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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:36 UTC
Update Date2025-03-25 00:51:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186723
Frequency0.5
Structure
Chemical FormulaC12H10N2O3
Molecular Mass230.0691
SMILESNc1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChI KeyRRKNYJSXOGMLIS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • diarylethers
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • nitrobenzenes
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • allyl-type 1,3-dipolar organic compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrobenzene
  • nitroaromatic compound
  • organic 1,3-dipolar compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • diphenylether
  • amine
  • organooxygen compound
  • organic hyponitrite