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CHEBI:28426 - cyanidin 3-O-β-D-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyanidin 3-O-β-D-glucoside
ChEBI ID CHEBI:28426
ChEBI ASCII Name cyanidin 3-O-beta-D-glucoside
Definition An anthocyanin cation that is a cyanidin cation linked to a β-D-glucosyl moiety at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3974, CHEBI:23429
Supplier Information
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Formula C21H21O11
Net Charge +1
Average Mass 449.38484
Monoisotopic Mass 449.108
InChI InChI=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
InChIKey RKWHWFONKJEUEF-GQUPQBGVSA-O
SMILES OC[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
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyanidin 3-O-β-D-glucoside (CHEBI:28426) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-β-D-glucoside (CHEBI:28426) has role metabolite (CHEBI:25212)
cyanidin 3-O-β-D-glucoside (CHEBI:28426) is a β-D-glucoside (CHEBI:22798)
cyanidin 3-O-β-D-glucoside (CHEBI:28426) is a anthocyanin cation (CHEBI:35218)
cyanidin 3-O-β-D-glucoside (CHEBI:28426) is a monosaccharide derivative (CHEBI:63367)
cyanidin 3-O-β-D-glucoside (CHEBI:28426) is conjugate acid of cyanidin 3-O-β-D-glucoside betaine (CHEBI:61318)
Incoming cyanidin 3-O-β-D-glucoside betaine (CHEBI:61318) is conjugate base of cyanidin 3-O-β-D-glucoside (CHEBI:28426)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl β-D-glucopyranoside
Synonyms Sources
Cyanidin 3-O-beta-D-glucoside KEGG COMPOUND
Cyanidin 3-O-glucoside KEGG COMPOUND
Cyanidin 3-O-glucoside KEGG COMPOUND
Database Links Databases
C00002374 KNApSAcK
C08604 KEGG COMPOUND
HMDB30684 HMDB
LMPK12010110 LIPID MAPS
View more database links
Registry Numbers Types Sources
1695615 Reaxys Registry Number Reaxys
7084-24-4 CAS Registry Number KEGG COMPOUND
Last Modified
23 October 2015