Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OHO
MW REGNO: 209542
Common Name:4-(Hexyloxy)phenol
Synonyms: [PubChem Synonyms]
Exact Mass:
194.1307 (neutral)    Calculate m/z:
Formula:C12H18O2
InChIKey:XIIIHRLCKLSYNH-UHFFFAOYSA-N
SMILES:CCCCCCOc1ccc(cc1)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:29354
EPA CompTox DB:DTXCID9028170

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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