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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:28 UTC
Update Date2025-03-25 00:48:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165828
Frequency0.5
Structure
Chemical FormulaC13H22O8
Molecular Mass306.1315
SMILESCC1C=CC(OC2OC(CO)C(O)C(O)C2O)C(CO)O1
InChI KeyYHIVAVSNMUADKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyrans
Direct Parent pyrans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • pyran
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organooxygen compound