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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:19 UTC
Update Date2025-03-25 01:01:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247851
Frequency0.5
Structure
Chemical FormulaC14H20NO2+
Molecular Mass234.1489
SMILESCOc1cc2c(cc1O)CC[N+]21CCCCC1
InChI KeyDSYBXUROORUMBM-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • amines
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • piperidines
  • quaternary ammonium salts
    • Substituents
  • phenol ether
  • ether
  • azacycle
  • indole
  • quaternary ammonium salt
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic cation
  • organic salt
  • piperidine
  • amine
  • organooxygen compound