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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:12 UTC
Update Date2025-03-25 00:49:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172058
Frequency0.5
Structure
Chemical FormulaC10H14N2O3
Molecular Mass210.1004
SMILESCNC(C)C(O)c1ccc([N+](=O)[O-])cc1
InChI KeyBUZKXMMHQZOFBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • dialkylamines
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • phenylpropanes
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • allyl-type 1,3-dipolar organic compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • phenylpropane
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrobenzene
  • nitroaromatic compound
  • alcohol
  • secondary aliphatic amine
  • organic 1,3-dipolar compound
  • secondary amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • organic hyponitrite