Humulene epoxide I (CHEBI:195963)

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	Humulene epoxide I

ChEBI ID	CHEBI:195963

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O

Net Charge

Average Mass

220.356

Monoisotopic Mass

220.18272

InChI

InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8+

InChIKey

QTGAEXCCAPTGLB-ZYEZJADKSA-N

SMILES

O1C2(C1CCC(=CCC(C=CC2)(C)C)C)C

ChEBI Ontology
Outgoing	Humulene epoxide I (CHEBI:195963) is a epoxide (CHEBI:32955)

IUPAC Name

(3Z,7E)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene