EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178306 - 6-Chlorocatechin

ChEBI IDCHEBI:178306
ChEBI Name6-Chlorocatechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H13ClO6
Net Charge0
Average Mass324.716
Monoisotopic Mass324.04007
SMILESOc1ccc(C2Oc3cc(O)c(Cl)c(O)c3CC2O)cc1O
InChIInChI=1S/C15H13ClO6/c16-13-10(19)5-12-7(14(13)21)4-11(20)15(22-12)6-1-2-8(17)9(18)3-6/h1-3,5,11,15,17-21H,4H2
InChIKeyBHTBHJNGFQRAJI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-Chlorocatechin (CHEBI:178306) is a catechin (CHEBI:23053)
IUPAC Name 
6-chloro-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
20057078ChemSpider
HMDB0038283HMDB