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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:39 UTC
Update Date2025-03-21 18:32:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00089920
Frequency31.4
Structure
Chemical FormulaC40H38N4O16
Molecular Mass830.2283
SMILESO=C(O)CCC1=C(CC(=O)O)C2=NC3=Cc4c(CC(=O)O)c(CCC(=O)O)c(cc5nc(cc1c(CC(=O)O)c(CCC(=O)O)c([nH]5)=C2)c(CCC(=O)O)c4CC(=O)O)N3
InChI KeyRSCLEGGDCNGTLP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • azepine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound