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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:30 UTC
Update Date2025-03-25 01:00:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241262
Frequency0.5
Structure
Chemical FormulaC9H8N2O2S
Molecular Mass208.0306
SMILESCC(=O)Nc1c(O)cccc1N=C=S
InChI KeyGAGYDSIHGRTJLO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • isothiocyanates
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • isothiocyanate
  • carbonyl group
  • n-acetylarylamine
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • organosulfur compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • acetanilide
  • organic 1,3-dipolar compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound