(E)-2-epi-beta-caryophyllene (CHEBI:68667)

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ChEBI Name	*(E)-2-epi-β-caryophyllene*

ChEBI ID	CHEBI:68667

ChEBI ASCII Name	(E)-2-epi-beta-caryophyllene

Definition	A sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a cis-ring junction, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11.

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

Submitter	KAX Tereza Calounova

Secondary ChEBI IDs	CHEBI:172932

Supplier Information

Download	Molfile XML SDF

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Formula

C15H24

Net Charge

Average Mass

204.35110

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1

InChIKey

NPNUFJAVOOONJE-QWAJQTJBSA-N

SMILES

[H][C@@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C

Metabolite of Species	Details
Euryops arabicus (IPNI:207382-1)	Found in aerial part (BTO:0001658). See: PubMed
Vernonia albicans (IPNI:257761-1)	Found in aerial part (BTO:0001658). See: PubMed
Eucalyptus benthamii (NCBI:txid1711175)	See: PubMed

Roles Classification
Biological Role(s):	volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil.

ChEBI Ontology
Outgoing	(E)-2-epi-β-caryophyllene (CHEBI:68667) has role volatile oil component (CHEBI:27311) (E)-2-epi-β-caryophyllene (CHEBI:68667) is a ortho-fused bicyclic hydrocarbon (CHEBI:35428) (E)-2-epi-β-caryophyllene (CHEBI:68667) is a sesquiterpene (CHEBI:35189)

IUPAC Name

(1R,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

Registry Number	Type	Source
2501578	Reaxys Registry Number	Reaxys

Last Modified

04 February 2022