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Cyanidin 3-arabinoside

C20H19ClO10 454.8 g/mol
O H O O H O O H O + H O H O H O O H
Name Cyanidin 3-arabinoside
Alternative name Cyanidin 3-arabinoside
Formula C20H19ClO10
Formula Weight 454.80 g/mol
Molecular Weight 454.80 g/mol
Monoisotopic Mass 454.067000 g/mol
InChI Key ORTBMTXABUAMJS-HAHUOHMJSA-N
IUPAC (2S,3R,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
InChI InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17-,18+,20-/m0/s1
SMILES OC[C@@H]1O[C@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O
Food Berry
Food Source Blueberry
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Coumarin metabolite
CASNO 111613-04-8
HMDB HMDB0037972
PubChem 91810602
KEGG C05905
FooDB FDB017148
DrugBank DB01904
ChEBI 27843
BioCyc CPD-591
METLIN 5221.0