Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:15:36 UTC
Update Date2025-03-24 16:44:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00951819
Frequency1.5
Structure
Chemical FormulaC4H3N3O2
Molecular Mass125.0225
SMILESO=c1[nH]oc2nc[nH]c12
InChI KeyDONIUSHYASNZQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass isoxazoles
Direct Parent isoxazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • lactam
  • azacycle
  • heteroaromatic compound
  • isoxazole
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound