Hmdb loader

Showing information for DMID02178108

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:48 UTC
Update Date2025-03-25 00:50:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178108
Frequency0.5
Structure
Chemical FormulaC9H11NO3
Molecular Mass181.0739
SMILESCOC(=O)c1cccnc1C(C)O
InChI KeyAJXHOSSFFIBNRZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridine-3-carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methyl esters
  • methylpyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • aromatic heteromonocyclic compound
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • methyl ester
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound