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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 IDDMID02202199
Frequency0.5
Structure
Chemical FormulaC14H23N2O4+
Molecular Mass283.1652
SMILESC[N+](C)(C)CCOC(=O)CCn1c(C=O)ccc1CO
InChI KeyMVOHMPRZKZNBPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent acyl cholines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amines
  • aromatic alcohols
  • aryl-aldehydes
  • azacyclic compounds
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • substituted pyrroles
  • tetraalkylammonium salts
    • Substituents
  • aromatic alcohol
  • carbonyl group
  • aromatic heteromonocyclic compound
  • substituted pyrrole
  • carboxylic acid derivative
  • organic oxide
  • aryl-aldehyde
  • organopnictogen compound
  • organic cation
  • organic salt
  • organoheterocyclic compound
  • alcohol
  • tetraalkylammonium salt
  • azacycle
  • heteroaromatic compound
  • aldehyde
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • pyrrole
  • acyl choline
  • hydrocarbon derivative
  • amine
  • organooxygen compound