Quercetin 3-O-malonylglucoside

Molecular Formula: C24H22O15


InChI: InChI=1/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1/f/h29H

InChIKey: InChIKey=NBQPHANHNTWDML-VWDYAOLWDL
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O

Names:
    C12638
    Quercetin 3-O-malonylglucoside
    Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
    Quercetin-3-O-(6''-malonylglucoside)
    3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-3-oxo-propanoic acid
    96862-01-0

Registries:
    PubChem CID 5282159
    PubChem ID 583028