Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:23 UTC
Update Date2025-03-25 00:51:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186230
Frequency0.5
Structure
Chemical FormulaC17H19NO
Molecular Mass253.1467
SMILESNCCC1(O)c2ccccc2CCc2ccccc21
InChI KeyYUUJMEZNDZUJCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classdibenzocycloheptenes
Subclass dibenzocycloheptenes
Direct Parent dibenzocycloheptenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • aromatic homopolycyclic compound
  • dibenzocycloheptene
  • tertiary alcohol
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound