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CHEBI:68351 - 4',5,7-trihydroxy-3-methoxyflavone-7-O-β-D-glucopyranoside

ChEBI IDCHEBI:68351
ChEBI Name4',5,7-trihydroxy-3-methoxyflavone-7-O-β-D-glucopyranoside
Stars
ASCII Name4',5,7-trihydroxy-3-methoxyflavone-7-O-beta-D-glucopyranoside
DefinitionA glycosyloxyflavone that is 4',5,7-trihydroxy-3-methoxyflavone attached to a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is isolated from the whole plant of Lepisorus contortus.
Last Modified24 September 2013
DownloadsMolfile
FormulaC22H22O11
Net Charge0
Average Mass462.407
Monoisotopic Mass462.11621
SMILESCOc1c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O
InChIInChI=1S/C22H22O11/c1-30-21-17(27)15-12(25)6-11(31-22-19(29)18(28)16(26)14(8-23)33-22)7-13(15)32-20(21)9-2-4-10(24)5-3-9/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3/t14-,16-,18+,19-,22-/m1/s1
InChIKeyFQKGNOGAGLOTLV-UKWZQOBBSA-N
Species of MetaboliteComponentSourceComments
Lepisorus contortus (ncbitaxon:699669) whole plant (BTO:0001461) PubMed (21261296) 95% EtOH extract of air-dried, powdered whole plant
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)
4',5,7-trihydroxy-3-methoxyflavone-7-O-β-D-glucopyranoside (CHEBI:68351) has functional parent kaempferol (CHEBI:28499)
4',5,7-trihydroxy-3-methoxyflavone-7-O-β-D-glucopyranoside (CHEBI:68351) has role metabolite (CHEBI:25212)
4',5,7-trihydroxy-3-methoxyflavone-7-O-β-D-glucopyranoside (CHEBI:68351) is a dihydroxyflavone (CHEBI:38686)
4',5,7-trihydroxy-3-methoxyflavone-7-O-β-D-glucopyranoside (CHEBI:68351) is a glycosyloxyflavone (CHEBI:50018)
4',5,7-trihydroxy-3-methoxyflavone-7-O-β-D-glucopyranoside (CHEBI:68351) is a monomethoxyflavone (CHEBI:25401)
4',5,7-trihydroxy-3-methoxyflavone-7-O-β-D-glucopyranoside (CHEBI:68351) is a monosaccharide derivative (CHEBI:63367)
4',5,7-trihydroxy-3-methoxyflavone-7-O-β-D-glucopyranoside (CHEBI:68351) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
Registry NumbersSources
Reaxys:21301585Reaxys
Citations