Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:26:41 UTC
Update Date2025-03-25 01:51:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02540986
Frequency0.5
Structure
Chemical FormulaC8H13NO
Molecular Mass139.0997
SMILESCN1C2CC3CC(CO3)C21
InChI KeyFKKRPTPJDDALDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azepanes
  • aziridines
  • dialkyl ethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • trialkylamines
  • Substituents
  • ether
  • azacycle
  • tetrahydrofuran
  • tertiary aliphatic amine
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • azepane
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • aziridine
  • tertiary amine
  • organooxygen compound