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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:33 UTC
Update Date2025-03-25 00:57:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227806
Frequency0.5
Structure
Chemical FormulaC9H12O3S
Molecular Mass200.0507
SMILESCC(=O)C1=C(C)C(C(=O)O)CCS1
InChI KeyUHLBGNMZOVHMLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiopyrans
Subclass thiopyrans
Direct Parent thiopyrans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carboxylic acids
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • thioenol ethers
    • Substituents
  • carbonyl group
  • carboxylic acid
  • thiopyran
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • thioenolether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound