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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:01:49 UTC
Update Date2025-03-24 21:26:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01781515
Frequency0.7
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESCC1(C)OC2CC(=O)NC21
InChI KeyITFSVZJBUOMLOL-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
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • ether
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • dialkyl ether
  • para-oxazepine
  • aliphatic heteropolycyclic compound
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • oxetane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound