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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:10 UTC
Update Date2025-03-25 01:00:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245193
Frequency0.5
Structure
Chemical FormulaC9H12N2O2
Molecular Mass180.0899
SMILESCN(C)Cc1ccccc1[N+](=O)[O-]
InChI KeyFCAMUPIRWKNASD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aralkylamines
  • benzylamines
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • phenylmethylamines
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • allyl-type 1,3-dipolar organic compound
  • aralkylamine
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • tertiary amine
  • nitrobenzene
  • nitroaromatic compound
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • aromatic homomonocyclic compound
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organic hyponitrite