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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:45 UTC
Update Date2025-03-25 00:54:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205257
Frequency0.5
Structure
Chemical FormulaC13H25NO10
Molecular Mass355.1478
SMILESNCC1C(O)C(O)C(O)C(OC2C(CO)OC(O)C(O)C2O)C1O
InChI KeyNRKWROAYDYSYCP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclitols and derivatives
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • Substituents
  • ether
  • cyclohexanol
  • monosaccharide
  • cyclitol or derivatives
  • cyclic alcohol
  • dialkyl ether
  • oxacycle
  • saccharide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound