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<compound>
  <id type="integer">62293</id>
  <title nil="true"/>
  <common-name>Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, acetate, (2E)-</common-name>
  <description>Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, acetate, (2E)- belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. It has the chemical formula C13H20O2 and an average molecular weight of 208.30 g/mol. This compound is further classified as part of the lipids and lipid-like molecules superclass.</description>
  <cas>58437-70-0;2226-03-1;58437-69-7</cas>
  <pubchem-id>6436714</pubchem-id>
  <chemical-formula>C13H20O2</chemical-formula>
  <weight>208.3</weight>
  <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">2026-03-31T21:48:46Z</created-at>
  <updated-at type="dateTime">2026-08-19T02:16:39Z</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>CC(=O)OC\C=C1/C2CCC(C2)C1(C)C</moldb-smiles>
  <moldb-formula>C13H20O2</moldb-formula>
  <moldb-inchi>InChI=1/C13H20O2/c1-9(14)15-7-6-12-10-4-5-11(8-10)13(12,2)3/h6,10-11H,4-5,7-8H2,1-3H3/b12-6+</moldb-inchi>
  <moldb-inchikey>DVZKEXVVDIXSMK-WUXMJOGZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">208.301</moldb-average-mass>
  <moldb-mono-mass type="decimal">208.14633</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>20143109</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>CHEM058186</chemdb-id>
  <dsstox-id>DTXSID801153597</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00012269</susdat-id>
  <iupac>[(2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl] acetate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0111842</sync-id>
  <structure-inchikey>DVZKEXVVDIXSMK-WUXMJOGZSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:15:22Z</structure-indexed-at>
</compound>
