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Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:02:58 UTC
Update Date2025-03-21 18:07:26 UTC
HMDB IDHMDB0245945
Metabolite Identification
DeepMet IDDMID00069288
Name3-Nitrobenzaldehyde
Frequency43.6
Structure
Chemical FormulaC7H5NO3
Molecular Mass151.0269
SMILESO=Cc1cccc([N+](=O)[O-])c1
InChI KeyZETIVVHRRQLWFW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrobenzaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzaldehydes
  • benzoyl derivatives
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • allyl-type 1,3-dipolar organic compound
  • benzoyl
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aryl-aldehyde
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitroaromatic compound
  • aldehyde
  • organic 1,3-dipolar compound
  • aromatic homomonocyclic compound
  • benzaldehyde
  • nitrobenzaldehyde
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite