Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:49 UTC
Update Date2025-03-21 18:41:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135938
Frequency18.4
Structure
Chemical FormulaC16H27NO2
Molecular Mass265.2042
SMILESCC(C)NCC(O)COc1ccccc1C(C)(C)C
InChI KeyWMISHXACHUDUEI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • ether
  • alkyl aryl ether
  • secondary amine
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine