Metabolomics Structure Database

 
MW REGNO: 28168
Common Name:(1S,2R,4S)-(-)-Bornyl acetate
Systematic Name:[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
RefMet Name:(1S,2R,4S)-Bornyl acetate
Synonyms: [PubChem Synonyms]
Exact Mass:
196.1463 (neutral)    Calculate m/z:
Formula:C12H20O2
InChIKey:KGEKLUUHTZCSIP-SQLBVSGCSA-N
LIPID MAPS Category:Prenol Lipids [PR]
LIPID MAPS mainclass:Isoprenoids [PR01]
LIPID MAPS subclass:C10 isoprenoids (monoterpenes) [PR0102]
LIPID MAPS level4class:Bicyclic monoterpenoids [LMPR010212]
SMILES:CC(=O)O[C@@H]1CC2CCC1(C)C2(C)C
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo