Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:44 UTC
Update Date2025-03-21 18:38:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119370
Frequency21.8
Structure
Chemical FormulaC9H11NOS
Molecular Mass181.0561
SMILESCSc1ccccc1NC(C)=O
InChI KeyAMWFIKFWXRBICX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alkylarylthioethers
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • thiophenol ethers
  • thiophenols
  • Substituents
  • carbonyl group
  • n-acetylarylamine
  • n-arylamide
  • alkylarylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • aryl thioether
  • organic oxide
  • thiophenol
  • thiophenol ether
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • sulfenyl compound
  • acetanilide
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound