<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">84063</id>
  <title nil="true"/>
  <common-name>Furostilbestrol</common-name>
  <description nil="true"/>
  <cas>549-40-6</cas>
  <pubchem-id>68362</pubchem-id>
  <chemical-formula>C28H24O6</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">2026-04-04T19:46:48Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:38:39Z</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>DB20843</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>CC\C(=C(\CC)C1=CC=C(OC(=O)C2=CC=CO2)C=C1)C1=CC=C(OC(=O)C2=CC=CO2)C=C1</moldb-smiles>
  <moldb-formula>C28H24O6</moldb-formula>
  <moldb-inchi>InChI=1/C28H24O6/c1-3-23(19-9-13-21(14-10-19)33-27(29)25-7-5-17-31-25)24(4-2)20-11-15-22(16-12-20)34-28(30)26-8-6-18-32-26/h5-18H,3-4H2,1-2H3</moldb-inchi>
  <moldb-inchikey>VUDMUAVGKIZQRY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">456.494</moldb-average-mass>
  <moldb-mono-mass type="decimal">456.1572885</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM079956</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00043914</susdat-id>
  <iupac nil="true"/>
  <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>Phenylpropanoids and polyketides</superklass>
  <klass>Stilbenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0116286</sync-id>
  <structure-inchikey>VUDMUAVGKIZQRY-WCWDXBQESA-N</structure-inchikey>
  <structure-fingerprint>800000000000000040000000000000000000000000000000000002000000200000000000000000000000000000000000002000000000000000000000001000000000000400000020800000000100000200000000000000001000010000000000000020000000200000000000000000000000000000000000100040200000800000000000000000000000000000000000400000000000000200000000000000000000084000000000000002002000000000000000000000000000000000000000000000000000000000004000800040000220000000000000000000000000000040000000000402000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������"���%���€���`�������`�������(�������(�������`�������`������@(������@h�������@h�������@(�������(�������(�������(������@(������@h�������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@(�������(�������(�������(������@(������@h�������@h�������@h�������@(������@h�������@h����������������*�������������� ��h���h��	h�	
 
� ��(�� �h���h���h���h�	�h���h��� ��h���h���h��� �� ��(��� ��h���h���h���h�� h� !h���h�!�h��h���h�B�������	������������ !�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:29:29Z</structure-indexed-at>
</compound>
