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Cyanidin 4'-glucoside

C21H21O11+ 449.4 g/mol
O H O O H O H O O H O H O + H O H O H O
Name Cyanidin 4'-glucoside
Alternative name Cyanidin 3-malonylglucoside
Formula C21H21O11+
Formula Weight 449.40 g/mol
Molecular Weight 449.40 g/mol
Monoisotopic Mass 449.108000 g/mol
InChI Key CSNMEDJMOXSNRZ-UHFFFAOYSA-O
IUPAC 2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3,5,7-triol
InChI InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1
SMILES OCC1OC(OC2=C(O)C=C(C=C2)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O
Food Onion, 
Food Source Onion, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Coumarin metabolite
CASNO 27459-77-4 or 802884-14-6
HMDB HMDB0037990
PubChem 73981555
KEGG C08604
FooDB FDB017181
DrugBank DB01904
ChEBI 28426
BioCyc CPD1F-766
METLIN 5221.0