Metabolomics Structure Database

 
MW REGNO: 37931
Common Name:Naproxen
Systematic Name:(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
RefMet Name:Naproxen
Synonyms: [PubChem Synonyms]
Exact Mass:
230.0943 (neutral)    Calculate m/z:
Formula:C14H14O3
InChIKey:CMWTZPSULFXXJA-VIFPVBQESA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Naphthalenes [C0000023]
ClassyFire subclass:Naphthalenes [C0000023]
ClassyFire direct parent:Aromatic homopolycyclic compounds
Massbank MS spectra:View MS spectra
SMILES:C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O
Studies:Available studies (via RefMet name)

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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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