Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:03 UTC
Update Date2025-03-21 18:40:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131937
Frequency19.2
Structure
Chemical FormulaC12H20N2O
Molecular Mass208.1576
SMILESCN(C)CC(O)C(N)Cc1ccccc1
InChI KeyZUMOPBMQTKDAPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • amphetamines and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • amphetamine or derivatives