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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:39:01 UTC
Update Date2025-03-25 01:31:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02429765
Frequency0.5
Structure
Chemical FormulaC7H13NO2
Molecular Mass143.0946
SMILESCN1C2CCC1C(O)CO2
InChI KeySAIBHMHMDYGPQR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-oxazinanes
  • azacyclic compounds
  • hemiaminals
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • 1,3-oxazinane
  • hemiaminal
  • oxazinane
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound