<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">46230</id>
  <title nil="true"/>
  <common-name>(1R)-1-[(4R,4aR,8aS)-2,6-bis(4-chlorophenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol</common-name>
  <description nil="true"/>
  <cas>82203-23-4</cas>
  <pubchem-id>139598092</pubchem-id>
  <chemical-formula>C21H22Cl2O6</chemical-formula>
  <weight>441.3</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">2016-06-03T12:51:10Z</created-at>
  <updated-at type="dateTime">2026-04-17T19:20:15Z</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>CC1(OC(OC2COC(OC12)C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1)C(O)CO</moldb-smiles>
  <moldb-formula>C21H22Cl2O6</moldb-formula>
  <moldb-inchi>InChI=1S/C21H22Cl2O6/c1-21(17(25)10-24)18-16(27-20(29-21)13-4-8-15(23)9-5-13)11-26-19(28-18)12-2-6-14(22)7-3-12/h2-9,16-20,24-25H,10-11H2,1H3</moldb-inchi>
  <moldb-inchikey>YULFFYZCWUUTNC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">441.3</moldb-average-mass>
  <moldb-mono-mass type="decimal">440.0793438</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>34991025</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>CHEM045125</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00007228</stoff-ident-id>
  <susdat-id>NS00007542</susdat-id>
  <iupac>1-[2,6-bis(4-chlorophenyl)-4-methyl-hexahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol</iupac>
</compound>
