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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:28 UTC
Update Date2025-03-25 00:47:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159017
Frequency0.5
Structure
Chemical FormulaC11H15NO3
Molecular Mass209.1052
SMILESOCCCN1CCc2cc(O)c(O)cc21
InChI KeyFHMHRDCWIGASHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • alcohols and polyols
  • azacyclic compounds
  • benzenoids
  • dialkylarylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
    • Substituents
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • tertiary amine
  • organooxygen compound