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CHEBI:84163 - anthocyanidin 3-O-(6-O-malonyl-β-D-glucoside) betaine

ChEBI IDCHEBI:84163
ChEBI Nameanthocyanidin 3-O-(6-O-malonyl-β-D-glucoside) betaine
Stars
ASCII Nameanthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside) betaine
DefinitionAn oxonium betaine obtained by deprotonation of the carboxy group of any anthocyanidin 3-O-(6-O-malonyl-β-D-glucoside). It is the major microspecies at pH 7.3.
Last Modified27 February 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC24H20O13R2
Net Charge0
Average Mass (excl. R groups)516.409
Monoisotopic Mass (excl. R groups)516.09039
SMILES*c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc(*)c1O
ChEBI Ontology
Outgoing Relation(s)
anthocyanidin 3-O-(6-O-malonyl-β-D-glucoside) betaine (CHEBI:84163) is a oxonium betaine (CHEBI:51978)
anthocyanidin 3-O-(6-O-malonyl-β-D-glucoside) betaine (CHEBI:84163) is conjugate base of anthocyanidin 3-O-(6-O-malonyl-β-D-glucoside) (CHEBI:55410)
Incoming Relation(s)
anthocyanidin 3-O-(6-O-malonyl-β-D-glucoside) (CHEBI:55410) is conjugate acid of anthocyanidin 3-O-(6-O-malonyl-β-D-glucoside) betaine (CHEBI:84163)
UniProt Name  Source
an anthocyanidin 3-O-(6-O-malonyl-β-D-glucoside)UniProt