Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:07 UTC
Update Date2025-03-25 00:54:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208374
Frequency0.5
Structure
Chemical FormulaC16H26N2O2
Molecular Mass278.1994
SMILESCC(C)NCC(O)COc1ccc(C2CCNC2)cc1
InChI KeyQFYQJAVQEBWIRT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • pyrroles
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • alkyl aryl ether
  • secondary amine
  • 3-phenylpyrrolidine
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine