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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:50 UTC
Update Date2025-03-25 00:52:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193981
Frequency0.5
Structure
Chemical FormulaC35H48N2O9
Molecular Mass640.336
SMILESCCc1c(CCC(=O)O)c(C)c(CCC(=O)O)c(Cc2[nH]c(CC3NC(=O)C(CC)C3C)c(C)c2CCC(=O)O)c1CCC(=O)O
InChI KeyOWTVATOEIUYDSL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tetracarboxylic acids and derivatives
Direct Parent tetracarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylpropanoic acids
  • pyrroles
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • toluenes
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • tetracarboxylic acid or derivatives
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • toluene
  • organooxygen compound