CHEBI:74793 - 3'-O-methylcyanidin 3-O-β-D-glucoside

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ChEBI Name 3'-O-methylcyanidin 3-O-β-D-glucoside
ChEBI ID CHEBI:74793
ChEBI ASCII Name 3'-O-methylcyanidin 3-O-beta-D-glucoside
Definition An anthocyanin cation that is the 3-O-β-D-glucoside of methylcyanidin (peonidin).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Secondary ChEBI IDs CHEBI:31977
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Formula C22H23O11
Net Charge +1
Average Mass 463.41140
Monoisotopic Mass 463.124
InChI InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1
InChIKey ZZWPMFROUHHAKY-OUUKCGNVSA-O
SMILES COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3'-O-methylcyanidin 3-O-β-D-glucoside (CHEBI:74793) has functional parent peonidin (CHEBI:75314)
3'-O-methylcyanidin 3-O-β-D-glucoside (CHEBI:74793) has role antioxidant (CHEBI:22586)
3'-O-methylcyanidin 3-O-β-D-glucoside (CHEBI:74793) has role plant metabolite (CHEBI:76924)
3'-O-methylcyanidin 3-O-β-D-glucoside (CHEBI:74793) is a β-D-glucoside (CHEBI:22798)
3'-O-methylcyanidin 3-O-β-D-glucoside (CHEBI:74793) is a anthocyanin cation (CHEBI:35218)
3'-O-methylcyanidin 3-O-β-D-glucoside (CHEBI:74793) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3-yl β-D-glucopyranoside
Synonyms Sources
Oxycoccicyanin LIPID MAPS
peonidin 3-O-β-D-glucoside ChEBI
Peonidin 3-O-glucoside HMDB
Peonidin-3-glucoside KEGG COMPOUND
Peonidin-3-glucoside HMDB
Database Links Databases
C12141 KEGG COMPOUND
HMDB0013689 HMDB
LMPK12010233 LIPID MAPS
Peonidin-3-O-glucoside Wikipedia
View more database links
Registry Numbers Types Sources
1695761 Reaxys Registry Number Reaxys
68795-37-9 CAS Registry Number HMDB
Citations Waiting for Citations Types Sources
22703561 PubMed citation Europe PMC
23957301 PubMed citation Europe PMC
24570272 PubMed citation Europe PMC
Last Modified
28 July 2014