Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:12 UTC
Update Date2025-03-21 18:04:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00053217
Frequency60.9
Structure
Chemical FormulaC10H15NO
Molecular Mass165.1154
SMILESNCCCCc1ccc(O)cc1
InChI KeyIHTJVDOGLJMYTC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound