Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:29 UTC
Update Date2025-03-21 18:04:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00053855
Frequency60.0
Structure
Chemical FormulaC13H19NO4
Molecular Mass253.1314
SMILESCC(C)(CO)C(O)C(=O)NCc1ccc(O)cc1
InChI KeyMGTVJITYTKTQTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • fatty amide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxamide group
  • carboxylic acid derivative
  • n-acyl-amine
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • saccharide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound