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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:54 UTC
Update Date2025-03-25 00:59:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235382
Frequency0.5
Structure
Chemical FormulaC14H9NO3
Molecular Mass239.0582
SMILESO=[N+]([O-])c1cccc2ccc3ccc(O)cc3c12
InChI KeyJEJBSHKCBBJWMP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrols
Direct Parent phenanthrols
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • hydrocarbon derivatives
  • naphthols and derivatives
  • nitroaromatic compounds
  • nitronaphthalenes
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • nitroaromatic compound
  • phenanthrol
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • 1-nitronaphthalene
  • naphthalene
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • 2-naphthol
  • organooxygen compound
  • organic hyponitrite