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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:40 UTC
Update Date2025-03-25 00:50:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180034
Frequency0.5
Structure
Chemical FormulaC8H11NOS
Molecular Mass169.0561
SMILESCc1c(CCN)csc1C=O
InChI KeyKWWALSUHQDOUHY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass thiophene carboxylic acids and derivatives
Direct Parent thiophene carboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl-aldehydes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • aldehyde
  • thiophene carboxylic acid or derivatives
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound