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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:43 UTC
Update Date2025-03-25 00:46:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157366
Frequency0.5
Structure
Chemical FormulaC11H9NO4
Molecular Mass219.0532
SMILESO=C1NC2C(O)c3cc4c(cc3C12)OCO4
InChI KeySEOYQJXPHOAZLZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • azacyclic compounds
  • azepines
  • azetidines
  • benzodioxoles
  • beta lactams
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • indanes
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid derivative
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • benzodioxole
  • alcohol
  • azacycle
  • carboxamide group
  • azetidine
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • azepine
  • indane
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • beta-lactam
  • organooxygen compound