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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:24 UTC
Update Date2025-03-25 00:50:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183929
Frequency0.5
Structure
Chemical FormulaC17H15ClO7S
Molecular Mass398.0227
SMILESO=C1CCC(Cc2ccc(Oc3ccc(Cl)cc3OS(=O)(=O)O)cc2)O1
InChI KeyCLTBBEOLUGOGBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acid esters
  • chlorobenzenes
  • diarylethers
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • lactone
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • gamma butyrolactone
  • aryl halide
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • sulfate-ester
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound