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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:50 UTC
Update Date2025-03-21 18:40:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131439
Frequency19.3
Structure
Chemical FormulaC11H13NO4
Molecular Mass223.0845
SMILESCN1CCc2cc(O)c(O)cc2C(O)C1=O
InChI KeyFGDOVJGWGQCKMY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • azepines
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • lactam
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • azepine
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • organooxygen compound