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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:29 UTC
Update Date2025-03-25 00:56:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218663
Frequency0.5
Structure
Chemical FormulaC9H11NO
Molecular Mass149.0841
SMILESCc1ccc(C=[N+](C)[O-])cc1
InChI KeyQZJWIZSRELSJQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent toluenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • nitrones
  • organic oxides
  • organic oxoanionic compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • toluene
  • organic hyponitrite
  • nitrone