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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:18 UTC
Update Date2025-03-21 18:39:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127764
Frequency20.0
Structure
Chemical FormulaC17H22O8
Molecular Mass354.1315
SMILESO=C(CCC(O)Cc1ccccc1)OC1CC(O)C(O)C(C(=O)O)O1
InChI KeyGAHUBFVNFYAGEA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • fatty acid ester
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound