Metabolomics Structure Database

 
MW REGNO: 42958
Common Name:Clofibrate
Systematic Name:ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
RefMet Name:Clofibrate
Synonyms: [PubChem Synonyms]
Exact Mass:
242.0710 (neutral)    Calculate m/z:
Formula:C12H15ClO3
InChIKey:KNHUKKLJHYUCFP-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Phenoxyacetic acid derivatives [C0000417]
ClassyFire direct parent:Phenoxyacetic acid derivatives [C0000417]
Massbank MS spectra:View MS spectra
SMILES:CCOC(=O)C(C)(C)Oc1ccc(cc1)Cl
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo