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Malvidin 3-o-(6 acetyl) glucoside

C25H27O13+ 535.5 g/mol
O O H O H O O H O H O +
Name Malvidin 3-o-(6 acetyl) glucoside
Alternative name malvidin 3-O-(6-O-acetyl-beta-D-glucoside)
Formula C25H27O13+
Formula Weight 535.50 g/mol
Molecular Weight 535.50 g/mol
Monoisotopic Mass 535.145000 g/mol
InChI Key WGYWEDJQQFKGID-FGBFUVBKSA-O
IUPAC [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
InChI InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1
SMILES COC1=CC(=CC(OC)=C1O)C1=C(O)C=C2C(O)=CC(O)=CC2=[O+]1
Food Berry
Food Source Blueberry
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Anthocyanin metabolite
CASNO No CAS
HMDB HMDB0131420
PubChem 72193646
KEGG C08716
FooDB FDB002713
DrugBank DB01904
ChEBI 698299
BioCyc CPD1F-766
METLIN 3462.0