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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:59 UTC
Update Date2025-03-25 00:56:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219807
Frequency0.5
Structure
Chemical FormulaC15H28N2O2+2
Molecular Mass268.214
SMILESC[N+](C)(C)CC(Cc1ccc(O)c(O)c1)[N+](C)(C)C
InChI KeyZKKVGOMRAFJIGI-UHFFFAOYSA-P
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent amphetamines and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • amines
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organooxygen compounds
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound
  • amphetamine or derivatives