Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:28 UTC
Update Date2025-03-25 00:57:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227649
Frequency0.5
Structure
Chemical FormulaC8H9NO3
Molecular Mass167.0582
SMILESCC(=O)N1C=CC=C(C(=O)O)C1
InChI KeyFIHJBYGMMIKNND-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent dihydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • dihydropyridine
  • acetamide
  • organooxygen compound