Carylophyllene Oxide (CHEBI:177761)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Carylophyllene Oxide

ChEBI ID	CHEBI:177761

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O

Net Charge

Average Mass

206.329

Monoisotopic Mass

206.16707

InChI

InChI=1S/C14H22O/c1-9-7-12-14(4,15-12)6-5-11-10(9)8-13(11,2)3/h10-12H,1,5-8H2,2-4H3/t10-,11-,12?,14?/m1/s1

InChIKey

AMTSLHRSERHBCF-IBQNZTRDSA-N

SMILES

O1C2(C1CC([C@@]3([C@](C(C3)(C)C)(CC2)[H])[H])=C)C

Metabolite of Species	Details
Sus scrofa (NCBI:txid9823)	Found in sausage (ENVO:00002166). See: MetaboLights Study

ChEBI Ontology
Outgoing	Carylophyllene Oxide (CHEBI:177761) is a epoxide (CHEBI:32955)

IUPAC Name

(1S,9R)-6,10,10-trimethyl-2-methylidene-5-oxatricyclo[7.2.0.04,6]undecane