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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:34:28 UTC
Update Date2025-03-25 00:44:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02142856
Frequency0.6
Structure
Chemical FormulaC49H47N5O18
Molecular Mass993.2916
SMILESCC1=C(CCC(=O)O)c2cc3c(CC(=O)O)c(CCC(=O)O)c4cc(nc(cc5nc(cc6[nH]c(cc1n2)c(CC(=O)O)c6CCC(=O)O)C(CCC(=O)O)=C5CC(=O)O)c(CCC(=O)O)c3CC(=O)O)N4
InChI KeyORKMJAJCBZFNKW-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