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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:18 UTC
Update Date2025-03-25 00:57:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225093
Frequency0.5
Structure
Chemical FormulaC10H13N3O4
Molecular Mass239.0906
SMILESNc1ccn(C2OCC3OC(CO)C32)c(=O)n1
InChI KeyPKDRCFDDJKJUHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,4-dioxepanes
Direct Parent 1,4-dioxepanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • primary alcohols
  • primary amines
  • pyrimidones
  • tetrahydrofurans
    • Substituents
  • ether
  • pyrimidone
  • dialkyl ether
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • imidolactam
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • 1,4-dioxepane
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • oxetane
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound