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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name quercetin 3-O-β-D-glucofuranoside
ChEBI ID CHEBI:28299
ChEBI ASCII Name quercetin 3-O-beta-D-glucofuranoside
Definition A quercetin O-glucoside in which a glucofuranosyl residue is attached at position 3 of quercetin via a β-glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8702, CHEBI:26478
Supplier Information ZINC000013827646
Download Molfile XML SDF
Formula C21H20O12
Net Charge 0
Average Mass 464.37630
Monoisotopic Mass 464.09548
InChI InChI=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
InChIKey OPJZLUXFQFQYAI-GNPVFZCLSA-N
SMILES [H][C@@]1(O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O)[C@H](O)CO
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 quercetin 3-O-β-D-glucofuranoside (CHEBI:28299) has role metabolite (CHEBI:25212)
quercetin 3-O-β-D-glucofuranoside (CHEBI:28299) is a β-D-glucoside (CHEBI:22798)
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)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucofuranoside
Synonyms Sources
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one KEGG COMPOUND
3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranoside ChemIDplus
Isoquercitrin KEGG COMPOUND
Isoquercitroside ChemIDplus
Isotrifoliin KEGG COMPOUND
Quercetin 3-O-glucoside KEGG COMPOUND
Manual Xref Database
C05623 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1444784 Reaxys Registry Number Reaxys
21637-25-2 CAS Registry Number KEGG COMPOUND
21637-25-2 CAS Registry Number ChemIDplus
Last Modified
29 July 2020
General Comment
2020-07-29 The glucose moiety in this structure is in the furanose (5-membered ring) form. There is a separate entry where the glucose moiety is in the pyranose (6-membered ring) form, CHEBI:68352.