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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:38 UTC
Update Date2025-03-25 00:56:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218980
Frequency0.5
Structure
Chemical FormulaC21H27NO4
Molecular Mass357.194
SMILESCOc1ccc(CC2C(Cc3ccc(O)c(OC)c3)CCN2C)cc1O
InChI KeySYDOGTBTDPUJCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • phenoxy compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound