Metabolomics Structure Database

 
MW REGNO: 28105
Common Name:Carvacrol
Systematic Name:2-methyl-5-propan-2-ylphenol
Synonyms: [PubChem Synonyms]
Exact Mass:
150.1045 (neutral)    Calculate m/z:
Formula:C10H14O
InChIKey:RECUKUPTGUEGMW-UHFFFAOYSA-N
LIPID MAPS Category:Prenol Lipids [PR]
LIPID MAPS mainclass:Isoprenoids [PR01]
LIPID MAPS subclass:C10 isoprenoids (monoterpenes) [PR0102]
LIPID MAPS level4class:Menthane monoterpenoids [LMPR010209]
MoNA MS spectra:View MS spectra
SMILES:CC(C)c1ccc(C)c(c1)O
Studies:-

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External database links:

PubChem CID:10364
LIPID MAPS ID:LMPR0102090017
CHEBI ID:3440
HMDB ID:HMDB0035770
KEGG ID:C09840
Chemspider ID:21105867
Plant Metabolite Hub(Pmhub):MS000021066

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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