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CHEBI:77946 - anthocyanidin 3-O-sophoroside betaine

ChEBI IDCHEBI:77946
ChEBI Nameanthocyanidin 3-O-sophoroside betaine
Stars
ASCII Nameanthocyanidin 3-O-sophoroside betaine
DefinitionAn oxonium betaine obtained by deprotonation of the 5-hydroxy group of any anthocyanidin 3-O-sophoroside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 June 2014
SubmitterKAX
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([O-])c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[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-sophoroside betaine (CHEBI:77946) is a oxonium betaine (CHEBI:51978)
anthocyanidin 3-O-sophoroside betaine (CHEBI:77946) is conjugate base of anthocyanidin 3-O-sophoroside (CHEBI:71509)
Incoming Relation(s)
anthocyanidin 3-O-sophoroside (CHEBI:71509) is conjugate acid of anthocyanidin 3-O-sophoroside betaine (CHEBI:77946)
UniProt Name  Source
an anthocyanidin 3-O-sophorosideUniProt