Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OClClClOH
MW REGNO: 208800
Common Name:Chlorfenac
Synonyms: [PubChem Synonyms]
Exact Mass:
237.9355 (neutral)    Calculate m/z:
Formula:C8H5Cl3O2
InChIKey:QZXCCPZJCKEPSA-UHFFFAOYSA-N
SMILES:c1cc(c(c(CC(=O)O)c1Cl)Cl)Cl
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:6805
EPA CompTox DB:DTXCID0020284

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

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