peonidin-3-O-β-D-glucoside

Chemical Formula:

C₂₂H₂₁O₁₁

Molecular Weight:

461.401 Daltons

Monoisotopic Mass:

463.1240365814 Daltons

SMILES:

COC1(=C(O)C=CC(=C1)C3(=[O+]C4(=C(C=C(OC2(C(O)C(O)C(O)C(CO)O2))3)C([O-])=CC([O-])=C4)))

InChI:

1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p-1/t17-,18-,19+,20-,22-/m1/s1

InChIKey:

ZZWPMFROUHHAKY-OUUKCGNVSA-M

Databases

MetaCyc: CPD-19094

PubChem (CID): 122706400

Seed: cpd08923

HMDB: HMDB13689

MetaNetX: MNXM12604

KEGG: C12141