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CHEBI:66085 - isoscutellarein glycoside

ChEBI IDCHEBI:66085
ChEBI Nameisoscutellarein glycoside
Stars
DefinitionA C-glycosyl compound that is isoscutellarein attached to a β-D-glucopyranosyl moiety at position 6 via a C-glycosidic linkage. Isolated from the rhizomes of Iris pseudopumila, it exhibits antioxidant activity.
Last Modified28 February 2013
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILES[H][C@@]1(c2c(O)c(O)c3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H20O11/c22-6-11-14(25)17(28)19(30)21(32-11)13-15(26)12-9(24)5-10(7-1-3-8(23)4-2-7)31-20(12)18(29)16(13)27/h1-5,11,14,17,19,21-23,25-30H,6H2/t11-,14-,17+,19-,21+/m1/s1
InChIKeyRKEQWDAUYLDNEU-DSTJRUDUSA-N
Species of MetaboliteComponentSourceComments
Iris pseudopumila (IPNI:438994-1) rhizome (BTO:0001181) PubMed (17315314)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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)
isoscutellarein glycoside (CHEBI:66085) has functional parent isoscutellarein (CHEBI:6059)
isoscutellarein glycoside (CHEBI:66085) has role antioxidant (CHEBI:22586)
isoscutellarein glycoside (CHEBI:66085) has role metabolite (CHEBI:25212)
isoscutellarein glycoside (CHEBI:66085) is a C-glycosyl compound (CHEBI:20857)
isoscutellarein glycoside (CHEBI:66085) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
(1S)-1,5-anhydro-1-[5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
Synonym  Source
isoscutellarein-6-C-β-D-glucopyranosideChEBI
Registry NumbersSources
Reaxys:11109929Reaxys
Citations