Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:44:26 UTC
Update Date2025-03-24 20:27:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01452784
Frequency0.9
Structure
Chemical FormulaC6H11NO
Molecular Mass113.0841
SMILESC1CC2COCC1N2
InChI KeyMNILDQSRDHCFJG-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
  • dialkylamines
  • hydrocarbon derivatives
  • morpholines
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • ether
  • azacycle
  • secondary amine
  • dialkyl ether
  • oxazinane
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • morpholine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound
  • amine