Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:22 UTC
Update Date2025-03-21 18:31:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086968
Frequency32.7
Structure
Chemical FormulaC13H18N2O
Molecular Mass218.1419
SMILESCCNCCc1c[nH]c2ccc(OC)cc12
InChI KeyUNPLGMNGAFLKSH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • phenol ether
  • secondary aliphatic amine
  • ether
  • azacycle
  • indole
  • heteroaromatic compound
  • alkyl aryl ether
  • secondary amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine