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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:44:21 UTC
Update Date2025-03-21 18:00:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00025146
Frequency153.9
Structure
Chemical FormulaC10H12O5S
Molecular Mass244.0405
SMILESC=CCc1ccc(OCOS(=O)(=O)O)cc1
InChI KeyBXQMHKPMUSNRRJ-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
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound