Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:47 UTC
Update Date2025-03-21 18:41:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133587
Frequency18.9
Structure
Chemical FormulaC12H17NO3
Molecular Mass223.1208
SMILESCC(C)(CO)C(O)C(=O)Nc1ccccc1
InChI KeyRNLHQIQNFLZEPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • monosaccharides
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • fatty acyl
  • carbonyl group
  • fatty amide
  • monosaccharide
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • saccharide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound