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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Catechin 5,7,3'-trimethyl ether
ChEBI ID CHEBI:193389
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H20O6
Net Charge 0
Average Mass 332.352
Monoisotopic Mass 332.12599
InChI InChI=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
InChIKey IJCWCJRLHJAVFD-KBXCAEBGSA-N
SMILES O1[C@@H]([C@@H](O)CC2=C1C=C(OC)C=C2OC)C3=CC(OC)=C(O)C=C3
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
9242693 ChemSpider
LMPK12020146 LIPID MAPS
View more database links