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<compound>
  <version>1.0</version>
  <creation_date>2026-09-01 10:36:08 UTC</creation_date>
  <update_date>2026-09-01 10:36:08 UTC</update_date>
  <accession/>
  <common_name>2-hydroxy-3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid</common_name>
  <class>SmallMolecule</class>
  <description>2-hydroxy-3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid is a chemical compound with the formula C7H12O6S. It has an average molecular weight of 224.23 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C7H12O6S</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>224.0354593</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CC(=C)C(=O)OCC(CS(=O)(=O)O)O</smiles>
  <inchi>InChI=1S/C7H12O6S/c1-5(2)7(9)13-3-6(8)4-14(10,11)12/h6,8H,1,3-4H2,2H3,(H,10,11,12)</inchi>
  <inchikey>SQVSEQUIWOQWAH-UHFFFAOYSA-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>-0.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>224.0354593</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(=C)C(=O)OCC(CS(=O)(=O)O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H12O6S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H12O6S/c1-5(2)7(9)13-3-6(8)4-14(10,11)12/h6,8H,1,3-4H2,2H3,(H,10,11,12)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SQVSEQUIWOQWAH-UHFFFAOYSA-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/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726f0b5020&gt;</health_effects>
  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6453749</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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