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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:02 UTC
Update Date2025-03-25 00:58:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233334
Frequency0.5
Structure
Chemical FormulaC12H17N3O4
Molecular Mass267.1219
SMILESCC1(C)CC2OC(n3ccc(N)nc3=O)C(O)C2O1
InChI KeyWJTXJPHJAAVJHD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurofurans
Subclass furofurans
Direct Parent furofurans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • ether
  • monosaccharide
  • pyrimidone
  • dialkyl ether
  • pyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • furofuran
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound