<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">68715</id>
  <title nil="true"/>
  <common-name>2,4,7-Trinitrofluoren-9-one</common-name>
  <description nil="true"/>
  <cas>129-79-3</cas>
  <pubchem-id>8521</pubchem-id>
  <chemical-formula>C13H5N3O7</chemical-formula>
  <weight>315.19</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">2026-04-03T13:05:18Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:39:22Z</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-][N+](=O)C1=CC2=C(C=C1)C1=C(C=C(C=C1C2=O)[N+]([O-])=O)[N+]([O-])=O</moldb-smiles>
  <moldb-formula>C13H5N3O7</moldb-formula>
  <moldb-inchi>InChI=1S/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H</moldb-inchi>
  <moldb-inchikey>VHQGURIJMFPBKS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">315.197</moldb-average-mass>
  <moldb-mono-mass type="decimal">315.01275</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8207</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>CHEM064608</chemdb-id>
  <dsstox-id>DTXSID1026245</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00024078</susdat-id>
  <iupac nil="true"/>
</compound>
