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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:00 UTC
Update Date2025-03-25 01:02:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253899
Frequency0.5
Structure
Chemical FormulaC21H29NO3
Molecular Mass343.2147
SMILESCC(C)NCC(O)COc1ccc(CC(O)Cc2ccccc2)cc1
InChI KeyMDPNYHWRSPVRCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass linear 1,3-diarylpropanoids
Direct Parent linear 1,3-diarylpropanoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • linear 1,3-diarylpropanoid
  • phenol ether
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • secondary amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine