pelargonidin-3-O-(6"-O-malonyl-β-D-glucoside)
O-malonyl-β-D-glucoside)" height="280 px">
Chemical Formula:
C24H21O13
Molecular Weight:
517.422 Daltons
Monoisotopic Mass:
519.1138658256 Daltons
SMILES:
C(OC(CC(=O)[O-])=O)C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(C=CC(=CC=3)O))=4)O)[O-])))
InChI:
1S/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
InChIKey:
Databases
MetaCyc:
CPD-7149
PubChem (CID):
90658189
ChEBI:
31965
KEGG:
C12642
Seed:
cpd09273
MetaNetX:
MNXM6373