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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:37:23 UTC
Update Date2025-03-24 13:59:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00716260
Frequency2.2
Structure
Chemical FormulaC5H7NO3
Molecular Mass129.0426
SMILESO=C1CCC(O)=NCO1
InChI KeyXEQBSYHQCORKIF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxazepines
Subclass 1,3-oxazepines
Direct Parent 1,3-oxazepines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • meta-oxazepine
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound