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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:37 UTC
Update Date2025-03-21 18:33:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094674
Frequency29.4
Structure
Chemical FormulaC14H17NO3
Molecular Mass247.1208
SMILESCN1CC2COC(c3ccc4c(c3)OCO4)C2C1
InChI KeyWYSHBXUCBOBYOE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • trialkylamines
    • Substituents
  • ether
  • azacycle
  • n-alkylpyrrolidine
  • tetrahydrofuran
  • tertiary aliphatic amine
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound
  • benzodioxole