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CHEBI:77935 - cyanidin 3-O-β-D-galactoside(1−)

ChEBI IDCHEBI:77935
ChEBI Namecyanidin 3-O-β-D-galactoside(1−)
Stars
ASCII Namecyanidin 3-O-beta-D-galactoside(1-)
DefinitionA phenolate anion obtained by deprotonation of the 5- and 7-hydroxy groups of cyanidin 3-O-β-D-galactoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC21H19O11
Net Charge-1
Average Mass447.372
Monoisotopic Mass447.09329
SMILES[O-]c1cc([O-])c2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)[o+]c2c1
InChIInChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p-1/t16-,17+,18+,19-,21-/m1/s1
InChIKeyRKWHWFONKJEUEF-WVXKDWSHSA-M
Roles Classification
Biological Roles:
food component  A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) has role food component (CHEBI:78295)
cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) has role plant metabolite (CHEBI:76924)
cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) is a phenolate anion (CHEBI:50525)
cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) is conjugate base of cyanidin 3-O-β-D-galactoside betaine (CHEBI:71515)
Incoming Relation(s)
cyanidin 3-O-β-D-galactoside betaine (CHEBI:71515) is conjugate acid of cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)chromenium-5,7-diolate
UniProt Name  Source
cyanidin 3-O-β-D-galactosideUniProt