peonidin 3-O-beta-D-glucoside (CHEBI:74793)

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CHEBI:74793 - peonidin 3-O-β-D-glucoside

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ChEBI ID	CHEBI:74793
ChEBI Name	peonidin 3-O-β-D-glucoside
Stars
ASCII Name	peonidin 3-O-beta-D-glucoside
Definition	An anthocyanin cation that is the 3-O-β-D-glucoside of peonidin (methylcyanidin).
Secondary ChEBI ID	CHEBI:31977
Last Modified	24 October 2019
Downloads	Molfile

Formula	C22H23O11
Net Charge	+1
Average Mass	463.415
Monoisotopic Mass	463.12349
SMILES	COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
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

Wikipedia

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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)
	peonidin 3-O-β-D-glucoside (CHEBI:74793) has functional parent peonidin (CHEBI:75314)
	peonidin 3-O-β-D-glucoside (CHEBI:74793) has role antioxidant (CHEBI:22586)
	peonidin 3-O-β-D-glucoside (CHEBI:74793) has role plant metabolite (CHEBI:76924)
	peonidin 3-O-β-D-glucoside (CHEBI:74793) is a anthocyanin cation (CHEBI:35218)
	peonidin 3-O-β-D-glucoside (CHEBI:74793) is a monosaccharide derivative (CHEBI:63367)
	peonidin 3-O-β-D-glucoside (CHEBI:74793) is a β-D-glucoside (CHEBI:22798)
	peonidin 3-O-β-D-glucoside (CHEBI:74793) is conjugate acid of peonidin 3-O-β-D-glucoside betaine (CHEBI:144780)
Incoming Relation(s)
Incoming Relation(s)	peonidin 3-O-β-D-glucoside betaine (CHEBI:144780) is conjugate base of peonidin 3-O-β-D-glucoside (CHEBI:74793)

IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3-yl β-D-glucopyranoside

Synonyms	Source
Peonidin-3-glucoside	KEGG COMPOUND
Peonidin 3-O-glucoside	HMDB
Peonidin-3-glucoside	HMDB
3'-O-methylcyanidin 3-O-β-D-glucoside	ChEBI
Oxycoccicyanin	LIPID MAPS

Manual Xrefs	Databases
C12141	KEGG COMPOUND
HMDB0013689	HMDB
C12141	KEGG COMPOUND
Peonidin-3-O-glucoside	Wikipedia
LMPK12010233	LIPID MAPS

Registry Numbers	Sources
Reaxys:1695761	Reaxys
CAS:68795-37-9	HMDB
CAS:68795-37-9	KEGG COMPOUND

Citations