Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:57 UTC
Update Date2025-03-25 00:59:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239968
Frequency0.5
Structure
Chemical FormulaC18H21NO
Molecular Mass267.1623
SMILESNCCCC1(c2ccccc2)CC(O)c2ccccc21
InChI KeyYROXUUYQOANZTQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • indanes
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • aromatic homopolycyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • indane
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound