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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:39 UTC
Update Date2025-03-25 00:46:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157222
Frequency0.5
Structure
Chemical FormulaC11H10N2O3S
Molecular Mass250.0412
SMILESO=C1NC(=S)NC(Cc2ccc(O)cc2)C1=O
InChI KeyOKGLKVPXXOWXPF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • carboxylic acids and derivatives
  • cyclic ketones
  • diazinanes
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • thioureas
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • thiourea
  • aromatic heteromonocyclic compound
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic ketone
  • organosulfur compound
  • carboxylic acid derivative
  • ketone
  • 1,3-diazinane
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound