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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:56 UTC
Update Date2025-03-25 00:51:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189790
Frequency0.5
Structure
Chemical FormulaC13H16N2O3
Molecular Mass248.1161
SMILESC=CCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChI KeyPRWAJAWWWGGGHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • anilides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • n-arylamides
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • allyl-type 1,3-dipolar organic compound
  • fatty amide
  • n-arylamide
  • carboxylic acid derivative
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrobenzene
  • nitroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite