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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:12 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172035
Frequency0.5
Structure
Chemical FormulaC7H9NOS
Molecular Mass155.0405
SMILESCNC(=O)c1sccc1C
InChI KeyIZVOABGHDNEODE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass thiophene carboxylic acids and derivatives
Direct Parent thiophene carboxamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • thiophene carboxamide
  • 2-heteroaryl carboxamide
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound