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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:54 UTC
Update Date2025-03-25 00:51:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189705
Frequency0.5
Structure
Chemical FormulaC14H21NO3
Molecular Mass251.1521
SMILESCC(C)NCC(O)COC1COc2ccccc21
InChI KeyORNMWVAGISFURD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • dialkyl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • ether
  • alkyl aryl ether
  • secondary amine
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • coumaran
  • organooxygen compound
  • amine