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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:53 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230744
Frequency0.5
Structure
Chemical FormulaC14H17NO3
Molecular Mass247.1208
SMILESCN1C2CC(C(O)c3ccc4c(c3)OCO4)C1C2
InChI KeyXUDSPOYDXGZGGR-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
  • aromatic alcohols
  • azacyclic compounds
  • azetidines
  • benzenoids
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • azetidine
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound
  • benzodioxole