pelargonidin-3-O-β-D-glucoside

Chemical Formula:

C₂₁H₁₉O₁₀

Molecular Weight:

431.375 Daltons

Monoisotopic Mass:

433.1134718951 Daltons

SMILES:

C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))

InChI:

1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p-1/t16-,17-,18+,19-,21-/m1/s1

InChIKey:

ABVCUBUIXWJYSE-GQUPQBGVSA-M

Synonyms

callistephin
3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride

Databases

MetaCyc: PELARGONIDIN-3-GLUCOSIDE-CMPD

PubChem (CID): 102515300

MetaboLights: MTBLC31967

KEGG: C12137

ChEBI: 31967

Seed: cpd08919

MetaNetX: MNXM1584

NIKKAJI: J243.772D

KNApSAcK: C00006630

PupChem (SID): 14284