CHEBI:77641 - anthocyanidin 3,5-diglucoside betaine

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ChEBI Name anthocyanidin 3,5-diglucoside betaine
ChEBI ID CHEBI:77641
Definition The oxonium betaine of anthocyanidin 3,5-diglucoside arising from selective deprotonation of the 7-hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Download Molfile XML SDF
Formula C27H28O15R2
Net Charge 0
Average Mass (excl. R groups) 592.503
Monoisotopic Mass (excl. R groups) 592.14282
SMILES OC[C@H]1OC(Oc2cc3c(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])cc3[o+]c2-c2cc([*])c(O)c([*])c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing 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 anthocyanidin 3,5-diglucoside (CHEBI:15764) is conjugate acid of anthocyanidin 3,5-diglucoside betaine (CHEBI:77641)
Last Modified
05 September 2019