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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:37 UTC
Update Date2025-03-25 00:47:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159346
Frequency0.5
Structure
Chemical FormulaC7H7ClO5S
Molecular Mass237.9703
SMILESO=S(=O)(O)OCOc1ccccc1Cl
InChI KeyQGCKLCOGJUGRCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • aryl chlorides
  • chlorobenzenes
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • aryl chloride
  • chlorobenzene
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • organochloride
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound