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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:47 UTC
Update Date2025-03-25 00:50:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178063
Frequency0.5
Structure
Chemical FormulaC12H9N3O2
Molecular Mass227.0695
SMILESCc1nccc2c1[nH]c1ccc([N+](=O)[O-])cc12
InChI KeyKHTDXKAUSUJSQZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classharmala alkaloids
Subclass harmala alkaloids
Direct Parent harmala alkaloids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • beta carbolines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • propargyl-type 1,3-dipolar organic compounds
  • pyridines and derivatives
  • pyrroles
    • Substituents
  • indole
  • polyhalopyridine
  • allyl-type 1,3-dipolar organic compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic oxoazanium
  • organoheterocyclic compound
  • nitroaromatic compound
  • azacycle
  • heteroaromatic compound
  • harman
  • indole or derivatives
  • organic 1,3-dipolar compound
  • pyridine
  • organic oxygen compound
  • pyrrole
  • beta-carboline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyridoindole
  • organic hyponitrite