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  1. 槲皮素,二水
    CAS号: 6151-25-3        EC号: 204-187-1        Compound CID : 5284452
    分子式: C15H10O7·2H2O        分子量: 338.27
    IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate
    SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O
    InChIKey: GMGIWEZSKCNYSW-UHFFFAOYSA-N
    InChI: 1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2
  2. 达那唑
    CAS号: 17230-88-5        EC号: MFCD00056838
    分子式: C22H27NO2        分子量: 337.46
    IUPAC Name: (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
    SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5
    InChIKey: POZRVZJJTULAOH-LHZXLZLDSA-N
    InChI: 1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
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