<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-22 09:09:56 UTC</creation_date>
  <update_date>2026-08-22 09:09:56 UTC</update_date>
  <accession/>
  <common_name>[2-(4-methoxyphenyl)-2-oxoethyl] (2z,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate</common_name>
  <class>SmallMolecule</class>
  <description>[2-(4-methoxyphenyl)-2-oxoethyl] (2z,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate belongs to the retinoids, a subclass of prenol lipids within the organic compounds. This compound is classified under the superclass of lipids and lipid-like molecules. It has the chemical formula C29H36O4 and an average molecular weight of 448.60 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C29H36O4</chemical_formula>
  <average_molecular_weight>448.6</average_molecular_weight>
  <monisotopic_moleculate_weight>448.2613596</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>127471-94-7</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C29H36O4/c1-21(12-17-26-23(3)11-8-18-29(26,4)5)9-7-10-22(2)19-28(31)33-20-27(30)24-13-15-25(32-6)16-14-24/h7,9-10,12-17,19H,8,11,18,20H2,1-6H3/b10-7+,17-12+,21-9+,22-19-</inchi>
  <inchikey>YDBCQZCJDPGBBE-BVYOMHTDSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <substituents/>
    <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>8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>448.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>448.2613596</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C29H36O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C29H36O4/c1-21(12-17-26-23(3)11-8-18-29(26,4)5)9-7-10-22(2)19-28(31)33-20-27(30)24-13-15-25(32-6)16-14-24/h7,9-10,12-17,19H,8,11,18,20H2,1-6H3/b10-7+,17-12+,21-9+,22-19-</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YDBCQZCJDPGBBE-BVYOMHTDSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
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  <hmdb_id/>
  <pubchem_compound_id>15029724</pubchem_compound_id>
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  <wikipidia/>
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