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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:24 UTC
Update Date2025-03-25 00:47:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163354
Frequency0.5
Structure
Chemical FormulaC12H11NO4
Molecular Mass233.0688
SMILESO=C(O)C(Cc1cc2ccccc2[nH]1)C(=O)O
InChI KeyJYXRXHORGJMXOP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • indole
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound