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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:34 UTC
Update Date2025-03-25 00:46:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154830
Frequency0.5
Structure
Chemical FormulaC20H20N2O2
Molecular Mass320.1525
SMILESCC(=O)N1CCC(=C2c3ccccc3OCc3cccnc32)CC1
InChI KeyGOGXREPEIPUZFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxepines
Subclass benzoxepines
Direct Parent benzoxepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetamides
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-acylpiperidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • ether
  • polyhalopyridine
  • benzoxepine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • piperidine
  • acetamide
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • oxacycle
  • n-acyl-piperidine
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound