<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">23888</id>
  <title nil="true"/>
  <common-name>alpha-Humulene</common-name>
  <description nil="true"/>
  <cas>6753-98-6</cas>
  <pubchem-id>5281520</pubchem-id>
  <chemical-formula>C15H24</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-25T18:52:48Z</created-at>
  <updated-at type="dateTime">2026-04-03T08:46:56Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C\C1=C\CC(C)(C)\C=C/C\C(C)=C/CC1</moldb-smiles>
  <moldb-formula>C15H24</moldb-formula>
  <moldb-inchi>InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6-,13-7-,14-10-</moldb-inchi>
  <moldb-inchikey>FAMPSKZZVDUYOS-KXWHQPPKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">204.3511</moldb-average-mass>
  <moldb-mono-mass type="decimal">204.187800768</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4444853</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM022783</chemdb-id>
  <dsstox-id>DTXSID30858793</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00020870</susdat-id>
  <iupac>(1Z,4Z,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene</iupac>
</compound>
