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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:33 UTC
Update Date2025-03-25 00:54:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204785
Frequency0.5
Structure
Chemical FormulaC14H10N2O3
Molecular Mass254.0691
SMILESO=[N+]([O-])c1ccc(Oc2ccc3[nH]ccc3c2)cc1
InChI KeyCVBNYQFIRDIOHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • nitroaromatic compounds
  • nitrobenzenes
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • indole
  • allyl-type 1,3-dipolar organic compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • organoheterocyclic compound
  • nitrobenzene
  • nitroaromatic compound
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • organic 1,3-dipolar compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organic hyponitrite