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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:01 UTC
Update Date2025-03-25 00:53:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201317
Frequency0.5
Structure
Chemical FormulaC20H25NO3
Molecular Mass327.1834
SMILESCOc1ccc(C(CN(C)C)C2(O)CCc3cc(O)ccc32)cc1
InChI KeyVNJNUJDNXJBSMV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1,3-aminoalcohol
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • methoxybenzene
  • tertiary alcohol
  • organic oxygen compound
  • anisole
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • tertiary amine
  • organooxygen compound