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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:31 UTC
Update Date2025-03-25 00:59:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234493
Frequency0.5
Structure
Chemical FormulaC13H22NO3+
Molecular Mass240.1594
SMILESC[N+](C)(C)CC(CO)Cc1ccc(O)c(O)c1
InChI KeyVOHRQVRCSYDYRP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • 1-hydroxy-4-unsubstituted benzenoids
  • amines
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • primary alcohols
  • tetraalkylammonium salts
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 1,3-aminoalcohol
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • primary alcohol
  • amine
  • organooxygen compound