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CHEBI:5065 - fisetin 8-C-glucoside

Default Structure
ChEBI IDCHEBI:5065
ChEBI Namefisetin 8-C-glucoside
Stars
ASCII Namefisetin 8-C-glucoside
DefinitionA flavone C-glycoside that is fisetin substituted by a β-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage.
Last Modified4 June 2015
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1c(O)c(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
InChIInChI=1S/C21H20O11/c22-6-12-15(27)16(28)18(30)21(31-12)13-10(24)4-2-8-14(26)17(29)19(32-20(8)13)7-1-3-9(23)11(25)5-7/h1-5,12,15-16,18,21-25,27-30H,6H2/t12-,15-,16+,18-,21+/m1/s1
InChIKeyGVDZEEZFEKPWPL-GOXGMXGVSA-N
Roles Classification
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)
fisetin 8-C-glucoside (CHEBI:5065) has functional parent fisetin (CHEBI:42567)
fisetin 8-C-glucoside (CHEBI:5065) has role plant metabolite (CHEBI:76924)
fisetin 8-C-glucoside (CHEBI:5065) is a 3'-hydroxyflavonoid (CHEBI:27741)
fisetin 8-C-glucoside (CHEBI:5065) is a 7-hydroxyflavonol (CHEBI:52267)
fisetin 8-C-glucoside (CHEBI:5065) is a flavone C-glycoside (CHEBI:83280)
fisetin 8-C-glucoside (CHEBI:5065) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol
Synonym  Source
Fisetin 8-C-glucosideKEGG COMPOUND
Manual XrefsDatabases
C00001039KNApSAcK
C10042KEGG COMPOUND
Registry NumbersSources
Reaxys:6757039Reaxys
CAS:108335-27-9KEGG COMPOUND
Citations