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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:18:33 UTC
Update Date2025-03-21 18:35:40 UTC
HMDB IDHMDB0032595
Metabolite Identification
DeepMet IDDMID00106799
Name1-(4-Methoxyphenyl)-2-nitroethylene
Frequency25.2
Structure
Chemical FormulaC9H9NO3
Molecular Mass179.0582
SMILESCOc1ccc(C=C[N+](=O)[O-])cc1
InChI KeyJKQUXSHVQGBODD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • c-nitro compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • alkyl aryl ether
  • methoxybenzene
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • phenoxy compound
  • organooxygen compound
  • organic hyponitrite