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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:28 UTC
Update Date2025-03-25 00:50:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181878
Frequency0.5
Structure
Chemical FormulaC13H13NO4
Molecular Mass247.0845
SMILESO=C(O)C(CCn1ccc2ccccc21)C(=O)O
InChI KeyWWBWMTYZOCPKQB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass n-alkylindoles
Direct Parent n-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • substituted pyrroles
    • Substituents
  • carbonyl group
  • n-alkylindole
  • carboxylic acid
  • azacycle
  • indole
  • heteroaromatic compound
  • substituted pyrrole
  • 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