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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:58 UTC
Update Date2025-03-25 00:47:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162335
Frequency0.5
Structure
Chemical FormulaC13H17NO6
Molecular Mass283.1056
SMILESO=C(O)CCC(O)C(=O)NCCc1ccc(O)c(O)c1
InChI KeyOYJQTJDQTRDFFW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent n-acyldopamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • n-acyldopamine
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • n-acyl-amine
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound