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CHEBI:62756 - (−)-exo-α-bergamotene

ChEBI IDCHEBI:62756
ChEBI Name(−)-exo-α-bergamotene
Stars
ASCII Name(-)-exo-alpha-bergamotene
DefinitionAn α-bergamotene that has (1S,5S,6R)-configuration.
Last Modified20 September 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC(C)=CCC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2
InChIInChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1
InChIKeyYMBFCQPIMVLNIU-SOUVJXGZSA-N
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
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)
(−)-exo-α-bergamotene (CHEBI:62756) is a α-bergamotene (CHEBI:62755)
IUPAC Name 
(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
Synonym  Source
(−)-trans-α-bergamoteneChEBI
UniProt Name  Source
(1S,5S,6R)-α-bergamoteneUniProt
Registry NumbersSources
Reaxys:2207726Reaxys
Citations