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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:01 UTC
Update Date2025-03-25 00:50:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183107
Frequency0.5
Structure
Chemical FormulaC9H11NO4
Molecular Mass197.0688
SMILESO=[N+]([O-])c1ccc(OCCCO)cc1
InChI KeyXHRNQMMJGWBTBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrophenyl ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • phenol ether
  • ether
  • allyl-type 1,3-dipolar organic compound
  • alkyl aryl ether
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitroaromatic compound
  • alcohol
  • organic 1,3-dipolar compound
  • aromatic homomonocyclic compound
  • nitrophenyl ether
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • organic hyponitrite