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

ChEBI IDCHEBI:149610
ChEBI Name(+)-catechin-3'-methyl ether
Stars
DefinitionA member of the class of catechins that is (+)-catechin in which the hydroxy group at position 3' has been replaced by a methoxy group.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.
Last Modified19 June 2020
Submittermwilliams
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESCOc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)ccc1O
InChIInChI=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
InChIKeyNJHJXXLBWQXMRO-XJKSGUPXSA-N
Species of MetaboliteComponentSourceComments
Picea abies (ncbitaxon:3329) bark (BTO:0001301) PubMed (7669281) Isolated from root bark.
Machilus wangchiana (ncbitaxon:460783) root (BTO:0001188) PubMed (25612442)
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)
(+)-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  Source
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triolIUPAC
3'-O-methyl-(+)-catechinChEBI
(+)-3'-O-methylcatechinChEBI
3'-O-methylcyanidanolChEBI
(2R-trans)-3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triolChEBI
3'-O-methylcatechinHMDB
Manual XrefsDatabases
LMPK12020142LIPID MAPS
HMDB0041507HMDB
FDB021479FooDB
Registry NumbersSources
CAS:60383-97-3ChEBI
Citations