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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:49:40 UTC
Update Date2025-03-25 00:28:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02037628
Frequency0.6
Structure
Chemical FormulaC5H7NO2
Molecular Mass113.0477
SMILESO=C1OCC2NCC12
InChI KeyUXUUQEKHNWYYMB-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
  • amino acids and derivatives
  • azacyclic compounds
  • azetidines
  • carbonyl compounds
  • carboxylic acid esters
  • dialkylamines
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • lactone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • secondary aliphatic amine
  • azacycle
  • tetrahydrofuran
  • secondary amine
  • gamma butyrolactone
  • para-oxazepine
  • azetidine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine