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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:23 UTC
Update Date2025-03-25 00:47:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163313
Frequency0.5
Structure
Chemical FormulaC19H28O12
Molecular Mass448.1581
SMILESO=C(O)C(CCC(O)Cc1ccc(O)cc1)OCOC1OC(C(O)O)C(O)C(O)C1O
InChI KeyYEEDLROPQGNUCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsaccharolipids
Subclass saccharolipids
Direct Parent saccharolipids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acids
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • heterocyclic fatty acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • medium-chain fatty acid
  • hydroxy fatty acid
  • oxane
  • organoheterocyclic compound
  • alcohol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • saccharolipid
  • organooxygen compound