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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:32 UTC
Update Date2025-03-25 00:52:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191058
Frequency0.5
Structure
Chemical FormulaC16H16N2O4
Molecular Mass300.111
SMILESC=CC12CN(O1)C(C(O)c1c[nH]c3ccccc13)C2C(=O)O
InChI KeyAKAWQDGXLPEYGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoxazolidines
  • monocarboxylic acids and derivatives
  • n-organohydroxylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrroles
  • pyrrolidine carboxylic acids
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • carbonyl group
  • carboxylic acid
  • indole
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • isoxazolidine
  • n-organohydroxylamine
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound