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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:42 UTC
Update Date2025-03-25 01:01:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248693
Frequency0.5
Structure
Chemical FormulaC7H8N4O2
Molecular Mass180.0647
SMILESN=C(N)Nc1ccccc1[N+](=O)[O-]
InChI KeyRHZVMRZLWGSBJS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • nitroaromatic compound
  • guanidine
  • imine
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • carboximidamide
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite
  • nitrobenzene