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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:54 UTC
Update Date2025-03-25 00:49:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175970
Frequency0.5
Structure
Chemical FormulaC13H17NO2
Molecular Mass219.1259
SMILESCC1Cc2cc([N+](=O)[O-])ccc2C(C)(C)C1
InChI KeyYZMHBBRZCORYLE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass nitronaphthalenes
Direct Parent nitronaphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tetralins
    • Substituents
  • nitroaromatic compound
  • tetralin
  • allyl-type 1,3-dipolar organic compound
  • aromatic homopolycyclic compound
  • organic 1,3-dipolar compound
  • 2-nitronaphthalene
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite