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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:21 UTC
Update Date2025-03-21 18:38:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118491
Frequency22.1
Structure
Chemical FormulaC13H20O6
Molecular Mass272.126
SMILESCC1(C)CC2(C(=O)O)OCC3OC(C)(C)OC3C2O1
InChI KeyFIHRHRWTIAIYOU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxolopyrans
Subclass dioxolopyrans
Direct Parent dioxolopyrans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • furans
  • furopyrans
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • tetrahydrofurans
    • Substituents
  • furan
  • meta-dioxolane
  • carbonyl group
  • ether
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • oxane
  • dioxolopyran
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • furopyran
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • hydrocarbon derivative
  • organooxygen compound