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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:16 UTC
Update Date2025-03-25 00:47:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163038
Frequency0.5
Structure
Chemical FormulaC17H24O10
Molecular Mass388.1369
SMILESO=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCC1OC(CO)C(O)C1O
InChI KeyCNPBGESKMUDGJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenetriols and derivatives
Direct Parent pyrogallols and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • saccharide
  • organic oxide
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyrogallol derivative
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound