Humulene epoxide II (CHEBI:195961)

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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 II

ChEBI ID	CHEBI:195961

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+/t13-,15-/m1/s1

InChIKey

QTGAEXCCAPTGLB-UOAUIWSESA-N

SMILES

O1[C@]2([C@]1(CCC(=CCC(C=CC2)(C)C)C)[H])C

ChEBI Ontology
Outgoing	Humulene epoxide II (CHEBI:195961) is a epoxide (CHEBI:32955)

IUPAC Name

(1R,3E,7E,11R)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene