Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:15 UTC
Update Date2025-03-25 00:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204112
Frequency0.5
Structure
Chemical FormulaC13H19NO
Molecular Mass205.1467
SMILESOc1ccc(CCN2CCCCC2)cc1
InChI KeyCEHROLDZFZBIBK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent phenethylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • piperidines
  • trialkylamines
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenethylamine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound