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Delphinidin 3-galactoside

C21H21ClO12 500.8 g/mol
H O O O O H O H O + H O H O O H O H O H
Name Delphinidin 3-galactoside
Alternative name Delphinidin-3-O-galactoside chloride
Formula C21H21ClO12
Formula Weight 500.80 g/mol
Molecular Weight 500.80 g/mol
Monoisotopic Mass 500.072000 g/mol
InChI Key ZJWIIMLSNZOCBP-KGDMUXNNSA-N
IUPAC (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
InChI InChI=1S/C20H18O11/c21-6-15-17(27)18(28)20(31-15)30-14-5-9-10(23)3-8(22)4-13(9)29-19(14)7-1-11(24)16(26)12(25)2-7/h1-5,15,17-18,20-21,27-28H,6H2,(H4-,22,23,24,25,26)/p+1/t15-,17+,18-,20+/m0/s1
SMILES OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[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 28500-00-7
HMDB HMDB0037998
PubChem 176440
KEGG C08604
FooDB FDB017192
DrugBank DB01904
ChEBI 28426
BioCyc CPD1F-766
METLIN 5221.0