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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:10 UTC
Update Date2025-03-25 00:45:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149179
Frequency0.5
Structure
Chemical FormulaC10H7NO3
Molecular Mass189.0426
SMILESO=C(O)C(=O)C1C=Nc2ccccc21
InChI KeyRFJSHMLKTJERCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha-keto acids and derivatives
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • hydrocarbon derivatives
  • imines
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • indole
  • imine
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • keto acid
  • organonitrogen compound
  • alpha-keto acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound