Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:10:48 UTC
Update Date2025-03-24 20:38:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01515931
Frequency0.8
Structure
Chemical FormulaC6H11NO
Molecular Mass113.0841
SMILESCN1CC2COCC21
InChI KeyPLWNGSSVJWGUHN-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
  • azacyclic compounds
  • azetidines
  • dialkyl ethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • trialkylamines
  • Substituents
  • ether
  • azacycle
  • tetrahydrofuran
  • tertiary aliphatic amine
  • dialkyl ether
  • para-oxazepine
  • azetidine
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound