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Showing information for DMID02202205

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:25 UTC
Update Date2025-03-25 00:53:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202205
Frequency0.5
Structure
Chemical FormulaC12H21N2+
Molecular Mass193.1699
SMILESC[N+](C)(C)CCCc1ccc(N)cc1
InChI KeyRGTOPIUFFXJEQO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropylamines
Direct Parent phenylpropylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • primary amines
  • tetraalkylammonium salts
    • Substituents
  • phenylpropylamine
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine