beta-longipinene (CHEBI:192781)

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ChEBI Name	β-longipinene

ChEBI ID	CHEBI:192781

ChEBI ASCII Name	beta-longipinene

Definition	A bridged compound and sesquiterpene that is tricyclo[5.4.0.0^2,8]undecane that is substituted by methyl groups at positions 2, 6, and 6, and by a methylidene group at position 9.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Tereza Calounova

Supplier Information	ChemicalBook:CB21385737, ZINC000031350059

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.357

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h11-13H,1,5-9H2,2-4H3

InChIKey

DQOVXHMHLOWECL-UHFFFAOYSA-N

SMILES

CC12CCCC(C)(C)C3C1CCC(=C)C23

Metabolite of Species	Details
Senecio rufinervis (IPNI:247373-1)	Found in leaf (BTO:0000713). See: PubMed
Geigeria alata (NCBI:txid1548567)	Found in aerial part (BTO:0001658). See: DOI
Metacalypogeia alternifolia (NCBI:txid588654)	See: DOI
Laurus nobilis (NCBI:txid85223)	Found in berry (BTO:0000119). See: PubMed

Roles Classification
Biological Role(s):	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	β-longipinene (CHEBI:192781) has role plant metabolite (CHEBI:76924) β-longipinene (CHEBI:192781) is a bridged compound (CHEBI:35990) β-longipinene (CHEBI:192781) is a polycyclic olefin (CHEBI:35714) β-longipinene (CHEBI:192781) is a sesquiterpene (CHEBI:35189)

IUPAC Name

2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.0^2,8]undecane

Synonym	Source
beta-longipinene	ChEBI

Registry Number	Type	Source
41432-70-6	CAS Registry Number	NIST Chemistry WebBook

Citations

Last Modified

28 July 2022