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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:49 UTC
Update Date2025-03-25 00:53:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200856
Frequency0.5
Structure
Chemical FormulaC16H18N2O4
Molecular Mass302.1267
SMILESCOc1ccc2[nH]cc(CCN3CC(C(=O)O)CC3=O)c2c1
InChI KeyGJXGBNDQHLFKBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine carboxylic acids
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • phenol ether
  • carbonyl group
  • ether
  • lactam
  • carboxylic acid
  • indole
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyrrolidine carboxylic acid
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • carboxamide group
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound