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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:49 UTC
Update Date2025-03-25 00:57:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224045
Frequency0.5
Structure
Chemical FormulaC17H20O7
Molecular Mass336.1209
SMILESO=C(CCC(O)Cc1ccccc1)OC1OC(C(=O)O)C=CC1O
InChI KeyBDMKLWXQDBATAH-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
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • oxacycle
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound