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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:44 UTC
Update Date2025-03-21 18:33:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094946
Frequency29.2
Structure
Chemical FormulaC12H20NO3+
Molecular Mass226.1438
SMILESC[N+](C)(C)CC(O)Cc1ccc(O)c(O)c1
InChI KeyCSKPQHHSERXRQR-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent cholines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • amines
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • tetraalkylammonium salt
  • 1,2-aminoalcohol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • choline
  • secondary alcohol
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • organic salt
  • amine
  • organooxygen compound