小分子和化合物库

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  1. D(-)-水杨苷
    CAS号 : 138-52-3        Compound CID : 439503
    分子式: C13H18O7        分子量: 286.28
    IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
    SMILES: C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
    InChIKey: NGFMICBWJRZIBI-UJPOAAIJSA-N
    InChI: InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
  2. D(-)-水杨苷
    CAS号 : 138-52-3        Compound CID : 439503
    分子式: C13H18O7        分子量: 286.28
    IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
    SMILES: C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
    InChIKey: NGFMICBWJRZIBI-UJPOAAIJSA-N
    InChI: InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
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