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<compound>
  <version>1.0</version>
  <creation_date>2026-08-20 01:30:46 UTC</creation_date>
  <update_date>2026-08-20 01:30:46 UTC</update_date>
  <accession/>
  <common_name>(9z,12e)-12-nitrooctadeca-9,12-dienoic acid</common_name>
  <class>SmallMolecule</class>
  <description>(9z,12e)-12-nitrooctadeca-9,12-dienoic acid belongs to the lineolic acids and derivatives, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C18H31NO4 and an average molecular weight of 325.40 g/mol. It is categorized under the superclass of lipids and lipid-like molecules.

The compound has been found in or released from three recorded sources, specifically electrical and electronic equipment including antennas, amplifiers, and line transmission systems.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C18H31NO4</chemical_formula>
  <average_molecular_weight>325.4</average_molecular_weight>
  <monisotopic_moleculate_weight>325.2253085</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
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  <smiles/>
  <inchi>InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,20,21)/b12-9-,17-14+</inchi>
  <inchikey>ZYFTUIURWQWFKQ-QIAGQCQHSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>6.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>325.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>325.2253085</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C18H31NO4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,20,21)/b12-9-,17-14+</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZYFTUIURWQWFKQ-QIAGQCQHSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7223b75150&gt;</health_effects>
  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>5282316</pubchem_compound_id>
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