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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:43:23 UTC
Update Date2025-03-25 01:09:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02300352
Frequency0.5
Structure
Chemical FormulaC47H43N5O18
Molecular Mass965.2603
SMILESO=C(O)CCC1=C(CC(=O)O)C2=NC1=CC1=C(CC(=O)O)C(CC(=O)O)=C(CCC(=O)O)c3cc4[nH]c(cc5nc(c(CCC(=O)O)c(CC(=O)O)c(n3)=C1)=CC(=C2)N5)c(CC(=O)O)c4CCC(=O)O
InChI KeyCIVOAYYYAVGWSG-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