 | | QX | | 表記: | QUINOXALINE-2-CARBOXYLIC ACID | | 組成式: | C9 H6 N2 O2 | | SMILES: | O=C(O)c1nc2ccccc2nc1 | | InChi: | InChI=1/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)/f/h12H | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | quinoxaline-2-carboxylic acid |
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 | | RDP | | 表記: | ALPHA-D-RIBOSE-1-PHOSPHATE | | 組成式: | C5 H11 O8 P | | SMILES: | O=P(OC1OC(C(O)C1O)CO)(O)O | | InChi: | InChI=1/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1/f/h9-10H | | 定義日: | 2003-12-19 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | 1-O-phosphono-alpha-D-ribofuranose |
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 | | NAH | | 表記: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 組成式: | C21 H27 N7 O14 P2 | | SMILES: | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/f/h36H,22-23H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
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 | | NC2 | | 表記: | NITROCEFIN ACYL-SERINE | | 組成式: | C24 H23 N5 O11 S2 | | SMILES: | O=C(O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)C=Cc3ccc([N+]([O-])=O)cc3[N+]([O-])=O | | InChi: | InChI=1/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/b4-3+/t16-,20-,21+/m0/s1/f/h26,31,33H | | 定義日: | 2004-12-16 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | (2R)-2-{(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | 119 | | 表記: | TETRAPHENYLPHOSPHONIUM ION | | 組成式: | C24 H20 P | | SMILES: | c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 | | InChi: | InChI=1/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1 | | 定義日: | 2000-05-09 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | tetraphenylphosphonium |
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 | | 13H | | 表記: | (9Z,11E,13S)-13-HYDROXYOCTADECA-9,11-DIENOIC ACID | | 組成式: | C18 H32 O3 | | SMILES: | O=C(O)CCCCCCC/C=CC=CC(O)CCCCC | | InChi: | InChI=1/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1/f/h20H | | 定義日: | 2008-04-29 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid |
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 | | 345 | | 表記: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-4-METHYL-TETRAHYDRO-PYRAN;COMPOUND WITH N-HYDROXY-ACETAMIDE | | 組成式: | C19 H20 Cl N O6 S | | SMILES: | O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3 | | InChi: | InChI=1/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)/f/h21H | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | 2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide |
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 | | BAR | | 表記: | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID | | 組成式: | C10 H12 O6 | | SMILES: | O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2 | | InChi: | InChI=1/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1/f/h12,14H | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | (1R,3S,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid |
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 | | BDN | | 表記: | BENZAMIDINE | | 組成式: | C7 H8 N2 | | SMILES: | [N@H]=C(N)c1ccccc1 | | InChi: | InChI=1/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/f/h8H,9H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | benzenecarboximidamide |
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 | | LLA | | 表記: | L-2-HYDROXY-3-PHENYL-PROPIONIC ACID | | 組成式: | C9 H10 O3 | | SMILES: | O=C(O)C(O)Cc1ccccc1 | | InChi: | InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1/f/h11H | | 定義日: | 1999-07-27 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | (2S)-2-hydroxy-3-phenylpropanoic acid |
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 | | LOF | | 表記: | 3-PHENYL-LACTIC ACID | | 組成式: | C9 H10 O3 | | SMILES: | O=C(O)C(O)Cc1ccccc1 | | InChi: | InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1/f/h11H | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | (2S)-2-hydroxy-3-phenylpropanoic acid |
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 | | 1NA | | 表記: | N-ACETYL-O-METHYL-D-GLUCOSAMINE | | 組成式: | C9 H17 N O6 | | SMILES: | O=C(NC1C(O)C(O)C(OC1OC)CO)C | | InChi: | InChI=1/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1/f/h10H | | 別名: | 1NA | | 定義日: | 2000-10-20 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside |
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 | | 1PY | | 表記: | 2-OXO-3-PHENYLPROPIONIC ACID | | 組成式: | C9 H8 O3 | | SMILES: | O=C(C(=O)O)Cc1ccccc1 | | InChi: | InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/f/h11H | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | 2-oxo-3-phenylpropanoic acid |
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 | | MAM | | 表記: | 1-O-METHYL-ALPHA-D-MANNOSE | | 組成式: | C7 H14 O6 | | SMILES: | OC1C(O)C(O)C(OC1OC)CO | | InChi: | InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1 | | 定義日: | 2002-01-30 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | methyl alpha-D-mannopyranoside |
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 | | MDG | | 表記: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE | | 組成式: | C11 H19 N5 O11 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O | | InChi: | InChI=1/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1/f/h14,20-21,23H,12H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | 7-methylguanosine 5'-(trihydrogen diphosphate) |
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 | | MFA | | 表記: | ALPHA-L-1-METHYL-FUCOSE | | 組成式: | C7 H14 O5 | | SMILES: | OC1C(O)C(O)C(OC1OC)C | | InChi: | InChI=1/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1 | | 定義日: | 2002-02-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | methyl 6-deoxy-alpha-L-galactopyranoside |
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 | | AC4 | | 表記: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE | | 組成式: | C9 H15 N4 O8 P | | SMILES: | O=C(c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O)N | | InChi: | InChI=1/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1/f/h17-18H,11H2 | | 別名: | AICAR | | 定義日: | 2002-08-14 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide |
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 | | MGA | | 表記: | BETA-METHYL-D-GALACTOSIDE | | 組成式: | C7 H14 O6 | | SMILES: | OC1C(O)C(O)C(OC1OC)CO | | InChi: | InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | methyl beta-D-galactopyranoside |
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 | | MOL | | 表記: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE | | 組成式: | C15 H19 N3 O2 | | SMILES: | O=CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3 | | InChi: | InChI=1/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | (1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde |
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 | | 638 | | 表記: | [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] | | 組成式: | C41 H38 N6 O5 S2 | | SMILES: | O=C(c1cccc(c1)CN5C(=O)N(Cc3cc(C(=O)Nc2nccs2)ccc3)C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Nc7nccs7 | | InChi: | InChI=1/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1/f/h44-45H | | 別名: | XV638 | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | 3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1,3-thiazol-2-ylbenzamide) |
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 | | 6AB | | 表記: | 6-AMINOBENZOIC ACID | | 組成式: | C7 H7 N O2 | | SMILES: | O=C(O)c1ccccc1N | | InChi: | InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/f/h9H | | 定義日: | 1999-07-19 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | 2-aminobenzoic acid |
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 | | CMN | | 表記: | (1R,2R,3S,6R)-6-AMINO-4-(HYDROXYMETHYL)CYCLOHEX-4-ENE-1,2,3-TRIOL | | 組成式: | C7 H13 N O4 | | SMILES: | OC1C(=CC(N)C(O)C1O)CO | | InChi: | InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1 | | 定義日: | 2000-06-30 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol |
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 | | CN | | 表記: | CYANIDE | | 組成式: | C H N | | SMILES: | N#C | | InChi: | InChI=1/CHN/c1-2/h1H | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | hydrocyanic acid |
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 | | CPG | | 表記: | GUANOSINE-5'-PHOSPHATE | | 組成式: | C10 H14 N5 O8 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O | | InChi: | InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1/f/h14,19-20H,11H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | 5'-guanylic acid |
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 | | BZO | | 表記: | CARBOBENZOXY GROUP | | 組成式: | C8 H8 O2 | | SMILES: | O=COCc1ccccc1 | | InChi: | InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | benzyl formate |
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