<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">10908</id>
  <title nil="true"/>
  <common-name>Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione</common-name>
  <description nil="true"/>
  <cas>128-64-3</cas>
  <pubchem-id>67189</pubchem-id>
  <chemical-formula>C34H16O2</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">2016-05-19T03:11:24Z</created-at>
  <updated-at type="dateTime">2026-04-03T08:51:30Z</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>O=C1C2=CC=CC=C2C2=C3C1=CC=C1C4=CC=C5C6=CC=CC=C6C(=O)C6=C5C4=C(C=C6)C(C=C2)=C31</moldb-smiles>
  <moldb-formula>C34H16O2</moldb-formula>
  <moldb-inchi>InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H</moldb-inchi>
  <moldb-inchikey>BSIHWSXXPBAGTC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">456.5</moldb-average-mass>
  <moldb-mono-mass type="decimal">456.115029755</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>60532</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>CHEM009803</chemdb-id>
  <dsstox-id>DTXSID6059576</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00020974</susdat-id>
  <iupac>nonacyclo[18.10.2.2²,⁵.0³,¹⁶.0⁴,¹³.0⁶,¹¹.0¹⁷,³¹.0²¹,²⁶.0²⁸,³²]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,21,23,25,28(32),29,33-hexadecaene-12,27-dione</iupac>
</compound>
