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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:14 UTC
Update Date2025-03-25 00:46:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156338
Frequency0.5
Structure
Chemical FormulaC11H14ClNO3
Molecular Mass243.0662
SMILESCc1c([N+](=O)[O-])cc(C(C)(C)C)c(O)c1Cl
InChI KeyCEGOUZQZFUNFEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass nitrophenols
Direct Parent nitrophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • meta cresols
  • nitroaromatic compounds
  • nitrobenzenes
  • nitrotoluenes
  • o-chlorophenols
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • phenylpropanes
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • organochloride
  • allyl-type 1,3-dipolar organic compound
  • organohalogen compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • phenylpropane
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrophenol
  • nitrobenzene
  • nitroaromatic compound
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • m-cresol
  • nitrotoluene
  • organic 1,3-dipolar compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • toluene
  • organooxygen compound
  • organic hyponitrite