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CHEBI:193099 - pelargonidin 3-O-β-D-galactoside betaine

ChEBI IDCHEBI:193099
ChEBI Namepelargonidin 3-O-β-D-galactoside betaine
Stars
ASCII Namepelargonidin 3-O-beta-D-galactoside betaine
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H20O10
Net Charge0
Average Mass432.381
Monoisotopic Mass432.10565
SMILES[O-]c1cc(O)cc2[o+]c(-c3ccc(O)cc3)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc12
InChIInChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/t16-,17+,18+,19-,21-/m1/s1
InChIKeyABVCUBUIXWJYSE-WVXKDWSHSA-N
ChEBI Ontology
Outgoing Relation(s)
pelargonidin 3-O-β-D-galactoside betaine (CHEBI:193099) has functional parent pelargonidin(1−) (CHEBI:144777)
pelargonidin 3-O-β-D-galactoside betaine (CHEBI:193099) is a oxonium betaine (CHEBI:51978)
UniProt Name  Source
pelargonidin 3-O-β-D-galactoside betaineUniProt
Citations