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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:03:46 UTC
Update Date2025-03-21 18:28:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00071170
Frequency42.2
Structure
Chemical FormulaC8H9NO4
Molecular Mass183.0532
SMILESCOc1ccc([N+](=O)[O-])c(OC)c1
InChI KeyXXWIYOBCHKCWNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrophenyl ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • 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
  • dimethoxybenzene
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitroaromatic compound
  • organic 1,3-dipolar compound
  • methoxybenzene
  • aromatic homomonocyclic compound
  • nitrophenyl ether
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • organic hyponitrite