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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:12 UTC
Update Date2025-03-25 01:00:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245267
Frequency0.5
Structure
Chemical FormulaC15H19NO4
Molecular Mass277.1314
SMILESCN1C2CCC1C(O)(C(O)c1ccc3c(c1)OCO3)C2
InChI KeyYOHAVJHJSSZZPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1,2-diols
  • 1,3-aminoalcohols
  • acetals
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • benzodioxole
  • 1,2-diol
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • cyclic alcohol
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound