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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:07 UTC
Update Date2025-03-25 00:49:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176478
Frequency0.5
Structure
Chemical FormulaC9H7NO4
Molecular Mass193.0375
SMILESO=CC(=Cc1ccc(O)cc1)[N+](=O)[O-]
InChI KeyBSTHDONRFQTGQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamaldehydes
Subclass cinnamaldehydes
Direct Parent cinnamaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aldehydes
  • benzene and substituted derivatives
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • cinnamaldehyde
  • carbonyl group
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic oxoazanium
  • organooxygen compound
  • organic hyponitrite