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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:20 UTC
Update Date2025-03-21 18:40:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130250
Frequency19.5
Structure
Chemical FormulaC16H22O7
Molecular Mass326.1366
SMILESO=C(CCC(O)Cc1ccccc1)OC1OC(CO)C(O)C1O
InChI KeyJPALEMDDQULDNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • monosaccharide
  • carboxylic acid derivative
  • oxacycle
  • fatty acid ester
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound