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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:14 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172115
Frequency0.5
Structure
Chemical FormulaC16H17NO3
Molecular Mass271.1208
SMILESCN1CCC23CC1C1C=CC2Oc2ccc(O)c(c23)O1
InChI KeyXHNBBIBLZDKLKO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • trialkylamines
    • Substituents
  • ether
  • azacycle
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • coumaran
  • organooxygen compound