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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:28 UTC
Update Date2025-03-25 00:53:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200044
Frequency0.5
Structure
Chemical FormulaC13H6Cl3NO5S
Molecular Mass392.9032
SMILESN#Cc1cc(Cl)c(Oc2ccc(Cl)cc2OS(=O)(=O)O)cc1Cl
InChI KeyNLVLGMHJTQTLBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • benzonitriles
  • diarylethers
  • dichlorobenzenes
  • hydrocarbon derivatives
  • nitriles
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • ether
  • nitrile
  • organochloride
  • organohalogen compound
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • carbonitrile
  • aryl chloride
  • chlorobenzene
  • organic sulfuric acid or derivatives
  • 1,4-dichlorobenzene
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound