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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:25 UTC
Update Date2025-03-25 00:55:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213891
Frequency0.5
Structure
Chemical FormulaC18H29NO2
Molecular Mass291.2198
SMILESCCNC(C)C(c1ccc(OC)cc1)C1(O)CCCCC1
InChI KeySVMZBCODWIBGGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • cyclic alcohols and derivatives
  • cyclohexanols
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • ether
  • cyclohexanol
  • cyclic alcohol
  • alkyl aryl ether
  • secondary amine
  • methoxybenzene
  • phenylpropane
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine