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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:44 UTC
Update Date2025-03-21 18:01:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00030701
Frequency120.9
Structure
Chemical FormulaC12H20NO2+
Molecular Mass210.1489
SMILESCOc1cc(CC[N+](C)(C)C)ccc1O
InChI KeyXVTYRRFKBXWKCY-UHFFFAOYSA-O
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
  • amines
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic cations
  • organic salts
  • organopnictogen compounds
  • phenethylamines
  • phenoxy compounds
  • tetraalkylammonium salts
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • phenethylamine
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound