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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:52:39 UTC
Update Date2025-03-24 21:22:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01760308
Frequency0.7
Structure
Chemical FormulaC6H6O2S
Molecular Mass142.0088
SMILESCC1=C(C)C(=O)C(=O)S1
InChI KeyBSNRWGIMMPYNIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrothiophenes
Subclass dihydrothiophenes
Direct Parent dihydrothiophenes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbothioic s-lactones
  • carboxylic acids and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • thioesters
  • thiolactones
    • Substituents
  • carbothioic s-lactone
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • 2,3-dihydrothiophene
  • thiocarboxylic acid ester
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • thiolactone
  • organooxygen compound