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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:35 UTC
Update Date2025-03-25 00:48:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166090
Frequency0.5
Structure
Chemical FormulaC13H22O9
Molecular Mass322.1264
SMILESCC1OC(=O)C(C)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI KeyAHMBINGFOUFIJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • delta valerolactone
  • monosaccharide
  • carboxylic acid derivative
  • oxacycle
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • delta_valerolactone
  • organooxygen compound