CHEBI:85135 - formononetin 7-O-rutinoside

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ChEBI Name formononetin 7-O-rutinoside
ChEBI ID CHEBI:85135
ChEBI ASCII Name formononetin 7-O-rutinoside
Definition A 4'-methoxyisoflavone that is the 7-O-rutinosyl derivative of formononetin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H32O13
Net Charge 0
Average Mass 576.547
Monoisotopic Mass 576.18429
InChI InChI=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
InChIKey ZSCRYAYQFLBRDF-ZUTPBCDKSA-N
SMILES C12=CC(=CC=C2C(C(=CO1)C=3C=CC(=CC3)OC)=O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O
Metabolite of Species Details
Centella asiatica (NCBI:txid48106) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4'-methoxyisoflavone-7-O-[α-L-rhamnopyranosyl(1→6)]-β-D-glucopyranoside ChEBI
Derriscanoside A KNApSAcK
Manual Xref Database
C00010081 KNApSAcK
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Registry Number Type Source
22934669 Reaxys Registry Number Reaxys
Last Modified
17 November 2016