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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:44:13 UTC
Update Date2025-03-24 17:56:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01020371
Frequency1.4
Structure
Chemical FormulaC44H43N3O17
Molecular Mass885.2592
SMILESCc1c(CCC(=O)O)cc2[nH]c(cc3nc(cc4c(CC(=O)O)c(CCC(=O)O)c5cc1NC(=O)Cc5c4CC(=O)O)C(CCC(=O)O)=C3CC(=O)O)c(CCC(=O)O)c2CC(=O)O
InChI KeyKMPBXZFOKMNLFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azepines
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • azepine
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • organooxygen compound