Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:30 UTC
Update Date2025-03-21 18:40:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128272
Frequency19.9
Structure
Chemical FormulaC14H21NO5
Molecular Mass283.142
SMILESNCCc1ccc(OC2CC(O)C(O)C(O)C2O)cc1
InChI KeyBSCIIDJWEATSME-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • alkyl aryl ether
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound