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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:28:47 UTC
Update Date2025-03-24 22:05:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01987794
Frequency0.6
Structure
Chemical FormulaC45H43N5O14
Molecular Mass877.2807
SMILESCC1=C(CCC(=O)O)C2=CC3=C(CC(=O)O)C(CC(=O)O)=C(CCC(=O)O)c4cc5[nH]c(cc6nc(c(CCC(=O)O)c(C)c(n4)=C3)=CC(=CC1=N2)N6)c(CC(=O)O)c5CCC(=O)O
InChI KeyZOTQIYARPSQNSD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidolactams
Subclass imidolactams
Direct Parent imidolactams
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • secondary amines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • heteroaromatic compound
  • secondary amine
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • organooxygen compound
  • amine