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CHEBI:49249 - β-bisabolene

ChEBI IDCHEBI:49249
ChEBI Nameβ-bisabolene
Stars
ASCII Namebeta-bisabolene
DefinitionA bisabolene that is cyclohexene substituted by a methyl group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 4.
Last Modified24 August 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESC=C(CCC=C(C)C)C1CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3
InChIKeyXZRVRYFILCSYSP-UHFFFAOYSA-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)
β-bisabolene (CHEBI:49249) has role plant metabolite (CHEBI:76924)
β-bisabolene (CHEBI:49249) is a bisabolene (CHEBI:49235)
Incoming Relation(s)
(R)-β-bisabolene (CHEBI:49266) is a β-bisabolene (CHEBI:49249)
(S)-β-bisabolene (CHEBI:49263) is a β-bisabolene (CHEBI:49249)
IUPAC Names 
1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene
bisabola-4,7(11),10(15)-triene
Synonym  Source
β-BisabolenChEBI
UniProt Name  Source
β-bisaboleneUniProt
Manual XrefsDatabases
HMDB0035992HMDB
Registry NumbersSources
Reaxys:2044624Reaxys
Citations