Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:16:54 UTC
Update Date2025-03-24 22:00:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01959327
Frequency0.6
Structure
Chemical FormulaC4H3FN2O
Molecular Mass114.0229
SMILESO=c1ncc(F)c[nH]1
InChI KeyHPABFFGQPLJKBP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent halopyrimidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl fluorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrimidones
  • Substituents
  • aryl fluoride
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • pyrimidone
  • halopyrimidine
  • organohalogen compound
  • aryl halide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound