apigenin 7-O-(6-malonyl-β-D-glucoside)

Chemical Formula:

C₂₄H₂₁O₁₃

Molecular Weight:

517.422 Daltons

Monoisotopic Mass:

518.1060407935 Daltons

SMILES:

C(OC(CC([O-])=O)=O)C4(OC(OC1(C=C(O)C2(C(=O)C=C(OC(C=1)=2)C3(=CC=C(O)C=C3))))C(O)C(O)C(O)4)

InChI:

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

InChIKey:

JXWAQRJFONLTSI-ASDZUOGYSA-M

Synonyms

apigenin 7-O-(6-malonyl-β-D-glucoside)

Databases

MetaCyc: CPD-10318

PubChem (CID): 25202906

KEGG: C10020

Seed: cpd06910

MetaNetX: MNXM8315