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CHEBI:193176 - 3-(4-Hydroxybenzoyl)epicatechin

ChEBI IDCHEBI:193176
ChEBI Name3-(4-Hydroxybenzoyl)epicatechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O8
Net Charge0
Average Mass410.378
Monoisotopic Mass410.10017
SMILESO=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)cc1
InChIInChI=1S/C22H18O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h1-9,20-21,23-27H,10H2/t20-,21-/m1/s1
InChIKeyHRNWMQFQEGGZKA-NHCUHLMSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
3-(4-Hydroxybenzoyl)epicatechin (CHEBI:193176) is a catechin (CHEBI:23053)
IUPAC Name 
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-hydroxybenzoate
Manual XrefsDatabases
HMDB0039327HMDB
8939356ChemSpider
LMPK12020106LIPID MAPS