Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)

Molecular Formula: C24H23O13+


InChI: InChI=1/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/p+1/t17-,20-,21+,22-,24-/m1/s1/fC24H23O13/h25-28H/q+1

InChIKey: InChIKey=XLZUBCUKXQFBKB-PTFWKGEKDD
SMILES: C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O

Names:
    C12642
    Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
    165070-68-8
    3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-3-oxo-propanoic acid

Registries:
    PubChem CID 443913
    PubChem ID 583032