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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:42:13 UTC
Update Date2025-03-24 21:44:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01877480
Frequency0.6
Structure
Chemical FormulaC6H6OS
Molecular Mass126.0139
SMILESC=C1SC(C)=CC1=O
InChI KeyDIPNGPRZRJDQKN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous thioesters
Subclass vinylogous thioesters
Direct Parent vinylogous thioesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • dihydrothiophenes
  • hydrocarbon derivatives
  • organic oxides
  • thioenol ethers
    • Substituents
  • vinylogous thioester
  • carbonyl group
  • 2,3-dihydrothiophene
  • cyclic ketone
  • ketone
  • organic oxide
  • thioenolether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound