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MalvidinĀ p-coumaroyldiglucoside

C38H41O19 801.72 g/mol
O O H O O + O H O H O O O H O H O H H O
Name MalvidinĀ p-coumaroyldiglucoside
Alternative name Malvidin 3-O-beta-D-galactopyranoside
Formula C38H41O19
Formula Weight 801.72 g/mol
Molecular Weight 801.72 g/mol
Monoisotopic Mass 801.224000 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 Grape
Food Source Grape
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