Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:52 UTC
Update Date2025-03-25 00:51:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189631
Frequency0.5
Structure
Chemical FormulaC16H25NO2
Molecular Mass263.1885
SMILESCC(C)NCC(O)COc1cccc(CC2CC2)c1
InChI KeyXRAYPKLFLYJLLA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • secondary amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine