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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:23 UTC
Update Date2025-03-25 00:50:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183907
Frequency0.5
Structure
Chemical FormulaC10H10O5S
Molecular Mass242.0249
SMILESO=C1CCc2cc(OS(=O)O)cc(O)c2C1
InChI KeyKEEPZBGFCAHGMQ-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
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • tetralin
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • cyclic ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound