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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:07 UTC
Update Date2025-03-25 00:55:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213213
Frequency0.5
Structure
Chemical FormulaC11H15NO2
Molecular Mass193.1103
SMILESCN1CC(O)(C(O)c2ccccc2)C1
InChI KeyOGGRPZJKKUVHFZ-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 heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1,2-diols
  • 1,3-aminoalcohols
  • aromatic alcohols
  • azacyclic compounds
  • azetidines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1,3-aminoalcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • azetidine
  • tertiary alcohol
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol