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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:14 UTC
Update Date2025-03-25 00:57:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222717
Frequency0.5
Structure
Chemical FormulaC9H10N2O4
Molecular Mass210.0641
SMILESO=[N+]([O-])C=C(CO)Nc1ccc(O)cc1
InChI KeyREVVGOLGTJDCHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alcohols and polyols
  • benzene and substituted derivatives
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • organic nitro compound
  • secondary aliphatic/aromatic amine
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic oxoazanium
  • organooxygen compound
  • organic hyponitrite