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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:41:00 UTC
Update Date2025-03-24 17:55:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01012846
Frequency1.4
Structure
Chemical FormulaC48H45N5O18
Molecular Mass979.276
SMILESO=C(O)CCC1=C2C=C3N=C(C=C4C=c5nc(cc6[nH]c(cc(nc(c(CCC(=O)O)c5CC(=O)O)=C2)C(CCC(=O)O)=C1CC(=O)O)c(CCC(=O)O)c6CC(=O)O)N4)C(CCC(=O)O)=C3CC(=O)O
InChI KeyKIHHZOZYVCTGGW-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