Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:05:09 UTC
Update Date2025-03-25 00:33:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02074324
Frequency0.6
Structure
Chemical FormulaC8H13NO
Molecular Mass139.0997
SMILESCN1C2CCC1C1OCC12
InChI KeyBXCCKUAPNBIUIR-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • trialkylamines
  • Substituents
  • ether
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • dialkyl ether
  • para-oxazepine
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • oxetane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound