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CHEBI:66215 - 5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside

ChEBI IDCHEBI:66215
ChEBI Name5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside
Stars
ASCII Name5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside
DefinitionA glycosyloxyflavone that is 3,5,6,7,4'-pentahydroxyflavonol substituted by a rutinosyl group at position 3 via a glycosidic linkage. Isolated from Daphniphyllum calycinum, it exhibits antioxidant activity.
Last Modified11 July 2013
DownloadsMolfile
FormulaC27H30O16
Net Charge0
Average Mass610.521
Monoisotopic Mass610.15338
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)c(O)c(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H30O16/c1-8-15(30)20(35)22(37)26(40-8)39-7-13-17(32)21(36)23(38)27(42-13)43-25-19(34)14-12(6-11(29)16(31)18(14)33)41-24(25)9-2-4-10(28)5-3-9/h2-6,8,13,15,17,20-23,26-33,35-38H,7H2,1H3/t8-,13+,15-,17+,20+,21-,22+,23+,26+,27-/m0/s1
InChIKeyQYRJNVCANQPMCH-QGAVNTNWSA-N
Species of MetaboliteComponentSourceComments
Daphniphyllum calycinum (ncbitaxon:182071) leaf (BTO:0000713) PubMed (9599286)
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
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)
5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside (CHEBI:66215) has role metabolite (CHEBI:25212)
5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside (CHEBI:66215) has role radical scavenger (CHEBI:48578)
5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside (CHEBI:66215) is a disaccharide derivative (CHEBI:63353)
5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside (CHEBI:66215) is a glycosyloxyflavone (CHEBI:50018)
5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside (CHEBI:66215) is a rutinoside (CHEBI:26587)
5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside (CHEBI:66215) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Citations