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<compound>
  <id type="integer">120274</id>
  <title nil="true"/>
  <common-name>(+/-)3-Epi CP 47,497-C8-homolog</common-name>
  <description>(+/-)3-Epi CP 47,497-C8-homolog belongs to the cyclohexylphenols, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C22H36O2 and an average molecular weight of 332.53 g/mol.</description>
  <cas>1383941-93-2</cas>
  <pubchem-id>24066918</pubchem-id>
  <chemical-formula>C22H36O2</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">2026-04-06T03:07:43Z</created-at>
  <updated-at type="dateTime">2026-04-06T03:07:43Z</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>[H][C@@]1(CCC[C@H](O)C1)C1=C(O)C=C(C=C1)C(C)(C)CCCCCCC</moldb-smiles>
  <moldb-formula>C22H36O2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H36O2/c1-4-5-6-7-8-14-22(2,3)18-12-13-20(21(24)16-18)17-10-9-11-19(23)15-17/h12-13,16-17,19,23-24H,4-11,14-15H2,1-3H3/t17-,19-/m0/s1</moldb-inchi>
  <moldb-inchikey>HNMJDLVMIUDJNH-HKUYNNGSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">332.528</moldb-average-mass>
  <moldb-mono-mass type="decimal">332.2715304</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>29342252</chemspider-id>
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  <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>CHEM116167</chemdb-id>
  <dsstox-id>DTXSID501017954</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00096461</susdat-id>
  <iupac>2-[(1S,3S)-3-Hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Cyclohexylphenols</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0171016</sync-id>
  <structure-inchikey>HNMJDLVMIUDJNH-HKUYNNGSSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:44:46Z</structure-indexed-at>
</compound>
