)7/h13,21-23,25-26,28-29,34H,8-12,14-20H2,1-7H3/t23-,25-,26-,28-,29+,31-,32-,33-/m1/s1 | | 定義日: | 2010-11-03 | | 最終更新日: | 2011-11-25 | | 識別子（ID）: | (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol |
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 | | H6P | | 表記: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate | | 組成式: | C5 H12 O8 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCC=C(/C)CO)O | | InChi: | InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+ | | 定義日: | 2011-07-22 | | 最終更新日: | 2011-11-25 | | 識別子（ID）: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate |
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 | | BPB | | 表記: | BACTERIOPHEOPHYTIN B | | 組成式: | C55 H74 N4 O6 | | SMILES: | O=C(OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)/C(=C/C)C5C)C)C6C | | InChi: | InChI=1S/C55H74N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h13,25,27-32,34-35,40,51,57,59H,14-24,26H2,1-12H3/b33-25+,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,40+,51-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-11-17 | | 識別子（ID）: | methyl (3S,4S,13R,14E,21R)-9-acetyl-14-ethylidene-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylate |
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 | | LX8 | | 表記: | 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate | | 組成式: | C21 H24 O5 | | SMILES: | O=C(OC(C)(C)C3Oc2cc1OC(=O)C(=Cc1cc2C3)C(/C=C)(C)C)C | | InChi: | InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3/t18-/m0/s1 | | 定義日: | 2010-11-11 | | 最終更新日: | 2011-11-11 | | 識別子（ID）: | 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate |
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 | | VNR | | 表記: | 1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | | 組成式: | C23 H35 N4 O16 P3 | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(c(cc12)C)C)CC(=C/C)/CCOP(=O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C23H35N4O16P3/c1-4-14(5-6-41-46(39,40)43-45(36,37)38)9-23-20(24-22(32)25-21(23)31)27(16-8-13(3)12(2)7-15(16)26-23)10-17(28)19(30)18(29)11-42-44(33,34)35/h4,7-8,17-19,26,28-30H,5-6,9-11H2,1-3H3,(H,39,40)(H,25,31,32)(H2,33,34,35)(H2,36,37,38)/b14-4+/t17-,18+,19-,23+/m0/s1 | | 定義日: | 2011-06-15 | | 最終更新日: | 2011-10-28 | | 識別子（ID）: | 1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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 | | ERA | | 表記: | (7Z,15E,17E)-N-[(2S,3S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide | | 組成式: | C41 H75 N O3 | | SMILES: | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCC=C/CCCCCCC=CC=CCCCCC | | InChi: | InChI=1S/C41H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,15,17,25,27,34,36,39-40,43-44H,3-10,12,14,16,18-24,26,28-33,35,37-38H2,1-2H3,(H,42,45)/b13-11+,17-15+,27-25-,36-34+/t39-,40-/m0/s1 | | 定義日: | 2011-04-04 | | 最終更新日: | 2011-10-07 | | 識別子（ID）: | (7Z,15E,17E)-N-[(2S,3S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide |
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 | | 6PP | | 表記: | 3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol | | 組成式: | C12 H16 O2 | | SMILES: | Oc1c(cccc1O)C/C=C(/C)CC | | InChi: | InChI=1S/C12H16O2/c1-3-9(2)7-8-10-5-4-6-11(13)12(10)14/h4-7,13-14H,3,8H2,1-2H3/b9-7- | | 定義日: | 2011-09-21 | | 最終更新日: | 2011-10-07 | | 識別子（ID）: | 3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol |
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 | | 3GD | | 表記: | N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide | | 組成式: | C52 H99 N O13 | | SMILES: | O=C(NC(COC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52-/m0/s1 | | 定義日: | 2011-08-21 | | 最終更新日: | 2011-09-30 | | 識別子（ID）: | N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide |
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 | | CB8 | | 表記: | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE | | 組成式: | C21 H20 O6 S2 | | SMILES: | O[CH]1C[C](O)(C(O)=O)C(=C(OCc2sc3ccccc3c2)[CH]1O)Cc4sccc4 | | InChi: | InChI=1S/C21H20O6S2/c22-16-10-21(26,20(24)25)15(9-13-5-3-7-28-13)19(18(16)23)27-11-14-8-12-4-1-2-6-17(12)29-14/h1-8,16,18,22-23,26H,9-11H2,(H,24,25)/t16-,18+,21-/m1/s1 | | 定義日: | 2011-01-28 | | 最終更新日: | 2011-08-12 | | 識別子（ID）: | (1R,4S,5R)-3-(1-benzothiophen-2-ylmethoxy)-1,4,5-trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-ene-1-carboxylic acid |
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 | | 3RN | | 表記: | 2-(hydroxymethyl)cyclopent-2-en-1-one | | 組成式: | C6 H8 O2 | | SMILES: | O=C1C(=CCC1)CO | | InChi: | InChI=1S/C6H8O2/c7-4-5-2-1-3-6(5)8/h2,7H,1,3-4H2 | | 定義日: | 2011-05-02 | | 最終更新日: | 2011-07-29 | | 識別子（ID）: | 2-(hydroxymethyl)cyclopent-2-en-1-one |
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