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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:55:08 UTC
Update Date2025-03-21 22:01:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00473725
Frequency3.7
Structure
Chemical FormulaC4H5N3O3
Molecular Mass143.0331
SMILESCOc1nc(=O)[nH]c(=O)[nH]1
InChI KeySNULTPQANPFFQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass 1,3,5-triazines
Direct Parent 2-methoxy-1,3,5-triazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • halo-s-triazines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • triazinones
    • Substituents
  • ether
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • alkyl aryl ether
  • organic oxide
  • organic oxygen compound
  • halo-s-triazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • triazinone
  • organooxygen compound
  • 2-methoxy-1,3,5-triazine