Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:40 UTC
Update Date2025-03-21 18:03:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042505
Frequency80.4
Structure
Chemical FormulaC14H21NO6
Molecular Mass299.1369
SMILESNCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1
InChI KeyURCADIGEIOYLRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound