EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193389 - Catechin 5,7,3'-trimethyl ether

ChEBI IDCHEBI:193389
ChEBI NameCatechin 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+/m0/s1
InChIKeyIJCWCJRLHJAVFD-KBXCAEBGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Catechin 5,7,3'-trimethyl ether (CHEBI:193389) is a catechin (CHEBI:23053)
IUPAC Name 
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
Manual XrefsDatabases
LMPK12020146LIPID MAPS
9242693ChemSpider