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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:28 UTC
Update Date2025-03-25 00:47:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161224
Frequency0.5
Structure
Chemical FormulaC14H17N3O4
Molecular Mass291.1219
SMILESNC(Cc1c[nH]c2ccccc12)NC(=O)CC(O)C(=O)O
InChI KeyRSTHYZWNDUUTJT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • indole
  • alpha-hydroxy acid
  • fatty amide
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxy acid
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound