(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335)

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ChEBI Name	(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol

ChEBI ID	CHEBI:71335

ChEBI ASCII Name	(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol

Definition	A 7,2'-dihydroxy-4'-methoxyisoflavanol that has R configuration at position 3.

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

Submitter	KAX

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O5

Net Charge

Average Mass

288.296

Monoisotopic Mass

288.09977

InChI

InChI=1S/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3/t13-,16?/m0/s1

InChIKey

YZBBUYKPTHDZHF-KNVGNIICSA-N

SMILES

C12=CC=C(C=C2OC[C@H](C1O)C=3C(=CC(=CC3)OC)O)O

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. (via 7,2'-dihydroxy-4'-methoxyisoflavanol )

ChEBI Ontology
Outgoing	(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) has parent hydride (R)-isoflavan (CHEBI:36101) (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a 7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142880) (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a aromatic ether (CHEBI:35618) (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a hydroxyisoflavans (CHEBI:76250) (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a methoxyisoflavan (CHEBI:77002) (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a secondary alcohol (CHEBI:35681) (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is conjugate base of (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation (CHEBI:72648)

Incoming	(3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:72646) is a (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation (CHEBI:72648) is conjugate acid of (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335)

IUPAC Name

(3R)-3-(2-hydroxy-4-methoxyphenyl)chromane-4,7-diol

Synonyms	Sources
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol	ChEBI
4'-methoxyisoflavan-2',4,7-triol	UniProt
DMI	KEGG COMPOUND

Citation	Type	Source
8071365	PubMed citation	SUBMITTER

Last Modified

10 January 2019