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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:04 UTC
Update Date2025-03-25 01:01:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249562
Frequency0.5
Structure
Chemical FormulaC14H17N2O4+
Molecular Mass277.1183
SMILESCc1c2ccccc2nc[n+]1C1OC(CO)C(O)C1O
InChI KeyACNLPSDHUZJANJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • monosaccharide
  • pyrimidine
  • oxacycle
  • saccharide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic cation
  • quinazoline
  • primary alcohol
  • organooxygen compound