| ID1 | 表記: | Imipenem | 組成式: | C12 H19 N3 O4 S | SMILES: | C[CH](O)[CH](C=O)[CH]1C[CH](SCCN=CN)C(=N1)C(O)=O | InChi: | InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-10,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-,10-/m1/s1 | 定義日: | 2015-11-14 | 最終更新日: | 2024-09-27 | 公開日: | 2016-09-21 | 識別子(ID): | (2~{R},4~{R})-4-[2-[(~{Z})-azanylmethylideneamino]ethylsulfanyl]-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
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| 6IW | 表記: | (2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid | 組成式: | C6 H11 N O3 | SMILES: | CN1C[CH](O)C[CH]1C(O)=O | InChi: | InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1 | 定義日: | 2023-02-16 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | (2~{S},4~{S})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid |
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| 6EL | 表記: | 2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione | 組成式: | C13 H10 N2 O4 | SMILES: | O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1 | InChi: | InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1 | 定義日: | 2016-05-11 | 最終更新日: | 2018-02-02 | 公開日: | 2018-02-07 | 識別子(ID): | 2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione |
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| EF2 | 表記: | S-Thalidomide | 組成式: | C13 H10 N2 O4 | SMILES: | O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O | InChi: | InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1 | 定義日: | 2013-12-05 | 最終更新日: | 2014-09-05 | 公開日: | 2014-07-16 | 識別子(ID): | 2-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione |
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| LF0 | 表記: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid | 組成式: | C25 H27 N O4 | SMILES: | O=C(O)C(OC(C)(C)C)c4c(nc1c(cccc1)c4c3ccc2OCCCc2c3)C | InChi: | InChI=1S/C25H27NO4/c1-15-21(23(24(27)28)30-25(2,3)4)22(18-9-5-6-10-19(18)26-15)17-11-12-20-16(14-17)8-7-13-29-20/h5-6,9-12,14,23H,7-8,13H2,1-4H3,(H,27,28)/t23-/m0/s1 | 定義日: | 2012-12-21 | 最終更新日: | 2013-04-26 | 公開日: | 2013-05-01 | 識別子(ID): | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid |
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| UNU | 表記: | BENZAMIDE | 組成式: | C7 H7 N O | SMILES: | O=C(N)c1ccccc1 | InChi: | InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) | 定義日: | 2007-04-20 | 最終更新日: | 2011-06-04 | 識別子(ID): | benzamide |
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| URI | 表記: | URIDINE | 組成式: | C9 H12 N2 O6 | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO | InChi: | InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 | 定義日: | 2001-03-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | uridine |
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