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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:17 UTC
Update Date2025-03-25 01:01:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252339
Frequency0.5
Structure
Chemical FormulaC9H11N2O4+
Molecular Mass211.0713
SMILESNc1ccc(O)cc1C(=O)CC[N+](=O)O
InChI KeyQUILXQRXBWZMQC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl alkyl ketones
  • benzoyl derivatives
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • allyl-type 1,3-dipolar organic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • vinylogous amide
  • organic 1,3-dipolar compound
  • aromatic homomonocyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • alkyl-phenylketone
  • organic hyponitrite