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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:22 UTC
Update Date2025-03-25 00:49:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172444
Frequency0.5
Structure
Chemical FormulaC40H54N6O8
Molecular Mass746.4003
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2nc(CCC(=O)O)c(Cc3[nH]c(CC4NC(=O)C(CC)C4C)c(C)c3CCC(=O)O)[nH]2)c(CCC(=O)O)c1C
InChI KeyYUXUIWMITWTHMM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,4,5-trisubstituted imidazoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • tricarboxylic acid or derivatives
  • organic oxide
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azole
  • azacycle
  • heteroaromatic compound
  • 2,4,5-trisubstituted-imidazole
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • trisubstituted imidazole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound