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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:04:26 UTC
Update Date2025-03-24 20:09:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01357859
Frequency1.0
Structure
Chemical FormulaC7H9NO2
Molecular Mass139.0633
SMILESCN1C2CC(=O)C1C1OC12
InChI KeyZZYOSNYLKSZUAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • ketones
  • morpholines
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolidine-3-ones
  • trialkylamines
    • Substituents
  • carbonyl group
  • ether
  • 3-pyrrolidone
  • dialkyl ether
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • oxirane
  • oxazinane
  • oxepane
  • oxacycle
  • morpholine
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound