Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:02 UTC
Update Date2025-03-25 01:00:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244861
Frequency0.5
Structure
Chemical FormulaC15H17NO2
Molecular Mass243.1259
SMILESCN(C)CCc1cccc2cc3c(cc12)OCO3
InChI KeyBYQUNADYEDSGOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • benzodioxoles
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenethylamines
  • trialkylamines
  • Substituents
  • tertiary aliphatic amine
  • phenethylamine
  • oxacycle
  • naphthalene
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound
  • benzodioxole