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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:36 UTC
Update Date2025-03-25 00:59:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236924
Frequency0.5
Structure
Chemical FormulaC18H26O9
Molecular Mass386.1577
SMILESO=C(CCC(O)Cc1ccccc1)OC1OC(CO)C(O)C(O)C(O)C1O
InChI KeyMMQMGWMGTYYACJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • oxepane
  • oxacycle
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organooxygen compound