Biochanin A 7-O-beta-D-glucoside 6''-O-malonate

Molecular Formula: C25H24O13


InChI: InChI=1/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1/f/h27H

InChIKey: InChIKey=VRCBYTZZZFFKEN-GVZUUFSYDZ
SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O

Names:
    Biochanin A 7-O-beta-D-glucoside 6''-O-malonate
    Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)
    C12625
    3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-chromen-7-yl]oxy-oxan-2-yl]methoxy]propanoic acid
    34232-17-2

Registries:
    PubChem CID 5282148
    PubChem ID 583015