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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:42 UTC
Update Date2025-03-25 00:58:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232604
Frequency0.5
Structure
Chemical FormulaC25H31N3O4
Molecular Mass437.2315
SMILESCCC1C(=O)NC(Cc2[nH]c(CC3C(O)=Nc4ccccc43)c(CCC(=O)O)c2C)C1C
InChI KeyKDRKLCVQABSVJK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent 3-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • 3-alkylindole
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound