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CHEBI:77641 - anthocyanidin 3,5-diglucoside betaine

ChEBI IDCHEBI:77641
ChEBI Nameanthocyanidin 3,5-diglucoside betaine
Stars
DefinitionThe oxonium betaine of anthocyanidin 3,5-diglucoside arising from selective deprotonation of the 7-hydroxy group.
Last Modified5 September 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H28O15R2
Net Charge0
Average Mass (excl. R groups)592.503
Monoisotopic Mass (excl. R groups)592.14282
SMILES*c1cc(-c2[o+]c3cc([O-])cc(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(*)c1O
ChEBI Ontology
Outgoing Relation(s)
anthocyanidin 3,5-diglucoside betaine (CHEBI:77641) is a oxonium betaine (CHEBI:51978)
anthocyanidin 3,5-diglucoside betaine (CHEBI:77641) is conjugate base of anthocyanidin 3,5-diglucoside (CHEBI:15764)
Incoming Relation(s)
anthocyanidin 3,5-diglucoside (CHEBI:15764) is conjugate acid of anthocyanidin 3,5-diglucoside betaine (CHEBI:77641)