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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:49 UTC
Update Date2025-03-25 01:01:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248971
Frequency0.5
Structure
Chemical FormulaC11H9NO4
Molecular Mass219.0532
SMILESCOc1ccc2c(O)ccc([N+](=O)[O-])c2c1
InChI KeyOJSMZBIPPDPBPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass nitronaphthalenes
Direct Parent nitronaphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • naphthols and derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • phenol ether
  • ether
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitroaromatic compound
  • aromatic homopolycyclic compound
  • organic 1,3-dipolar compound
  • 1-nitronaphthalene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • 1-naphthol
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite