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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:41 UTC
Update Date2025-03-25 00:53:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200563
Frequency0.5
Structure
Chemical FormulaC21H27NO4
Molecular Mass357.194
SMILESCOc1ccc(CCC2c3cc(OC)c(OC)cc3CCN2C)cc1O
InChI KeyADGIVIBVTUTSNC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classphenethylisoquinoline alkaloids
Subclass phenethylisoquinoline alkaloids
Direct Parent phenethylisoquinoline alkaloids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 1-phenethyltetrahydroisoquinolines
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organopnictogen compounds
  • phenoxy compounds
  • trialkylamines
    • Substituents
  • 1-phenethyltetrahydroisoquinoline
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • aralkylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • tertiary aliphatic amine
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • phenethylisoquinoline alkaloid
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound