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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:19 UTC
Update Date2025-03-25 00:50:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181543
Frequency0.5
Structure
Chemical FormulaC10H14O4S
Molecular Mass230.0613
SMILESO=C(O)CCCCC1=CC(=O)C(O)CS1
InChI KeyMUUCISRWDFMEJJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carboxylic acids
  • cyclic ketones
  • fatty acyls
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • thioenol ethers
  • thiopyrans
  • vinylogous thioesters
    • Substituents
  • alcohol
  • fatty acyl
  • vinylogous thioester
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • cyclic ketone
  • thiopyran
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • thioenolether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organoheterocyclic compound
  • organooxygen compound