小分子和化合物库

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  1. 银杏内酯B
    CAS号 : 15291-77-7        Compound CID : 65243
    分子式: C20H24O10        分子量: 424.4
    IUPAC Name: 8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
    SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
    InChIKey: SQOJOAFXDQDRGF-UHFFFAOYSA-N
    InChI: InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3
  2. 托烷司琼
    CAS号 : 89565-68-4        Compound CID : 656665
    分子式: C17H20N2O2        分子量: 284.35
    IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
    SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43
    InChIKey: ZNRGQMMCGHDTEI-FUNVUKJBSA-N
    InChI: InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?
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