Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:17 UTC
Update Date2025-03-25 00:47:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160815
Frequency0.5
Structure
Chemical FormulaC7H6N4O2
Molecular Mass178.0491
SMILESNc1nc2[nH]ccc2c(=O)c(=O)[nH]1
InChI KeyREICTLIOJQRYBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrroles
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • lactam
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound