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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:16 UTC
Update Date2025-03-25 00:46:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158568
Frequency0.5
Structure
Chemical FormulaC14H17NO3
Molecular Mass247.1208
SMILESOC1(c2ccc3c(c2)OCO3)CC2CCCN2C1
InChI KeyOMFPFLNWNTYJSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • acetals
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolizidines
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • pyrrolizidine
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound
  • benzodioxole