Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:30 UTC
Update Date2025-03-25 00:47:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163579
Frequency0.5
Structure
Chemical FormulaC16H22N2O
Molecular Mass258.1732
SMILESCC1(O)CCC(NCc2c[nH]c3ccccc23)CC1
InChI KeyUIBVUJAQZXKRER-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • cyclic alcohols and derivatives
  • cyclohexanols
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrroles
  • tertiary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • indole
  • heteroaromatic compound
  • cyclohexanol
  • cyclic alcohol
  • secondary amine
  • tertiary alcohol
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine