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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:44 UTC
Update Date2025-03-25 01:01:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248792
Frequency0.5
Structure
Chemical FormulaC12H20NO3+
Molecular Mass226.1438
SMILESCOc1ccc(C(O)C(O)[N+](C)(C)C)cc1
InChI KeyKNNUGEOPLQHYQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aromatic alcohols
  • cholines
  • hemiaminals
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic cations
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • hemiaminal
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • alkanolamine
  • alcohol
  • tetraalkylammonium salt
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • choline
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound