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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:19 UTC
Update Date2025-03-21 18:04:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048887
Frequency67.6
Structure
Chemical FormulaC11H14O6S
Molecular Mass274.0511
SMILESC=CCc1cc(OC)c(OS(=O)(=O)O)c(OC)c1
InChI KeyKAGQUDYHPFBSKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent phenylsulfates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • organic oxides
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • phenylsulfate
  • organic oxide
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound