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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:30 UTC
Update Date2025-03-21 18:03:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00044569
Frequency75.9
Structure
Chemical FormulaC41H40N4O16
Molecular Mass844.2439
SMILESO=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4nc5cc(c(CC(=O)O)c(CCC(=O)O)c(cc1n2)c(CCC(=O)O)c4CC(=O)O)N5)c(CCC(=O)O)c3CCC(=O)O
InChI KeyIGIQVWVNEYMPBM-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