2,5,7-trihydroxy-4'-methoxyisoflavanone (CHEBI:133308)

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CHEBI:133308 - 2,5,7-trihydroxy-4'-methoxyisoflavanone

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ChEBI ID	CHEBI:133308
ChEBI Name	2,5,7-trihydroxy-4'-methoxyisoflavanone
Stars
Definition	A hydroxyisoflavanone bearing three hydroxy substituents at positions 2, 5 and 7 in addition to a methoxy substituent at position 4'.
Last Modified	17 February 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C16H14O6
Net Charge	0
Average Mass	302.282
Monoisotopic Mass	302.07904
SMILES	COc1ccc([C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2O)cc1
InChI	InChI=1S/C16H14O6/c1-21-10-4-2-8(3-5-10)13-15(19)14-11(18)6-9(17)7-12(14)22-16(13)20/h2-7,13,16-18,20H,1H3/t13-,16-/m1/s1
InChIKey	IIQJLBKXWGKSKE-CZUORRHYSA-N

Species of Metabolite	Component	Source	Comments
Glycine max (ncbitaxon:3847)
	-	MetaboLights (MTBLS117)
	-	PubMed (25369450)
	-	MetaboLights (MTBLS118)

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)
	2,5,7-trihydroxy-4'-methoxyisoflavanone (CHEBI:133308) has role plant metabolite (CHEBI:76924)
	2,5,7-trihydroxy-4'-methoxyisoflavanone (CHEBI:133308) is a hydroxyisoflavanone (CHEBI:72739)
	2,5,7-trihydroxy-4'-methoxyisoflavanone (CHEBI:133308) is a lactol (CHEBI:38131)
	2,5,7-trihydroxy-4'-methoxyisoflavanone (CHEBI:133308) is a methoxyisoflavanone (CHEBI:72740)

IUPAC Name
(2R,3S)-2,5,7-trihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one

Manual Xrefs	Databases
CPD-5421	MetaCyc