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CHEBI:77944 - anthocyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside betaine

ChEBI IDCHEBI:77944
ChEBI Nameanthocyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside betaine
Stars
ASCII Nameanthocyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside betaine
DefinitionAn oxonium betaine obtained by deprotonation of the 7-hydroxy group of any anthocyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC32H36O19R2
Net Charge0
Average Mass (excl. R groups)724.618
Monoisotopic Mass (excl. R groups)724.18508
SMILES*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[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc(*)c1O
ChEBI Ontology
Outgoing Relation(s)
anthocyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside betaine (CHEBI:77944) is a oxonium betaine (CHEBI:51978)
anthocyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside betaine (CHEBI:77944) is conjugate base of anthocyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside (CHEBI:71507)
Incoming Relation(s)
anthocyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside (CHEBI:71507) is conjugate acid of anthocyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside betaine (CHEBI:77944)
UniProt Name  Source
an anthocyanidin 5-O-β-D-glucoside 3-O-β-D-sambubiosideUniProt