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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:22 UTC
Update Date2025-03-25 00:50:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183867
Frequency0.5
Structure
Chemical FormulaC13H15NO3
Molecular Mass233.1052
SMILESO=C1CCCN1CC1COc2ccccc2O1
InChI KeyACWRKMQYUVVTCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • para dioxins
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • ether
  • lactam
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • benzo-1,4-dioxane
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound