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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:26:10 UTC
Update Date2025-03-25 00:17:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01267304
Frequency1.0
Structure
Chemical FormulaC5H7N3O2
Molecular Mass141.0538
SMILESCc1nn(C)cc1[N+](=O)[O-]
InChI KeyAKFKERAVXIGUNB-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
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrazoles
    • Substituents
  • nitroaromatic compound
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrazole
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organoheterocyclic compound
  • organic hyponitrite
  • azole