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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:03 UTC
Update Date2025-03-25 00:49:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171724
Frequency0.5
Structure
Chemical FormulaC8H11N3O2
Molecular Mass181.0851
SMILESCCc1nc([N+](=O)[O-])c(C)nc1C
InChI KeyGLEWCLSSGFEIJW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent nitroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrazines
    • Substituents
  • nitroaromatic compound
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • pyrazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • imidolactam
  • organoheterocyclic compound
  • organic hyponitrite