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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:02 UTC
Update Date2025-03-25 00:50:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183138
Frequency0.5
Structure
Chemical FormulaC15H9Cl2NO5S
Molecular Mass384.9578
SMILESO=S(=O)(O)Oc1cccc2c(Oc3ccc(Cl)cc3Cl)ccnc12
InChI KeyINJQNGURFGPDDM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aryl chlorides
  • arylsulfates
  • azacyclic compounds
  • chloroquinolines
  • dichlorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • polyhalopyridines
  • quinolines and derivatives
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • polyhalopyridine
  • organochloride
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • arylsulfate
  • 2-halopyridine
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • aryl halide
  • pyridine
  • chloroquinoline
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester