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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:25:47 UTC
Update Date2025-03-24 21:37:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01838478
Frequency0.7
Structure
Chemical FormulaC7H7NO2
Molecular Mass137.0477
SMILESC=[N+]([O-])c1ccc(O)cc1
InChI KeyBKQKKOXMCLUSSK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • allyl-type 1,3-dipolar organic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite