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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:40 UTC
Update Date2025-03-21 18:07:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068531
Frequency44.2
Structure
Chemical FormulaC17H21NO4
Molecular Mass303.1471
SMILESC=CC1(O)CN2CCC1CC2C(O)c1ccc2c(c1)OCO2
InChI KeyXBGKHTFVUQXPDF-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
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • quinuclidines
  • secondary alcohols
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • quinuclidine
  • tertiary aliphatic amine
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • organooxygen compound
  • benzodioxole