Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:56 UTC
Update Date2025-03-25 00:46:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155700
Frequency0.5
Structure
Chemical FormulaC13H15NO3
Molecular Mass233.1052
SMILESCC(=O)C(=O)CC(=O)Nc1c(C)cccc1C
InChI KeySSFNCIUBUDKQHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha-diketones
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • m-xylenes
  • Substituents
  • fatty acyl
  • carbonyl group
  • fatty amide
  • m-xylene
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • alpha-diketone
  • ketone
  • aromatic homomonocyclic compound
  • xylene
  • anilide
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound