Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:52 UTC
Update Date2025-03-25 00:59:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239787
Frequency0.5
Structure
Chemical FormulaC16H19NO5
Molecular Mass305.1263
SMILESNC1C(O)OC(COc2cccc3ccccc23)C(O)C1O
InChI KeyCUSIETIJRGZEBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl aryl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • ether
  • monosaccharide
  • alkyl aryl ether
  • oxacycle
  • saccharide
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol