Metabolomics Structure Database

 
MW REGNO: 62075
Common Name:(-)-7-epi-alpha-selinene
Systematic Name:(2S,4aR,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
RefMet Name:7-epi-alpha-Selinene
Synonyms:(-)-7-epi-alpha-selinene; 7betaH-eudesma-3,11-diene [PubChem Synonyms]
Exact Mass:
204.1878 (neutral)    Calculate m/z:
Formula:C15H24
InChIKey:OZQAPQSEYFAMCY-SOUVJXGZSA-N
LIPID MAPS Category:Prenol Lipids
LIPID MAPS mainclass:Isoprenoids
LIPID MAPS subclass:C15 isoprenoids
SMILES:C=C(C)[C@H]1CC[C@@]2(C)CCC=C(C)[C@@H]2C1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:10726905
CHEBI ID:62224

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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