Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:37 UTC
Update Date2025-03-21 18:33:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00097102
Frequency28.4
Structure
Chemical FormulaC16H21NO3
Molecular Mass275.1521
SMILESCC(C)NCC(O)COc1cccc2cc(O)ccc12
InChI KeyLMAJNTFMXMHOBQ-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
  • alkyl aryl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenol ethers
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • secondary amine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 2-naphthol
  • organooxygen compound
  • amine