caryophyllene oxide (CHEBI:67818)

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ChEBI Name	caryophyllene oxide

ChEBI ID	CHEBI:67818

Definition	A natural product found in Cupania cinerea.

Stars	This entity has been manually annotated by a third party.

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C15H24O

Net Charge

Average Mass

220.35050

Monoisotopic Mass

220.18272

InChI

InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1

InChIKey

NVEQFIOZRFFVFW-RGCMKSIDSA-N

SMILES

[H][C@@]12CCC(=C)[C@@]3([H])CC(C)(C)[C@]3([H])CC[C@@]1(C)O2

Metabolite of Species	Details
Cupania cinerea (NCBI:txid298314)	Found in bark (BTO:0001301). Crude n-hexane extract of dried and powdered bark See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	caryophyllene oxide (CHEBI:67818) has role metabolite (CHEBI:25212) caryophyllene oxide (CHEBI:67818) is a epoxide (CHEBI:32955)

Synonyms	Sources
(-)-Epoxycaryophyllene	ChEBI
(1R,4R,6R,10S)-9-Methylene-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0(4,6)]dodecane	ChEBI
Caryophyllene oxide	KEGG COMPOUND

Citation

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:ether(CHEBI:25698);