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CHEBI:144773 - anthocyanidin 3-O-β-D-glucoside 5-O-β-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine

Default Structure
ChEBI IDCHEBI:144773
ChEBI Nameanthocyanidin 3-O-β-D-glucoside 5-O-β-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine
Stars
ASCII Nameanthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine
DefinitionAn oxonium betaine obtained by deprotonation of the 7-hydroxy group of anthocyanidin 3-O-β-D-glucoside 5-O-β-D-[(6-O-4-hydroxycinnamoyl)glucoside]. It is the major microspecies at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC36H34O17R2
Net Charge0
Average Mass (excl. R groups)738.646
Monoisotopic Mass (excl. R groups)738.17960
SMILES*c1cc(-c2[o+]c3cc([O-])cc(OC4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(*)c1O
ChEBI Ontology
Outgoing Relation(s)
anthocyanidin 3-O-β-D-glucoside 5-O-β-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine (CHEBI:144773) is a 4-unsubstituted 3-hydroxyanthocyanidin betaine (CHEBI:138177)
anthocyanidin 3-O-β-D-glucoside 5-O-β-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine (CHEBI:144773) is a anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine (CHEBI:77943)
UniProt Name  Source
an anthocyanidin 3-O-β-D-glucoside 5-O-β-D-[(6-O-(E)-4-coumaroyl)glucoside]UniProt