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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:47 UTC
Update Date2025-03-21 18:34:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102451
Frequency26.6
Structure
Chemical FormulaC19H15Cl3O9
Molecular Mass491.9782
SMILESO=C(O)C1OC(C(=O)O)C(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)C(O)C1O
InChI KeyBXBLUNMXAWIPHO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl aryl ethers
  • aryl chlorides
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • diarylethers
  • dicarboxylic acids and derivatives
  • dichlorobenzenes
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • diaryl ether
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • organochloride
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • pyran carboxylic acid
  • dialkyl ether
  • 1,3-dichlorobenzene
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • aryl chloride
  • chlorobenzene
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound