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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:56 UTC
Update Date2025-03-25 00:48:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166939
Frequency0.5
Structure
Chemical FormulaC8H11NO3
Molecular Mass169.0739
SMILESCC(C)(C)c1ccc([N+](=O)[O-])o1
InChI KeyXLERQSNLKOUOIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass nitrofurans
Direct Parent nitrofurans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • nitroaromatic compound
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • 2-nitrofuran
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organooxygen compound
  • organic hyponitrite