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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:31 UTC
Update Date2025-03-25 00:56:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221053
Frequency0.5
Structure
Chemical FormulaC11H7NO4
Molecular Mass217.0375
SMILESO=C(O)c1ccc([N+](=O)[O-])c2ccccc12
InChI KeyBQBFFSOHVNNCSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass nitronaphthalenes
Direct Parent nitronaphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • naphthalenecarboxylic acids
  • nitroaromatic compounds
  • nitrobenzoic acids and derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboxylic acid
  • allyl-type 1,3-dipolar organic compound
  • 1-naphthalenecarboxylic acid
  • carboxylic acid derivative
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • organic oxoazanium
  • nitroaromatic compound
  • aromatic homopolycyclic compound
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • 1-nitronaphthalene
  • organic oxygen compound
  • 1-naphthalenecarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • nitrobenzoate
  • organooxygen compound
  • organic hyponitrite