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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:22 UTC
Update Date2025-03-25 00:56:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218352
Frequency0.5
Structure
Chemical FormulaC10H15NO2S
Molecular Mass213.0824
SMILESCc1cccc(C)c1S(=O)(=O)N(C)C
InChI KeyJJQOXFVRJGZPBX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • benzenesulfonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • m-xylenes
  • Substituents
  • organosulfonic acid or derivatives
  • benzenesulfonamide
  • aminosulfonyl compound
  • m-xylene
  • organosulfur compound
  • organosulfonic acid amide
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • benzenesulfonyl group