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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:13 UTC
Update Date2025-03-21 18:41:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00132303
Frequency19.1
Structure
Chemical FormulaC7H5NO3S
Molecular Mass182.999
SMILESO=C1c2ccccc2NS1(=O)=O
InChI KeyLGUUWALDASRRMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazoles
Subclass benzothiazoles
Direct Parent benzothiazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • thiolactones
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • azacycle
  • carboxylic acid derivative
  • 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
  • thiolactone
  • organooxygen compound