Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:46 UTC
Update Date2025-03-21 18:03:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042779
Frequency79.7
Structure
Chemical FormulaC12H20N+
Molecular Mass178.159
SMILESCC(Cc1ccccc1)[N+](C)(C)C
InChI KeyCIOAZSKKJMOUJW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent amphetamines and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • phenylpropanes
  • tetraalkylammonium salts
  • Substituents
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • phenylpropane
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • amphetamine or derivatives