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CHEBI:57503 - anthocyanidin 3,5-di-O-β-D-glucoside betaine

ChEBI IDCHEBI:57503
ChEBI Nameanthocyanidin 3,5-di-O-β-D-glucoside betaine
Stars
ASCII Nameanthocyanidin 3,5-di-O-beta-D-glucoside betaine
DefinitionThe oxonium betaine of anthocyanidin 3,5-di-O-β-D-glucoside arising from selective deprotonation of the 7-hydroxy group.
Last Modified17 April 2014
DownloadsMolfile
FormulaC27H28O15R2
Net Charge0
Average Mass (excl. R groups)592.503
Monoisotopic Mass (excl. R groups)592.14282
SMILES[*:0]c1cc(-c2[o+]c3cc([O-])cc(O[C@@H]4O[C@H](CO)[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([*:0])c1O
ChEBI Ontology
Outgoing Relation(s)
anthocyanidin 3,5-di-O-β-D-glucoside betaine (CHEBI:57503) is a oxonium betaine (CHEBI:51978)
anthocyanidin 3,5-di-O-β-D-glucoside betaine (CHEBI:57503) is conjugate base of anthocyanidin 3,5-di-O-β-D-glucoside (CHEBI:71510)
Incoming Relation(s)
anthocyanidin 3,5-di-O-β-D-glucoside (CHEBI:71510) is conjugate acid of anthocyanidin 3,5-di-O-β-D-glucoside betaine (CHEBI:57503)
UniProt Name  Source
an anthocyanidin 3,5-di-O-β-D-glucosideUniProt