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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:54 UTC
Update Date2025-03-25 00:47:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162205
Frequency0.5
Structure
Chemical FormulaC8H10O4S
Molecular Mass202.03
SMILESO=C(O)CC1CC(C(=O)O)=CCS1
InChI KeySXYHBDYLNSWWDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiopyrans
Subclass thiopyrans
Direct Parent thiopyrans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • dialkylthioether
  • thiopyran
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • thioether
  • aliphatic heteromonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound