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CHEBI:85135 - formononetin 7-O-rutinoside

ChEBI IDCHEBI:85135
ChEBI Nameformononetin 7-O-rutinoside
Stars
ASCII Nameformononetin 7-O-rutinoside
DefinitionA 4'-methoxyisoflavone that is the 7-O-rutinosyl derivative of formononetin.
Last Modified17 November 2016
Submitternamrata
DownloadsMolfile
FormulaC28H32O13
Net Charge0
Average Mass576.551
Monoisotopic Mass576.18429
SMILESCOc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1
InChIInChI=1S/C28H32O13/c1-12-20(29)23(32)25(34)27(39-12)38-11-19-22(31)24(33)26(35)28(41-19)40-15-7-8-16-18(9-15)37-10-17(21(16)30)13-3-5-14(36-2)6-4-13/h3-10,12,19-20,22-29,31-35H,11H2,1-2H3/t12-,19+,20-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKeyZSCRYAYQFLBRDF-ZUTPBCDKSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
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)
formononetin 7-O-rutinoside (CHEBI:85135) has functional parent formononetin (CHEBI:18088)
formononetin 7-O-rutinoside (CHEBI:85135) has role plant metabolite (CHEBI:76924)
formononetin 7-O-rutinoside (CHEBI:85135) is a 4'-methoxyisoflavones (CHEBI:133959)
formononetin 7-O-rutinoside (CHEBI:85135) is a disaccharide derivative (CHEBI:63353)
formononetin 7-O-rutinoside (CHEBI:85135) is a rutinoside (CHEBI:26587)
IUPAC Name 
3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonyms  Source
4'-methoxyisoflavone-7-O-[α-L-rhamnopyranosyl(1→6)]-β-D-glucopyranosideChEBI
Derriscanoside AKNApSAcK
Manual XrefsDatabases
C00010081KNApSAcK
Registry NumbersSources
Reaxys:22934669Reaxys