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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:13 UTC
Update Date2025-03-25 00:45:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151630
Frequency0.5
Structure
Chemical FormulaC10H14N4O
Molecular Mass206.1168
SMILESN=C(N)N1CCN(O)c2ccccc2C1
InChI KeyFLIYYJKDSQUQHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodiazepines
Subclass 1,4-benzodiazepines
Direct Parent 1,4-benzodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxylamino, 2-unsubstituted benzenoids
  • 1-hydroxylamino, 4-unsubstituted benzenoids
  • azacyclic compounds
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • n-organohydroxylamines
  • organic oxygen compounds
  • organopnictogen compounds
    • Substituents
  • azacycle
  • guanidine
  • imine
  • carboximidamide
  • n-organohydroxylamine
  • 1,4-benzodiazepine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-hydroxylamino, 4-unsubstituted benzenoid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1-hydroxylamino, 2-unsubstituted benzenoid