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Cyanidin-3-o-glucuronide

C21H21O11+ 449.4 g/mol
O H O O H O O H O + H O H O H O O H O H
Name Cyanidin-3-o-glucuronide
Alternative name Cyanidin-glucuronide; Kuromanin
Formula C21H21O11+
Formula Weight 498.40 g/mol
Molecular Weight 449.40 g/mol
Monoisotopic Mass 449.108000 g/mol
InChI Key RKWHWFONKJEUEF-GQUPQBGVSA-O
IUPAC (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI 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
SMILES OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Food Citrus, 
Food Source Orange, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Anthocyanin metabolite
CASNO 47705-70-4
HMDB HMDB0030684
PubChem 441667
KEGG C08604
FooDB FDB002603
DrugBank DB01904
ChEBI 28426
BioCyc CPD1F-766
METLIN 5221.0