Metabolomics Structure Database

 
MW REGNO: 67619
Common Name:3-METHYLBENZYL ALCOHOL
Systematic Name:m-tolylmethanol
Synonyms:m-Tolyl carbinol; (3-Methylphenyl)methanol; Benzenemethanol, 3-methyl-; m-METHYLBENZYL ALCOHOL [PubChem Synonyms]
Exact Mass:
122.0732 (neutral)    Calculate m/z:
Formula:C8H10O
InChIKey:JJCKHVUTVOPLBV-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Benzyl alcohols [C0000033]
ClassyFire direct parent:Benzyl alcohols [C0000033]
NP-MRD NMR spectra:View NMR spectra
SMILES:Cc1cccc(c1)CO
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:11476
BMRB ID:bmse000540
MetaCyc ID:3-METHYLBENZYL-ALCOHOL
NP-MRD ID(NMR):NP0002783
Plant Metabolite Hub(Pmhub):MS000019483

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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