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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:01 UTC
Update Date2025-03-21 18:35:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105478
Frequency25.6
Structure
Chemical FormulaC15H20NO6+
Molecular Mass310.1285
SMILESC[N+](C)(C)CC(CC(=O)O)OC(=O)c1ccccc1C(=O)O
InChI KeyLNSKRCSQFQQKAM-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • amines
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • tricarboxylic acids and derivatives
    • Substituents
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • tricarboxylic acid or derivatives
  • benzoate ester
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • organic cation
  • benzoic acid
  • organic salt
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound