Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:37 UTC
Update Date2025-03-25 00:47:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161558
Frequency0.5
Structure
Chemical FormulaC12H20N2O5
Molecular Mass272.1372
SMILESNCCc1c[nH]c(C2OC(CO)C(O)C(O)C2O)c1
InChI KeyZNPLGYGUKATJON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyrroles
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound