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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:40 UTC
Update Date2025-03-25 01:01:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250927
Frequency0.5
Structure
Chemical FormulaC13H11NO5S
Molecular Mass293.0358
SMILESO=C(O)CCN1C(=O)SC(=Cc2ccc(O)cc2)C1=O
InChI KeyQTJQOIIEQRJZNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolidines
Subclass thiazolidines
Direct Parent thiazolidinediones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboximides
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • thiazolidines
  • thiocarbamic acid derivatives
  • thiolactones
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • thiazolidinedione
  • thiocarbamic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • dicarboximide
  • thiolactone
  • carbonic acid derivative
  • azacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound