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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:30 UTC
Update Date2025-03-21 18:34:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101766
Frequency26.8
Structure
Chemical FormulaC8H10O6S
Molecular Mass234.0198
SMILESCOc1cccc(OCOS(=O)(=O)O)c1
InChI KeyZCUOCGQNBMMBOR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alkyl sulfates
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • organic sulfuric acid or derivatives
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound