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<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 04:19:45 UTC</creation_date>
  <update_date>2026-04-06 04:19:45 UTC</update_date>
  <accession/>
  <common_name>2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylpropyl)-, (S)-</common_name>
  <class>SmallMolecule</class>
  <description>2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylpropyl)-, (S)- belongs to the hydroxycoumarins, a subclass of coumarins and derivatives within the organic compounds. This phenylpropanoids and polyketides superclass member has the formula C18H16O3 and an average molecular weight of 280.32 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C18H16O3</chemical_formula>
  <average_molecular_weight>280.323</average_molecular_weight>
  <monisotopic_moleculate_weight>280.1099444</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>3770-63-6</cas_registry_number>
  <smiles>CC[C@@H](C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O</smiles>
  <inchi>InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m0/s1</inchi>
  <inchikey>DQDAYGKTZFIW-ZDUSSCGKSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <sub_class/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <state/>
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    <property>
      <kind>average_mass</kind>
      <value>280.323</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>280.1099444</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC[C@@H](C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C18H16O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DQDAYGKTZFIW-ZDUSSCGKSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <symptoms/>
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  <pubchem_compound_id>54681533</pubchem_compound_id>
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  <chemspider_id>20147857</chemspider_id>
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