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CHEBI:193100 - malvidin 3-O-β-D-galactoside betaine

ChEBI IDCHEBI:193100
ChEBI Namemalvidin 3-O-β-D-galactoside betaine
Stars
ASCII Namemalvidin 3-O-beta-D-galactoside betaine
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC23H23O12
Net Charge-1
Average Mass491.425
Monoisotopic Mass491.11950
SMILESCOc1cc(-c2[o+]c3cc([O-])cc([O-])c3cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
InChIInChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p-1/t17-,19+,20+,21-,23-/m1/s1
InChIKeyPXUQTDZNOHRWLI-XSEKTIEYSA-M
ChEBI Ontology
Outgoing Relation(s)
malvidin 3-O-β-D-galactoside betaine (CHEBI:193100) has functional parent malvidin(1−) (CHEBI:144781)
malvidin 3-O-β-D-galactoside betaine (CHEBI:193100) is a oxonium betaine (CHEBI:51978)
UniProt Name  Source
malvidin 3-O-β-D-galactosideUniProt
Citations