Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:18:46 UTC
Update Date2025-03-25 01:23:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02382462
Frequency0.5
Structure
Chemical FormulaC7H13NO
Molecular Mass127.0997
SMILESCN1CCC2CCC1O2
InChI KeyVLMJFKLRWLMROB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-oxazinanes
  • azacyclic compounds
  • hemiaminals
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • azacycle
  • tetrahydrofuran
  • 1,3-oxazinane
  • hemiaminal
  • oxazinane
  • aliphatic heteropolycyclic compound
  • oxacycle
  • azepane
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound