<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">17808</id>
  <title nil="true"/>
  <common-name>Etretinate</common-name>
  <description nil="true"/>
  <cas>54350-48-0</cas>
  <pubchem-id>5282375</pubchem-id>
  <chemical-formula>C23H30O3</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">2016-05-22T03:41:00Z</created-at>
  <updated-at type="dateTime">2026-04-13T20:38:19Z</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>DB00926</drugbank-id>
  <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(=C(/[H])\C(\C)=C(/[H])C(=O)OCC)/C(/[H])=C(\C)/C(/[H])=C(\[H])C1=C(C)C=C(OC)C(C)=C1C</moldb-smiles>
  <moldb-formula>C23H30O3</moldb-formula>
  <moldb-inchi>InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+</moldb-inchi>
  <moldb-inchikey>HQMNCQVAMBCHCO-DJRRULDNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">354.49</moldb-average-mass>
  <moldb-mono-mass type="decimal">354.219494826</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4445538</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>CHEM016703</chemdb-id>
  <dsstox-id>DTXSID0023036</dsstox-id>
  <toxcast-id>23036</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010325</susdat-id>
  <iupac>ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate</iupac>
</compound>
