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Cyanidn 3-(malonyl)(acetyl)glucoside

C36H37O18 757.67 g/mol
O H O O H O O H O + H O H O H O O H
Name Cyanidn 3-(malonyl)(acetyl)glucoside
Alternative name Cyanidin-3-O-glucuronide
Formula C36H37O18
Formula Weight 757.67 g/mol
Molecular Weight 757.67 g/mol
Monoisotopic Mass 757.198000 g/mol
InChI Key ZVTDPGYQESCLRY-ZKWAOETCSA-N
IUPAC (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;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-/m1/s1
SMILES [H][C@]1(CO)O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]1([H])O
Food Onion, 
Food Source Onion, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Anthocyanin metabolite
CASNO No CAS
HMDB HMDB0037984
PubChem 71315020
KEGG C08604
FooDB FDB017173
DrugBank DB01904
ChEBI 28426
BioCyc CPD1F-766
METLIN 5221.0