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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:02 UTC
Update Date2025-03-25 00:50:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183126
Frequency0.5
Structure
Chemical FormulaC10H12O5S
Molecular Mass244.0405
SMILESO=S(=O)(O)c1ccc2c(c1)CC(O)C(O)C2
InChI KeyPKLYPCBIOWNJGF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-sulfo,2-unsubstituted aromatic compounds
  • arylsulfonic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organosulfonic acids
  • secondary alcohols
  • sulfonyls
    • Substituents
  • alcohol
  • tetralin
  • organosulfonic acid or derivatives
  • 1-sulfo,2-unsubstituted aromatic compound
  • organosulfonic acid
  • aromatic homopolycyclic compound
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • arylsulfonic acid or derivatives
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol