Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:38 UTC
Update Date2025-03-21 18:39:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123779
Frequency20.8
Structure
Chemical FormulaC13H15NO2
Molecular Mass217.1103
SMILESCNCC(O)c1cccc2ccc(O)cc12
InChI KeyGPFXMJUNYOIUQW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • secondary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • secondary amine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 2-naphthol
  • organooxygen compound
  • amine