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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:37 UTC
Update Date2025-03-25 01:02:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253050
Frequency0.5
Structure
Chemical FormulaC14H11NO4
Molecular Mass257.0688
SMILESO=C(Cc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1
InChI KeyPDJLITFVKXAIKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classstilbenes
Subclass stilbenes
Direct Parent stilbenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • nitrobenzenes
  • nitrophenols
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • allyl-type 1,3-dipolar organic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrophenol
  • nitrobenzene
  • nitroaromatic compound
  • organic 1,3-dipolar compound
  • phenylketone
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone
  • organooxygen compound
  • organic hyponitrite
  • aryl ketone
  • stilbene