EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:32131 - Simfibrate

Default Structure
ChEBI IDCHEBI:32131
ChEBI NameSimfibrate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H26Cl2O6
Net Charge0
Average Mass469.361
Monoisotopic Mass468.11064
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2O6/c1-22(2,30-18-10-6-16(24)7-11-18)20(26)28-14-5-15-29-21(27)23(3,4)31-19-12-8-17(25)9-13-19/h6-13H,5,14-15H2,1-4H3
InChIKeyJLRNKCZRCMIVKA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Simfibrate (CHEBI:32131) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
cholesolvinDrugCentral
clofibric acid trimethylene esterDrugCentral
SimfibrateKEGG COMPOUND
Manual XrefsDatabases
2444DrugCentral
D01212KEGG DRUG
Registry NumbersSources
CAS:14929-11-4KEGG COMPOUND