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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:15 UTC
Update Date2025-03-25 00:57:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222741
Frequency0.5
Structure
Chemical FormulaC13H12N2O3
Molecular Mass244.0848
SMILESO=[N+]([O-])c1ccc(NCc2ccc(O)cc2)cc1
InChI KeyGGNYHWLRWFSDMB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organooxygen compounds
  • organopnictogen compounds
  • phenylalkylamines
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alkylarylamines
    • Substituents
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrobenzene
  • nitroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenylalkylamine
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • organic hyponitrite