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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:13:40 UTC
Update Date2025-03-21 23:11:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00659515
Frequency2.4
Structure
Chemical FormulaC5H6O2S
Molecular Mass130.0088
SMILESCC1=CC(=O)OCS1
InChI KeyREAZFXZWTCHYST-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxathiins
Subclass oxathiins
Direct Parent oxathiins
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monothioacetals
  • organic oxides
  • oxacyclic compounds
  • thioenol ethers
  • vinylogous thioesters
    • Substituents
  • enoate ester
  • vinylogous thioester
  • carbonyl group
  • carboxylic acid derivative
  • monothioacetal
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • thioenolether
  • organic oxygen compound
  • 1,3-oxathiin
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound