Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:01 UTC
Update Date2025-03-25 00:49:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176238
Frequency0.5
Structure
Chemical FormulaC12H26N2O8
Molecular Mass326.1689
SMILESNC1CC(O)C(N)C(C(O)C(O)CO)OC1C(O)C(O)CO
InChI KeyYFJCRAJVSPYGCW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • oxepane
  • oxacycle
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound