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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:27 UTC
Update Date2025-03-25 00:46:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154565
Frequency0.5
Structure
Chemical FormulaC22H29NO3
Molecular Mass355.2147
SMILESCOc1ccc(C2(CCCCN(C)C)OCc3cc(OC)ccc32)cc1
InChI KeyDPMLBOFWCDOJFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isocoumarans
Direct Parent isocoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • dialkyl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • tertiary aliphatic amine
  • alkyl aryl ether
  • methoxybenzene
  • dialkyl ether
  • oxacycle
  • isocoumaran
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • tertiary amine
  • organooxygen compound