<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">71189</id>
  <title nil="true"/>
  <common-name>Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dichloro-3',6'-dihydroxy-</common-name>
  <description nil="true"/>
  <cas>2320-96-9</cas>
  <pubchem-id>75349</pubchem-id>
  <chemical-formula>C20H10Cl2O5</chemical-formula>
  <weight>401.2</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">2026-04-03T18:13:19Z</created-at>
  <updated-at type="dateTime">2026-08-20T04:26:16Z</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>OC1=CC=C2C(OC3=C(C=CC(O)=C3Cl)C22OC(=O)C3=CC=CC=C23)=C1Cl</moldb-smiles>
  <moldb-formula>C20H10Cl2O5</moldb-formula>
  <moldb-inchi>InChI=1S/C20H10Cl2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H</moldb-inchi>
  <moldb-inchikey>WLHLYHWMNUCWEV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">401.2</moldb-average-mass>
  <moldb-mono-mass type="decimal">399.990529</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>67886</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>CHEM067082</chemdb-id>
  <dsstox-id>DTXSID2062327</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00027379</susdat-id>
  <iupac>4',5'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one</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"/>
</compound>
