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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:33:14 UTC
Update Date2025-03-24 17:52:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00994259
Frequency1.4
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESCN1CCOC(=O)CC1
InChI KeyLVHUAXQNHXMSGQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxazepines
Subclass 1,4-oxazepines
Direct Parent 1,4-oxazepines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
    • Substituents
  • carbonyl group
  • azacycle
  • amino acid or derivatives
  • tertiary aliphatic amine
  • carboxylic acid derivative
  • para-oxazepine
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound