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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:49 UTC
Update Date2025-03-21 18:33:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00095144
Frequency29.2
Structure
Chemical FormulaC8H10O7S
Molecular Mass250.0147
SMILESCc1cc(O)c(O)cc1C(O)OS(=O)(=O)O
InChI KeyULPQHEGSKBFEKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent meta cresols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl sulfates
  • aromatic alcohols
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • para cresols
  • sulfuric acid monoesters
  • toluenes
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • m-cresol
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • p-cresol
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • toluene
  • organooxygen compound