Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:42:07 UTC
Update Date2025-03-21 20:01:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00301365
Frequency6.6
Structure
Chemical FormulaC7H13NO2
Molecular Mass143.0946
SMILESCC1(C)OC2CNCC2O1
InChI KeyXZYBWCDJMBCCJX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • meta-dioxolane
  • azacycle
  • secondary amine
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ketal
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • amine