Metabolomics Structure Database

 
MW REGNO: 143110
Common Name:3-Ethylphenol
Systematic Name:3-ethylphenol
Synonyms: [PubChem Synonyms]
Exact Mass:
122.0732 (neutral)    Calculate m/z:
Formula:C8H10O
InChIKey:HMNKTRSOROOSPP-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenols [C0000134]
ClassyFire subclass:1-hydroxy-4-unsubstituted benzenoids [C0004647]
Massbank MS spectra:View MS spectra
SMILES:CCc1cccc(c1)O
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:12101
HMDB ID:HMDB0059873
CHEMBL ID:CHEMBL58052
EPA CompTox DB:DTXCID402480
Plant Metabolite Hub(Pmhub):MS000023695

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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