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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:58 UTC
Update Date2025-03-25 00:46:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155771
Frequency0.5
Structure
Chemical FormulaC12H18NO3+
Molecular Mass224.1281
SMILESC[N+](C)(C)C(=O)C(O)Cc1ccc(O)cc1
InChI KeyMURXARCYPFXWOB-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-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • choline
  • secondary alcohol
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • organooxygen compound