irigenin (CHEBI:81409)

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ChEBI Name	irigenin

ChEBI ID	CHEBI:81409

Definition	A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3' and methoxy groups at positions 6, 4' and 5' respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C18H16O8

Net Charge

Average Mass

360.31480

Monoisotopic Mass

360.08452

InChI

InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3

InChIKey

TUGWPJJTQNLKCL-UHFFFAOYSA-N

SMILES

COc1cc(cc(O)c1OC)-c1coc2cc(O)c(OC)c(O)c2c1=O

Metabolite of Species	Details
Iris germanica (NCBI:txid34205)	Found in rhizome (BTO:0001181). See: PubMed
Iris domestica (NCBI:txid58944)	See: PubMed

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.

ChEBI Ontology
Outgoing	irigenin (CHEBI:81409) has functional parent isoflavone (CHEBI:18220) irigenin (CHEBI:81409) has role plant metabolite (CHEBI:76924) irigenin (CHEBI:81409) is a 4'-methoxyisoflavones (CHEBI:133959) irigenin (CHEBI:81409) is a hydroxyisoflavone (CHEBI:38755)

Incoming	iridin (CHEBI:5963) has functional parent irigenin (CHEBI:81409)

Synonym	Source
5,7,3'-trihydroxy-6,4',5'-trimethoxyisoflavone	ChEBI

Last Modified

17 November 2016