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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:12:04 UTC
Update Date2025-03-21 23:10:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00655696
Frequency2.4
Structure
Chemical FormulaC6H9NO2
Molecular Mass127.0633
SMILESCN1C(=O)CC2OCC21
InChI KeyJBIMZHUUJZCISQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxazepines
Subclass 1,4-oxazepines
Direct Parent 1,4-oxazepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • ether
  • lactam
  • carboxylic acid derivative
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • para-oxazepine
  • oxacycle
  • organic oxygen compound
  • oxetane
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound