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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:53 UTC
Update Date2025-03-25 00:50:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178278
Frequency0.5
Structure
Chemical FormulaC7H10O2S
Molecular Mass158.0402
SMILESCOC(=O)C1=C(C)SCC1
InChI KeyQJJPEOSHUVANCK-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
  • carbonyl compounds
  • dihydrothiophenes
  • enoate esters
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • thioenol ethers
    • Substituents
  • enoate ester
  • vinylogous thioester
  • carbonyl group
  • 2,3-dihydrothiophene
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • thioenolether
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound