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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:54 UTC
Update Date2025-03-21 18:31:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00085906
Frequency33.2
Structure
Chemical FormulaC7H7NO2S
Molecular Mass169.0197
SMILESO=S1(=O)Cc2ccccc2N1
InChI KeyOJWMDOIYUCEXNF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazoles
Subclass benzothiazoles
Direct Parent benzothiazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • organosulfonic acid or derivatives
  • azacycle
  • 1,2-benzothiazole
  • organosulfonic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic sulfonic acid amide