Metabolomics Structure Database
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MW REGNO: | 49739 |
Common Name: | 3-Hydroxybenzyl alcohol |
Systematic Name: | 3-(hydroxymethyl)phenol |
RefMet Name: | 3-Hydroxybenzyl alcohol |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C7H8O2 |
InChIKey: | OKVJCVWFVRATSG-UHFFFAOYSA-N |
ClassyFire superclass: | Benzenoids [C0002448] |
ClassyFire class: | Benzene and substituted derivatives [C0002279] |
ClassyFire subclass: | Benzyl alcohols [C0000033] |
ClassyFire direct parent: | Benzyl alcohols [C0000033] |
SMILES: | c1cc(cc(c1)O)CO |
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