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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:16 UTC
Update Date2025-03-25 00:45:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149409
Frequency0.5
Structure
Chemical FormulaC20H25NO4
Molecular Mass343.1784
SMILESCOc1ccc2c3c1OC1C(CO)C(O)C=CC2C2CC31CCN2C
InChI KeyNDEVKKALBUFBAM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • coumarans
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • primary alcohols
  • secondary alcohols
  • trialkylamines
    • Substituents
  • tetralin
  • phenol ether
  • ether
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • coumaran
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound