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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:32 UTC
Update Date2025-03-25 00:46:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154780
Frequency0.5
Structure
Chemical FormulaC11H13NO3
Molecular Mass207.0895
SMILESCOc1cc2c(cc1O)CC(=O)NCC2
InChI KeyNTRHJFUSZZBQEN-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
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • azepines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • lactam
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • azepine
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • organooxygen compound