Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:09 UTC
Update Date2025-03-25 00:53:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199324
Frequency0.5
Structure
Chemical FormulaC12H13NO4
Molecular Mass235.0845
SMILESCc1cccc(NC(=O)CC(=O)C(=O)O)c1C
InChI KeyZLKFUIGVXRDRJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • carboxylic acids
  • fatty amides
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • o-xylenes
  • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • n-arylamide
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • xylene
  • organic oxide
  • organonitrogen compound
  • alpha-keto acid
  • organopnictogen compound
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • o-xylene
  • organic oxygen compound
  • keto acid
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound