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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:32 UTC
Update Date2025-03-25 00:55:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214163
Frequency0.5
Structure
Chemical FormulaC15H15NO2S
Molecular Mass273.0824
SMILESC=CC1=C(C)C(=C2NC(=O)C(C=C)=C2C)SCC1=O
InChI KeyKQZLFUCDSIUVME-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiopyrans
Subclass thiopyrans
Direct Parent thiopyrans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolines
  • secondary carboxylic acid amides
  • thioenol ethers
    • Substituents
  • carbonyl group
  • lactam
  • azacycle
  • cyclic ketone
  • carboxamide group
  • thiopyran
  • carboxylic acid derivative
  • ketone
  • secondary carboxylic acid amide
  • organic oxide
  • thioenolether
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound