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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:27:43 UTC
Update Date2025-03-24 22:05:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01985212
Frequency0.6
Structure
Chemical FormulaC46H46N4O18
Molecular Mass942.2807
SMILESCc1c2c(CC(=O)O)c(CCC(=O)O)c3cc4nc(cc5c(CC(=O)O)c(CCC(=O)O)c(cc(nc(CC(=O)O)c(CCC(=O)O)c([nH]3)=C2)C(CC(=O)O)=C5CCC(=O)O)[nH]4)c1CCC(=O)O
InChI KeyFKRLJCHURRZJGU-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