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CHEBI:68350 - 4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside

ChEBI IDCHEBI:68350
ChEBI Name4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside
Stars
ASCII Name4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside
DefinitionA glycosyloxyflavone that is 4',5,7-trihydroxy-3-methoxyflavone attached to a rutionsyl residue at position 7. It is isolated from the whole plant of Lepisorus contortus.
Last Modified24 September 2013
DownloadsMolfile
FormulaC28H32O15
Net Charge0
Average Mass608.549
Monoisotopic Mass608.17412
SMILESCOc1c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O
InChIInChI=1S/C28H32O15/c1-10-18(31)21(34)23(36)27(40-10)39-9-16-19(32)22(35)24(37)28(43-16)41-13-7-14(30)17-15(8-13)42-25(26(38-2)20(17)33)11-3-5-12(29)6-4-11/h3-8,10,16,18-19,21-24,27-32,34-37H,9H2,1-2H3/t10-,16+,18-,19+,21+,22-,23+,24+,27+,28+/m0/s1
InChIKeyDDCXRGLXWQTCFL-ZREHCGJISA-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-rutinoside (CHEBI:68350) has functional parent kaempferol (CHEBI:28499)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) has role metabolite (CHEBI:25212)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) is a dihydroxyflavone (CHEBI:38686)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) is a disaccharide derivative (CHEBI:63353)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) is a glycosyloxyflavone (CHEBI:50018)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) is a monomethoxyflavone (CHEBI:25401)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) is a rutinoside (CHEBI:26587)
IUPAC Name 
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonym  Source
7-rutinosyl-3-methoxy-kaempferolChEBI
Registry NumbersSources
Reaxys:1339825Reaxys
Citations