Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:43 UTC
Update Date2025-03-21 18:03:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042635
Frequency80.1
Structure
Chemical FormulaC20H23NO2
Molecular Mass309.1729
SMILESCC(C)NCC(O)COc1cccc2ccc3ccccc3c12
InChI KeyLPOICUHGSNGNLD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrenes and derivatives
Direct Parent phenanthrenes and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • naphthalenes
  • organopnictogen compounds
  • phenol ethers
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • phenanthrene
  • ether
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • secondary amine
  • naphthalene
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine