Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:30 UTC
Update Date2025-03-25 00:48:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168182
Frequency0.5
Structure
Chemical FormulaC13H19NO
Molecular Mass205.1467
SMILESCC(C1CCCN1)C(O)c1ccccc1
InChI KeyHGQFELGOSIFICZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrrolidines
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • secondary amine
  • phenylpropane
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • organooxygen compound
  • amine