<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">11896</id>
  <title nil="true"/>
  <common-name>9-Octadecenoic acid (9Z)-, 2,2-bis[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl ester</common-name>
  <description nil="true"/>
  <cas>19321-40-5</cas>
  <pubchem-id>6436503</pubchem-id>
  <chemical-formula>C77H140O8</chemical-formula>
  <weight>1193.9</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">2016-05-19T03:28:11Z</created-at>
  <updated-at type="dateTime">2026-04-17T15:57:30Z</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(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC</moldb-smiles>
  <moldb-formula>C77H140O8</moldb-formula>
  <moldb-inchi>InChI=1S/C77H140O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-72H2,1-4H3/b37-33-,38-34-,39-35-,40-36-</moldb-inchi>
  <moldb-inchikey>QTIMEBJTEBWHOB-PMDAXIHYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1193.959</moldb-average-mass>
  <moldb-mono-mass type="decimal">1193.054821468</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4941134</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>CHEM010791</chemdb-id>
  <dsstox-id>DTXSID80893371</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00008229</stoff-ident-id>
  <susdat-id>NS00005594</susdat-id>
  <iupac>3-[(9Z)-octadec-9-enoyloxy]-2,2-bis({[(9Z)-octadec-9-enoyloxy]methyl})propyl (9Z)-octadec-9-enoate</iupac>
</compound>
