Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:22 UTC
Update Date2025-03-25 00:51:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186161
Frequency0.5
Structure
Chemical FormulaC13H12N2O2
Molecular Mass228.0899
SMILESO=C(C=Cc1cccnc1)NCc1ccco1
InChI KeyVSJJONWMDSWJGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridines and derivatives
Direct Parent pyridines and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • Substituents
  • furan
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • pyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound