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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:51 UTC
Update Date2025-03-21 18:36:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00109984
Frequency24.3
Structure
Chemical FormulaC11H9NO3
Molecular Mass203.0582
SMILESCC(=O)OC(=O)c1c[nH]c2ccccc12
InChI KeyBFJWHRWCTBMEFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indolecarboxylic acids and derivatives
Direct Parent indolecarboxylic acids and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acid anhydrides
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrole carboxylic acids and derivatives
  • vinylogous amides
  • Substituents
  • indolecarboxylic acid derivative
  • vinylogous amide
  • carbonyl group
  • azacycle
  • pyrrole-3-carboxylic acid or derivatives
  • indole
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • carboxylic acid anhydride
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound