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Cyanidin-3-galactoside

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-galactoside
Alternative name Cyanidin-3,5-di-O-glucoside; cyanin chloride
Formula C21H21O11+
Formula Weight 449.40 g/mol
Molecular Weight 449.40 g/mol
Monoisotopic Mass 449.108000 g/mol
InChI Key RKWHWFONKJEUEF-UHFFFAOYSA-O
IUPAC 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 Grains, 
Food Source Wheat, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Coumarin metabolite
CASNO 27661-36-5
HMDB HMDB0037977
PubChem 4481259
KEGG C08647
FooDB FDB017159
DrugBank DB01904
ChEBI 27475
BioCyc CPD1F-766
METLIN 5221.0