Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:58:25 UTC
Update Date2025-03-24 20:07:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01343663
Frequency1.0
Structure
Chemical FormulaC5H6N2O3
Molecular Mass142.0378
SMILESCOc1c(O)nc[nH]c1=O
InChI KeyJSEPQQUEVRZWST-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyrimidines
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • vinylogous acids
  • Substituents
  • ether
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • hydroxypyrimidine
  • alkyl aryl ether
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound