Metabolomics Structure Database

 
MW REGNO: 38755
Common Name:Hydroxytyrosol
Systematic Name:4-(2-hydroxyethyl)benzene-1,2-diol
Synonyms: [PubChem Synonyms]
Exact Mass:
154.0630 (neutral)    Calculate m/z:
Formula:C8H10O3
InChIKey:JUUBCHWRXWPFFH-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenols [C0000134]
ClassyFire subclass:Tyrosols and derivatives [C0000139]
ClassyFire direct parent:Tyrosols [C0003698]
SMILES:c1cc(c(cc1CCO)O)O
Studies:Available studies(via PubChem CID)

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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

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