<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">102208</id>
  <title nil="true"/>
  <common-name>3,7,7-Trimethyl-4-(octylthio)bicyclo[4.1.0]heptan-3-ol</common-name>
  <description>3,7,7-Trimethyl-4-(octylthio)bicyclo[4.1.0]heptan-3-ol belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This lipid-like molecule has the formula C18H34OS and an average molecular weight of 298.53 g/mol.</description>
  <cas>85187-15-1</cas>
  <pubchem-id>44147418</pubchem-id>
  <chemical-formula>C18H34OS</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">2026-04-05T09:19:51Z</created-at>
  <updated-at type="dateTime">2026-04-05T09:19:51Z</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>CCCCCCCCSC1CC2C(CC1(C)O)C2(C)C</moldb-smiles>
  <moldb-formula>C18H34OS</moldb-formula>
  <moldb-inchi>InChI=1/C18H34OS/c1-5-6-7-8-9-10-11-20-16-12-14-15(17(14,2)3)13-18(16,4)19/h14-16,19H,5-13H2,1-4H3</moldb-inchi>
  <moldb-inchikey>LGBTXVVFHLNTQB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">298.53</moldb-average-mass>
  <moldb-mono-mass type="decimal">298.2330367</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM098101</chemdb-id>
  <dsstox-id>DTXSID401005635</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00065612</susdat-id>
  <iupac nil="true"/>
  <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>CED0101844</sync-id>
  <structure-inchikey>LGBTXVVFHLNTQB-UHFFFAOYSA-N</structure-inchikey>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:40:17Z</structure-indexed-at>
</compound>
