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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:25:02 UTC
Update Date2025-03-25 01:25:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02396970
Frequency0.5
Structure
Chemical FormulaC47H46N4O20
Molecular Mass986.2705
SMILESO=C(O)CCC1=C(CC(=O)O)C2=Cc3c(CCC(=O)O)c(CC(=O)O)c(c(CCC(=O)O)c3CC(=O)O)C=C3N=C(C=c4[nH]c(c(CC(=O)O)c4CCC(=O)O)=CC(=N1)C(CC(=O)O)=C2CCC(=O)O)N3
InChI KeyDUFXZWWGPPETBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • amidine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • azepine
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • imidolactam
  • organooxygen compound