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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:05 UTC
Update Date2025-03-21 18:02:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00036341
Frequency97.4
Structure
Chemical FormulaC9H12O6S
Molecular Mass248.0355
SMILESCOc1cc(CCOS(=O)(=O)O)ccc1O
InChI KeyFKUQOBYYUITIDI-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
  • alkyl sulfates
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • sulfuric acid monoesters
  • tyrosols and derivatives
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • organic sulfuric acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • tyrosol derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound