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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:38 UTC
Update Date2025-03-21 18:07:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068452
Frequency44.2
Structure
Chemical FormulaC9H9NO3
Molecular Mass179.0582
SMILESO=C(CC[N+](=O)[O-])c1ccccc1
InChI KeyPMBFWZPQKKUBSU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • benzoyl derivatives
  • c-nitro compounds
  • hydrocarbon derivatives
  • 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
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic oxoazanium
  • alkyl-phenylketone
  • organic hyponitrite