 | | 4FA | | 表記: | 4-FLUOROPHENETHYL ALCOHOL | | 組成式: | C8 H9 F O | | SMILES: | Fc1ccc(cc1)CCO | | InChi: | InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2 | | 定義日: | 2003-04-01 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2-(4-fluorophenyl)ethanol |
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 | | BFC | | 表記: | (R)-3-HYDROXYTETRADECANAL | | 組成式: | C14 H28 O2 | | SMILES: | O=CCC(O)CCCCCCCCCCC | | InChi: | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13-14,16H,2-12H2,1H3/t14-/m1/s1 | | 定義日: | 2006-11-02 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (3R)-3-hydroxytetradecanal |
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 | | BMU | | 表記: | 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA | | 組成式: | C15 H19 Cl N4 O | | SMILES: | O=C(Nc1cc(nn1C)C(C)(C)C)Nc2ccc(Cl)cc2 | | InChi: | InChI=1S/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21) | | 定義日: | 2002-02-01 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)urea |
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 | | BPN | | 表記: | PARANITROBENZYL ALCOHOL | | 組成式: | C7 H7 N O3 | | SMILES: | [O-][N+](=O)c1ccc(cc1)CO | | InChi: | InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (4-nitrophenyl)methanol |
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 | | BRB | | 表記: | PARA-BROMOBENZYL ALCOHOL | | 組成式: | C7 H7 Br O | | SMILES: | Brc1ccc(cc1)CO | | InChi: | InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (4-bromophenyl)methanol |
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 | | C45 | | 表記: | N4-METHOXY-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE | | 組成式: | C10 H16 N3 O8 P | | SMILES: | O=C1N=C(NOC)C=CN1C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H16N3O8P/c1-19-12-8-2-3-13(10(15)11-8)9-4-6(14)7(21-9)5-20-22(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1 | | 定義日: | 1993-07-15 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2'-deoxy-N-methoxycytidine 5'-(dihydrogen phosphate) |
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 | | C8D | | 表記: | N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE | | 組成式: | C29 H40 B N4 O8 | | SMILES: | O=C(N3C(C(=O)NC(B([O-])O)CCO)CC(Oc1nccc2c1cccc2)C3)C(NC(=O)OC4CCCC4)C(C)(C)C | | InChi: | InChI=1S/C29H40BN4O8/c1-29(2,3)24(33-28(38)42-19-9-5-6-10-19)27(37)34-17-20(16-22(34)25(36)32-23(13-15-35)30(39)40)41-26-21-11-7-4-8-18(21)12-14-31-26/h4,7-8,11-12,14,19-20,22-24,35,39H,5-6,9-10,13,15-17H2,1-3H3,(H,32,36)(H,33,38)/q-1/t20-,22+,23+,24-/m1/s1 | | 定義日: | 2010-04-23 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-L-prolinamide |
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 | | G33 | | 表記: | 8-METHYL-2'-DEOXYGUANOSINE 3'-MONOPHOSPHATE | | 組成式: | C11 H16 N5 O7 P | | SMILES: | O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)C | | InChi: | InChI=1/C11H16N5O7P/c1-4-13-8-9(14-11(12)15-10(8)18)16(4)7-2-5(17)6(23-7)3-22-24(19,20)21/h5-7,17H,2-3H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1/f/h15,19-20H,12H2 | | 定義日: | 1996-07-11 | | 最終更新日: | 2009-08-25 | | 識別子（ID）: | 2'-deoxy-8-methylguanosine 5'-(dihydrogen phosphate) |
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 | | OCL | | 表記: | COBALT ION, 1 WATER COORDINATED | | 組成式: | Co H2 O | | SMILES: | O|[Co++] | | InChi: | InChI=1/Co.H2O/h | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 |
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 | | OCM | | 表記: | COBALT ION, 3 WATERS COORDINATED | | 組成式: | Co H6 O3 | | SMILES: | O|[Co++](|O)|O | | InChi: | InChI=1/Co.3H2O/h | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 |
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 | | OCN | | 表記: | COBALT ION, 2 WATERS COORDINATED | | 組成式: | Co H4 O2 | | SMILES: | O|[Co++]|O | | InChi: | InChI=1/Co.2H2O/h | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 |
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 | | OCO | | 表記: | COBALT ION,6 WATERS COORDINATED | | 組成式: | Co H12 O6 | | SMILES: | O|[Co+3](|O)(|O)(|O)(|O)|O | | InChi: | InChI=1/Co.6H2O/h | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 |
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 | | CO5 | | 表記: | COBALT ION,5 WATERS COORDINATED | | 組成式: | Co H10 O5 | | SMILES: | O|[Co+3](|O)(|O)(|O)|O | | InChi: | InChI=1/Co.5H2O/h | | 定義日: | 2000-07-27 | | 最終更新日: | 2008-10-14 |
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