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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:04 UTC
Update Date2025-03-21 18:39:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124792
Frequency20.6
Structure
Chemical FormulaC9H11NO4
Molecular Mass197.0688
SMILESCOc1cc(CC[N+](=O)[O-])ccc1O
InChI KeySRXYTHWJEJQHCP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • c-nitro compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • organic 1,3-dipolar compound
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • organic hyponitrite