Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:55 UTC
Update Date2025-03-21 18:39:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126835
Frequency20.2
Structure
Chemical FormulaC7H7NO3
Molecular Mass153.0426
SMILESCc1cnc(C(=O)O)c(O)c1
InChI KeyHBRBGVUFTBZDOM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent 5-alkyl-2-carboxypyrimidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • vinylogous acids
  • Substituents
  • 5-alkyl-2-carboxypyrimidine
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • carboxylic acid derivative
  • vinylogous acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound