(+)-catechin-3'-methyl ether (CHEBI:149610)

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ChEBI Name	(+)-catechin-3'-methyl ether

ChEBI ID	CHEBI:149610

Definition	A member of the class of catechins that is (+)-catechin in which the hydroxy group at position 3' has been replaced by a methoxy group. It is a metabolite of (+)-catechin, a major polyphenol found in several fruits and vegetables.

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

Submitter	Mark Williams

Supplier Information

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Formula

C16H16O6

Net Charge

Average Mass

304.298

Monoisotopic Mass

304.09469

InChI

InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1

InChIKey

NJHJXXLBWQXMRO-XJKSGUPXSA-N

SMILES

C1([C@H]2OC3=C(C[C@@H]2O)C(=CC(=C3)O)O)=CC=C(C(=C1)OC)O

Metabolite of Species	Details
Picea abies (NCBI:txid3329)	Found in bark (BTO:0001301). Isolated from root bark. See: PubMed
Machilus wangchiana (NCBI:txid460783)	Found in root (BTO:0001188). 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	(+)-catechin-3'-methyl ether (CHEBI:149610) has functional parent (+)-catechin (CHEBI:15600) (+)-catechin-3'-methyl ether (CHEBI:149610) has role plant metabolite (CHEBI:76924) (+)-catechin-3'-methyl ether (CHEBI:149610) is a catechin (CHEBI:23053) (+)-catechin-3'-methyl ether (CHEBI:149610) is a monomethoxybenzene (CHEBI:25235) (+)-catechin-3'-methyl ether (CHEBI:149610) is a polyphenol (CHEBI:26195)

IUPAC Name

(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Synonyms	Sources
(+)-3'-O-methylcatechin	ChEBI
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	IUPAC
(2R-trans)-3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol	ChEBI
3'-O-methyl-(+)-catechin	ChEBI
3'-O-methylcatechin	HMDB
3'-O-methylcyanidanol	ChEBI

Registry Number	Type	Source
60383-97-3	CAS Registry Number	ChEBI

Last Modified

19 June 2020