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CHEBI:31463 - delphinidin 3-O-β-D-glucoside

ChEBI IDCHEBI:31463
ChEBI Namedelphinidin 3-O-β-D-glucoside
Stars
ASCII Namedelphinidin 3-O-beta-D-glucoside
DefinitionAn anthocyanin cation consisting of delphinidin having a β-D-glucosyl residue attached at the 3-hydroxy position.
Last Modified29 March 2018
DownloadsMolfile
FormulaC21H21O12
Net Charge+1
Average Mass465.387
Monoisotopic Mass465.10275
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1
InChIKeyXENHPQQLDPAYIJ-PEVLUNPASA-O
Wikipedia
Roles Classification
Biological Role:
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)
delphinidin 3-O-β-D-glucoside (CHEBI:31463) has functional parent delphinidin (CHEBI:28436)
delphinidin 3-O-β-D-glucoside (CHEBI:31463) has role plant metabolite (CHEBI:76924)
delphinidin 3-O-β-D-glucoside (CHEBI:31463) is a anthocyanin cation (CHEBI:35218)
delphinidin 3-O-β-D-glucoside (CHEBI:31463) is a β-D-glucoside (CHEBI:22798)
delphinidin 3-O-β-D-glucoside (CHEBI:31463) is conjugate acid of delphinidin 3-O-β-D-glucoside betaine (CHEBI:144776)
Incoming Relation(s)
delphinidin 3-O-β-D-glucoside betaine (CHEBI:144776) is conjugate base of delphinidin 3-O-β-D-glucoside (CHEBI:31463)
IUPAC Name 
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl β-D-glucopyranoside
Synonyms  Source
Delphinidin 3-O-glucosideKEGG COMPOUND
Delphinidin 3-glucosideKEGG COMPOUND
delfinidin 3-O-β-D-glucosideChEBI
Delphinidin 3-O-beta-D-glucosideKEGG COMPOUND
Manual XrefsDatabases
C12138KEGG COMPOUND
HMDB0037997HMDB
LMPK12010278LIPID MAPS
Delphinidin-3-O-glucosideWikipedia
C00006698KNApSAcK
Registry NumbersSources
Reaxys:1695888Reaxys
CAS:50986-17-9KEGG COMPOUND
Citations