Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:29 UTC
Update Date2025-03-25 00:46:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156899
Frequency0.5
Structure
Chemical FormulaC10H7N3O2
Molecular Mass201.0538
SMILESO=C(O)c1ccnc(-c2cccnc2)n1
InChI KeyBYTAVCJXLYDPDY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidinecarboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrimidine-6-carboxylic acid
  • organooxygen compound