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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:25:54 UTC
Update Date2025-03-24 21:10:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01696411
Frequency0.7
Structure
Chemical FormulaC6H9N3O
Molecular Mass139.0746
SMILESCNc1nccc(OC)n1
InChI KeyOPBJFWASRUHSHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrimidines and pyrimidine derivatives
  • secondary alkylarylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • alkyl aryl ether
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine