cyanidin-3-O-β-D-glucoside

Chemical Formula:

C₂₁H₁₉O₁₁

Molecular Weight:

447.374 Daltons

Monoisotopic Mass:

449.10838651719996 Daltons

SMILES:

C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(=CC=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))

InChI:

1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p-1/t16-,17-,18+,19-,21-/m1/s1

InChIKey:

RKWHWFONKJEUEF-GQUPQBGVSA-M

Synonyms

cyanidin-3-O-glucoside
Chrysanthemin
Kuromanin

Databases

MetaCyc: CPD1F-766

ChEBI: 77857 28426

PubChem (CID): 86289383

HMDB: HMDB30684

LIPID MAPS: LMPK12010110

KEGG: C08604

NIKKAJI: J231.541F

KNApSAcK: C00042427 C00002374

CHEMBL: CHEMBL257839

PupChem (SID): 10797

CAS: 7084-24-4

Seed: cpd05511

MetaNetX: MNXM1146