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Malvidin hexoside

C23H25O12+ 493.4 g/mol
O O H O O + O H O H O O O H O H O H H O
Name Malvidin hexoside
Alternative name Malvidin 3-O-beta-D-galactopyranoside
Formula C23H25O12+
Formula Weight 493.40 g/mol
Molecular Weight 493.40 g/mol
Monoisotopic Mass 493.135000 g/mol
InChI Key PXUQTDZNOHRWLI-UHFFFAOYSA-O
IUPAC 2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1
SMILES COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Food Berry
Food Source Blueberry
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Anthocyanin metabolite
CASNO No CAS
HMDB HMDB0030777
PubChem 3568969
KEGG C12140
FooDB FDB002714
DrugBank DB01904
ChEBI 31799
BioCyc CPD1F-766
METLIN 3462.0