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CHEBI:28299 - quercetin 3-O-β-D-glucofuranoside

Default Structure
ChEBI IDCHEBI:28299
ChEBI Namequercetin 3-O-β-D-glucofuranoside
Stars
ASCII Namequercetin 3-O-beta-D-glucofuranoside
DefinitionA quercetin O-glucoside in which a glucofuranosyl residue is attached at position 3 of quercetin via a β-glycosidic linkage.
Secondary ChEBI IDsCHEBI:8702, CHEBI:26478
Last Modified29 July 2020
DownloadsMolfile
FormulaC21H20O12
Net Charge0
Average Mass464.379
Monoisotopic Mass464.09548
SMILES[H][C@]1([C@H](O)CO)O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1
InChIKeyOPJZLUXFQFQYAI-GNPVFZCLSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
quercetin 3-O-β-D-glucofuranoside (CHEBI:28299) has role metabolite (CHEBI:25212)
quercetin 3-O-β-D-glucofuranoside (CHEBI:28299) is a monosaccharide derivative (CHEBI:63367)
quercetin 3-O-β-D-glucofuranoside (CHEBI:28299) is a quercetin O-glucoside (CHEBI:64621)
quercetin 3-O-β-D-glucofuranoside (CHEBI:28299) is a tetrahydroxyflavone (CHEBI:38684)
quercetin 3-O-β-D-glucofuranoside (CHEBI:28299) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucofuranoside
Synonyms  Source
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-oneKEGG COMPOUND
3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranosideChemIDplus
IsoquercitrinKEGG COMPOUND
IsoquercitrosideChemIDplus
IsotrifoliinKEGG COMPOUND
Quercetin 3-O-glucosideKEGG COMPOUND
Manual XrefsDatabases
C05623KEGG COMPOUND
Registry NumbersSources
Reaxys:1444784Reaxys
CAS:21637-25-2KEGG COMPOUND
CAS:21637-25-2ChemIDplus