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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:00 UTC
Update Date2025-03-21 18:06:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00064527
Frequency47.6
Structure
Chemical FormulaC17H22O7
Molecular Mass338.1366
SMILESO=C1CCC(Cc2cccc(C3OC(CO)C(O)C(O)C3O)c2)O1
InChI KeyPOPHUFHVODNEGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • saccharide
  • organic oxide
  • oxane
  • primary alcohol
  • alcohol
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound