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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:26 UTC
Update Date2025-03-25 00:46:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154549
Frequency0.5
Structure
Chemical FormulaC7H11NO3
Molecular Mass157.0739
SMILESCC(=O)N1CC2COC(C1)O2
InChI KeyLAQAEJPSTXHWPB-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
  • 1,3-dioxolanes
  • acetals
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • morpholines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tertiary carboxylic acid amides
    • Substituents
  • meta-dioxolane
  • carbonyl group
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • oxazinane
  • para-oxazepine
  • aliphatic heteropolycyclic compound
  • oxacycle
  • morpholine
  • organic oxide
  • organic oxygen compound
  • acetal
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound