CHEBI:228331 - alpha-Humulene epoxide

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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 alpha-Humulene epoxide
ChEBI ID CHEBI:228331
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O
Net Charge 0
Average Mass 220.356
Monoisotopic Mass 220.18272
InChI InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+/t13-,15-/m1/s1
InChIKey RKQDKXOBRXTSFS-UOAUIWSESA-N
SMILES O1[C@]2([C@]1(CC(C)(C)C=CCC(=CCC2)C)[H])C
ChEBI Ontology
Outgoing alpha-Humulene epoxide (CHEBI:228331) is a epoxide (CHEBI:32955)
IUPAC Name
(1R,4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene
Manual Xref Database
16737086 ChemSpider
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