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<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 16:53:04 UTC</creation_date>
  <update_date>2026-08-26 00:05:50 UTC</update_date>
  <accession/>
  <common_name>2-Nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid</common_name>
  <class>SmallMolecule</class>
  <description>2-Nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is an organic compound with the formula C9H9NO6 and an average molecular weight of 227.17 g/mol. 2-Nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds.

This substance has been identified in or released from four recorded sources. These include household cleaning and consumer products such as tobacco pipes, as well as building and construction materials specifically related to ceilings. Additionally, it is found in sources associated with food, food processing, and cookware, including cellar tools and the treatment of hops.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C9H9NO6</chemical_formula>
  <average_molecular_weight>227.17</average_molecular_weight>
  <monisotopic_moleculate_weight>227.042987</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>308067-45-0</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C9H9NO6/c11-7(12)6-4-1-2-5(3-4)9(6,8(13)14)10(15)16/h1-2,4-6H,3H2,(H,11,12)(H,13,14)</inchi>
  <inchikey>QJZYHAIUNVAGQP-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>227.17</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>227.042987</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H9NO6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H9NO6/c11-7(12)6-4-1-2-5(3-4)9(6,8(13)14)10(15)16/h1-2,4-6H,3H2,(H,11,12)(H,13,14)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QJZYHAIUNVAGQP-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727f9fc6c8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>90472028</pubchem_compound_id>
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  <biocyc_id/>
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  <wikipidia/>
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