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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:03:34 UTC
Update Date2025-03-21 18:28:15 UTC
HMDB IDHMDB0035322
Metabolite Identification
DeepMet IDDMID00070697
NameFagopyritol B2
Frequency42.5
Structure
Chemical FormulaC18H32O16
Molecular Mass504.169
SMILESOCC1OC(OCC2OC(OC3C(O)C(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyMWNCPUNLDATDBW-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
  • acetals
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • Substituents
  • cyclohexanol
  • monosaccharide
  • cyclitol or derivatives
  • cyclic alcohol
  • oxacycle
  • saccharide
  • acetal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound