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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:39:24 UTC
Update Date2025-03-24 21:43:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01870926
Frequency0.6
Structure
Chemical FormulaC5H6N2O2
Molecular Mass126.0429
SMILESCc1cc[nH]c1[N+](=O)[O-]
InChI KeyXWLAHIBWPWGAQY-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
  • pyrroles
    • Substituents
  • nitroaromatic compound
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organoheterocyclic compound
  • organic hyponitrite