CHEBI:27475 - cyanidin 3-O-β-D-galactoside

ChEBI IDCHEBI:27475
ChEBI Namecyanidin 3-O-β-D-galactoside
Stars
ASCII Namecyanidin 3-O-beta-D-galactoside
DefinitionAn anthocyanin cation that is cyanidin(1+) carrying a single β-D-galactosyl substituent at position 3.
Secondary ChEBI IDsCHEBI:3973, CHEBI:23428
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H21O11
Net Charge+1
Average Mass449.388
Monoisotopic Mass449.10784
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O
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-O
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 (CHEBI:27475) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-β-D-galactoside (CHEBI:27475) has role food component (CHEBI:78295)
cyanidin 3-O-β-D-galactoside (CHEBI:27475) has role plant metabolite (CHEBI:76924)
cyanidin 3-O-β-D-galactoside (CHEBI:27475) is a anthocyanin cation (CHEBI:35218)
cyanidin 3-O-β-D-galactoside (CHEBI:27475) is a monosaccharide derivative (CHEBI:63367)
cyanidin 3-O-β-D-galactoside (CHEBI:27475) is a β-D-galactoside (CHEBI:28034)
cyanidin 3-O-β-D-galactoside (CHEBI:27475) is conjugate acid of cyanidin 3-O-β-D-galactoside betaine (CHEBI:71515)
Incoming Relation(s)
cyanidin 3-O-β-D-galactoside chloride (CHEBI:37664) has part cyanidin 3-O-β-D-galactoside (CHEBI:27475)
cyanidin 3-O-β-D-galactoside betaine (CHEBI:71515) is conjugate base of cyanidin 3-O-β-D-galactoside (CHEBI:27475)
IUPAC Name 
3-(β-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium
Synonym  Source
Cyanidin 3-O-galactosideKEGG COMPOUND
Manual XrefsDatabases
C08647KEGG COMPOUND
C00006652KNApSAcK
Registry NumbersSources
Reaxys:3920159Reaxys
Citations