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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:15 UTC
Update Date2025-03-25 00:49:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172153
Frequency0.5
Structure
Chemical FormulaC13H17NO3
Molecular Mass235.1208
SMILESCN1CC(CO)C(c2ccc3c(c2)OCO3)C1
InChI KeySWAUYCLOTDOUDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • acetals
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • primary alcohol
  • amine
  • tertiary amine
  • organooxygen compound
  • benzodioxole