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CHEBI:75689 - malvidin 3-O-(6-O-acetyl-β-D-glucoside)

ChEBI IDCHEBI:75689
ChEBI Namemalvidin 3-O-(6-O-acetyl-β-D-glucoside)
Stars
ASCII Namemalvidin 3-O-(6-O-acetyl-beta-D-glucoside)
DefinitionAn anthocyanin cation that is malvidin substituted at position 3 by a 6-O-acetyl-β-D-glucosyl residue.
Last Modified25 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC25H27O13
Net Charge+1
Average Mass535.478
Monoisotopic Mass535.14462
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
InChIInChI=1S/C25H26O13/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29)/p+1/t19-,21-,22+,23-,25-/m1/s1
InChIKeyWGYWEDJQQFKGID-FGBFUVBKSA-O
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
malvidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:75689) has functional parent malvidin (CHEBI:6674)
malvidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:75689) has role metabolite (CHEBI:25212)
malvidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:75689) is a anthocyanin cation (CHEBI:35218)
malvidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:75689) is a aromatic ether (CHEBI:35618)
malvidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:75689) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl 6-O-acetyl-β-D-glucopyranoside
Synonym  Source
Malvidin 3-(6''-acetylglucoside)LIPID MAPS
Manual XrefsDatabases
LMPK12010381LIPID MAPS
Registry NumbersSources
Reaxys:7402248Reaxys