Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:38 UTC
Update Date2025-03-21 18:35:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104545
Frequency25.9
Structure
Chemical FormulaC13H16N2O
Molecular Mass216.1263
SMILESCOc1ccc2[nH]c3c(c2c1)CCN(C)C3
InChI KeyWOIXRQJXGWXSBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass pyridoindoles
Direct Parent beta carbolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organopnictogen compounds
  • pyrroles
  • trialkylamines
  • Substituents
  • phenol ether
  • ether
  • indole
  • alkyl aryl ether
  • aralkylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • organic oxygen compound
  • anisole
  • pyrrole
  • beta-carboline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound