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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:12 UTC
Update Date2025-03-25 00:57:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224877
Frequency0.5
Structure
Chemical FormulaC17H22N4O5
Molecular Mass362.159
SMILESNCCc1ccc(OC2C(CO)OC(n3ccc(N)nc3=O)C2O)cc1
InChI KeyCMUWFFKRPHXYPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyrimidine nucleosides
Subclass pyrimidine nucleosides
Direct Parent pyrimidine nucleosides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monoalkylamines
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • monosaccharide
  • pyrimidone
  • alkyl aryl ether
  • pyrimidine
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrimidine nucleoside
  • primary alcohol
  • imidolactam
  • organoheterocyclic compound
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound