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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:52 UTC
Update Date2025-03-21 17:57:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00008153
Frequency605.0
Structure
Chemical FormulaC11H17NO
Molecular Mass179.131
SMILESCN(C)CCC(O)c1ccccc1
InChI KeyVELGOYBSKBKQFF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • aromatic alcohols
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
  • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1,3-aminoalcohol
  • tertiary aliphatic amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound