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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:26 UTC
Update Date2025-03-25 00:56:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218546
Frequency0.5
Structure
Chemical FormulaC18H23NO3
Molecular Mass301.1678
SMILESCNCC(c1cccc(O)c1)C(CO)Cc1cccc(O)c1
InChI KeyCHHDKPBSUDSBCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass cinnamylphenols
Direct Parent cinnamylphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenylbutylamines
  • primary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound
  • amine