Metabolomics Structure Database

 
MW REGNO: 49736
Common Name:2-Hydroxybenzyl alcohol
Systematic Name:2-(hydroxymethyl)phenol
RefMet Name:2-Hydroxybenzyl alcohol
Synonyms: [PubChem Synonyms]
Exact Mass:
124.0524 (neutral)    Calculate m/z:
Formula:C7H8O2
InChIKey:CQRYARSYNCAZFO-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:c1ccc(c(c1)CO)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5146
CHEBI ID:16464
HMDB ID:HMDB0059709
KEGG ID:C02323
Chemspider ID:4962
BMRB ID:bmse000768
MetaCyc ID:CPD-173
NP-MRD ID(NMR):NP0002906
Plant Metabolite Hub(Pmhub):MS000000129

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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