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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:27 UTC
Update Date2025-03-21 18:39:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125724
Frequency20.4
Structure
Chemical FormulaC10H12O6S
Molecular Mass260.0355
SMILESO=S(=O)(O)OC1CCc2c(O)cc(O)cc2C1
InChI KeyWZKSBMWCRLDOIT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl sulfates
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • sulfuric acid monoesters
    • Substituents
  • tetralin
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound