Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:43:47 UTC
Update Date2025-03-24 22:20:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01163379
Frequency1.2
Structure
Chemical FormulaC8H13NO
Molecular Mass139.0997
SMILESCN1C2CCC1C1CC2O1
InChI KeyCITNYPWATDJXOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl ethers
  • hydrocarbon derivatives
  • morpholines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • piperidines
  • trialkylamines
  • Substituents
  • ether
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • dialkyl ether
  • oxazinane
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • morpholine
  • organic oxygen compound
  • oxetane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • piperidine
  • amine
  • tertiary amine
  • organooxygen compound