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CHEBI:186007 - Epicatechin 5,7,3'-trimethyl ether

ChEBI IDCHEBI:186007
ChEBI NameEpicatechin 5,7,3'-trimethyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESCOc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](O)C2
InChIInChI=1S/C18H20O6/c1-21-11-7-15(22-2)12-9-14(20)18(24-16(12)8-11)10-4-5-13(19)17(6-10)23-3/h4-8,14,18-20H,9H2,1-3H3/t14-,18-/m1/s1
InChIKeyIJCWCJRLHJAVFD-RDTXWAMCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Epicatechin 5,7,3'-trimethyl ether (CHEBI:186007) is a catechin (CHEBI:23053)
IUPAC Name 
(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
Manual XrefsDatabases
4982961ChemSpider
LMPK12020147LIPID MAPS