<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 09:49:41 UTC</creation_date>
  <update_date>2026-08-30 11:24:30 UTC</update_date>
  <accession/>
  <common_name>(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid</common_name>
  <class>SmallMolecule</class>
  <description>(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid belongs to the flavonoid glycosides, a subclass of flavonoids within the organic compounds. This compound has the chemical formula C22H20O10 and an average molecular weight of 444.40 g/mol. It is further classified within the superclass of phenylpropanoids and polyketides.

The compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with capacitors, cell phones, batteries, printed circuit boards, wires and cables, and one additional source. It is also found in synthetic textiles, carpets and rugs within the textiles, leather and furnishings sector. Other recorded sources include food packaging from the food, food processing and cookware sector, medical devices from the healthcare, pharmaceuticals and veterinary products sector, and lubricants from both the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector, along with one further sector. Recorded routes of exposure for this substance include touch, oral, and inhalation.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C22H20O10</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>444.1056468</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O</smiles>
  <inchi>InChI=1S/C22H20O10/c1-29-14-5-3-2-4-12(14)16-9-13(23)11-7-6-10(8-15(11)31-16)30-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22?/m0/s1</inchi>
  <inchikey>GIBGBAIGIFSNRL-QAKXDBDYSA-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>1.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>444.1056468</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C22H20O10</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C22H20O10/c1-29-14-5-3-2-4-12(14)16-9-13(23)11-7-6-10(8-15(11)31-16)30-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22?/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GIBGBAIGIFSNRL-QAKXDBDYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72441076c0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>154699613</pubchem_compound_id>
  <chembl_id/>
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  <wikipidia/>
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</compound>
