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pelargonidin 3-O-β-D-glucoside (CHEBI:31967)

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ChEBI Name pelargonidin 3-O-β-D-glucoside
ChEBI ID CHEBI:31967
ChEBI ASCII Name pelargonidin 3-O-beta-D-glucoside
Definition An anthocyanin cation consisting of pelargonidin having a β-D-glucosyl residue attached at the 3-hydroxy position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
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Formula Source
C21H21O10 KEGG COMPOUND
Net Charge +1
Average Mass 433.38544
InChI
InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1
InChIKey
ABVCUBUIXWJYSE-GQUPQBGVSA-O
SMILES
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): plant secondary metabolite
Any plant metabolite that is not directly involved in the normal growth, development or reproduction of plants.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing pelargonidin 3-O-β-D-glucoside (CHEBI:31967) has functional parent pelargonidin (CHEBI:25863)
pelargonidin 3-O-β-D-glucoside (CHEBI:31967) has role plant secondary metabolite (CHEBI:75766)
pelargonidin 3-O-β-D-glucoside (CHEBI:31967) is a β-D-glucoside (CHEBI:22798)
pelargonidin 3-O-β-D-glucoside (CHEBI:31967) is a anthocyanin cation (CHEBI:35218)
Incoming pelargonidin 3-O-β-D-glucoside chloride (CHEBI:36122) has part pelargonidin 3-O-β-D-glucoside (CHEBI:31967)
IUPAC Name
3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4'-hydroxyflavylium
Synonyms Sources
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride ChemIDplus
3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride ChEBI
callistephin ChEBI
Pelargonidin 3-glucoside KEGG COMPOUND
Pelargonidin 3-O-glucoside KEGG COMPOUND
Pelargonidin-3-glucopyranoside ChemIDplus
Pelargonidin-3-glucoside ChemIDplus
Database Links Databases
C12137 KEGG COMPOUND
Callistephin Wikipedia
LMPK12010016 LIPID MAPS
PELARGONIDIN-3-GLUCOSIDE-CMPD MetaCyc
View more database links
Registry Numbers Types Sources
1672351 Beilstein Registry Number Beilstein
18466-51-8 CAS Registry Number KEGG COMPOUND
18466-51-8 CAS Registry Number ChemIDplus
3901091 Reaxys Registry Number Reaxys
3919123 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
15656691 PubMed citation CiteXplore
General Comment
2005-06-27 The major anthocyanin present in ripe strawberries.
 
Last Modified
20 February 2014

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