Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:19 UTC
Update Date2025-03-21 18:39:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127804
Frequency20.0
Structure
Chemical FormulaC12H22O9
Molecular Mass310.1264
SMILESCC1CC(O)C(O)C(OC(C(O)CO)C(O)C(O)C=O)O1
InChI KeyJHXQJJGGSPPWGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty alcohols
Direct Parent fatty alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy aldehyde
  • carbonyl group
  • monosaccharide
  • aldehyde
  • oxacycle
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • organic oxygen compound
  • acetal
  • fatty alcohol
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound