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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:18 UTC
Update Date2025-03-25 01:01:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250091
Frequency0.5
Structure
Chemical FormulaC18H30NO7+
Molecular Mass372.2017
SMILESC[N+](C)(C)CC(OC(=O)CCC(O)Cc1ccc(O)c(O)c1)C(O)CO
InChI KeyJYAXJDBYOUNKBE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • amines
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • primary alcohol
  • alcohol
  • 1,3-aminoalcohol
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound