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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:32 UTC
Update Date2025-03-25 00:52:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191084
Frequency0.5
Structure
Chemical FormulaC18H25NO3
Molecular Mass303.1834
SMILESC=CC1(O)CC(C(O)c2ccc(OC)cc2)N2CCCCC21
InChI KeyYZGFMQXRJVDWAM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindolizidines
Subclass indolizidines
Direct Parent indolizidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • phenoxy compounds
  • piperidines
  • secondary alcohols
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • piperidine
  • tertiary amine
  • alcohol
  • indolizidine
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • methoxybenzene
  • tertiary alcohol
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound