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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:44 UTC
Update Date2025-03-25 00:50:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180202
Frequency0.5
Structure
Chemical FormulaC9H10O5S
Molecular Mass230.0249
SMILESCOc1cc(C=O)ccc1OS(C)(=O)=O
InChI KeyZNASTXYIFMYILW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzaldehydes
  • benzoyl derivatives
  • hydrocarbon derivatives
  • methanesulfonates
  • methoxybenzenes
  • organic oxides
  • organosulfonic acid esters
  • phenoxy compounds
  • sulfonic acid esters
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • ether
  • benzoyl
  • alkyl aryl ether
  • organosulfur compound
  • sulfonic acid ester
  • organic oxide
  • aryl-aldehyde
  • aldehyde
  • methoxybenzene
  • organosulfonic acid ester
  • aromatic homomonocyclic compound
  • methanesulfonate
  • benzaldehyde
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound