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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:53 UTC
Update Date2025-03-21 18:41:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136082
Frequency18.4
Structure
Chemical FormulaC10H14O6S
Molecular Mass262.0511
SMILESCOc1cc(C(CO)OS(C)(=O)=O)ccc1O
InChI KeyHNWSFJROPPMPHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methanesulfonates
  • methoxybenzenes
  • organic oxides
  • organosulfonic acid esters
  • phenoxy compounds
  • primary alcohols
  • sulfonic acid esters
  • sulfonyls
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organosulfur compound
  • sulfonic acid ester
  • organic oxide
  • primary alcohol
  • alcohol
  • methoxybenzene
  • organosulfonic acid ester
  • aromatic homomonocyclic compound
  • methanesulfonate
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound