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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:59 UTC
Update Date2025-03-25 00:50:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180756
Frequency0.5
Structure
Chemical FormulaC14H20NO3+
Molecular Mass250.1438
SMILESCOc1cc2c(cc1O)CC([N+](C)(C)C)CC2=O
InChI KeyGUMRMOLSAUCKHS-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • amines
  • anisoles
  • aryl alkyl ketones
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • tetralin
  • phenol ether
  • ether
  • aryl alkyl ketone
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • ketone
  • organic oxide
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound
  • aryl ketone