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CHEBI:76060 - quercetin 3-O-β-D-fucopyranoside

ChEBI IDCHEBI:76060
ChEBI Namequercetin 3-O-β-D-fucopyranoside
Stars
ASCII Namequercetin 3-O-beta-D-fucopyranoside
DefinitionA quercetin O-glycoside that is quercetin attached to a β-D-fucopyranosyl moiety at position 3 via a glycosidic linkage.
Last Modified28 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21+/m1/s1
InChIKeyOXGUCUVFOIWWQJ-JZGUBBPASA-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-fucopyranoside (CHEBI:76060) has functional parent β-D-fucose (CHEBI:27442)
quercetin 3-O-β-D-fucopyranoside (CHEBI:76060) has role metabolite (CHEBI:25212)
quercetin 3-O-β-D-fucopyranoside (CHEBI:76060) is a monosaccharide derivative (CHEBI:63367)
quercetin 3-O-β-D-fucopyranoside (CHEBI:76060) is a quercetin O-glycoside (CHEBI:76424)
quercetin 3-O-β-D-fucopyranoside (CHEBI:76060) is a tetrahydroxyflavone (CHEBI:38684)
quercetin 3-O-β-D-fucopyranoside (CHEBI:76060) is a β-D-fucoside (CHEBI:28419)
IUPAC Names 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-β-D-galactopyranoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-fucopyranoside
Registry NumbersSources
Reaxys:11724696Reaxys