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CHEBI:62224 - (−)-7-epi-α-selinene

ChEBI IDCHEBI:62224
ChEBI Name(−)-7-epi-α-selinene
Stars
ASCII Name(-)-7-epi-alpha-selinene
DefinitionAn isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic with (2S,4aR,8aR)-configuration.
Last Modified7 September 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12C[C@@H](C(=C)C)CC[C@@]1(C)CCC=C2C
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15+/m0/s1
InChIKeyOZQAPQSEYFAMCY-SOUVJXGZSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(−)-7-epi-α-selinene (CHEBI:62224) is a octahydronaphthalenes (CHEBI:138397)
(−)-7-epi-α-selinene (CHEBI:62224) is a selinene (CHEBI:49272)
IUPAC Name 
(2S,4aR,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Synonym  Source
7βH-eudesma-3,11-dieneChEBI
UniProt Name  Source
(−)-7-epi-α-selineneUniProt
Registry NumbersSources
Reaxys:2501575Reaxys
Citations