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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:48:35 UTC
Update Date2025-03-21 18:51:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00177868
Frequency13.0
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESCc1cc([N+](=O)[O-])c(C)o1
InChI KeyDQJBDTSUWYXKRC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent nitroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • 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
  • furan
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organoheterocyclic compound
  • organooxygen compound
  • organic hyponitrite