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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:21 UTC
Update Date2025-03-25 00:50:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181600
Frequency0.5
Structure
Chemical FormulaC24H27NO9
Molecular Mass473.1686
SMILESO=C(O)CCCCCn1c2ccccc2c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc21
InChI KeyJBPWZAAIZUNCFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsaccharolipids
Subclass saccharolipids
Direct Parent saccharolipids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • amino fatty acids
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbazoles
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • indoles
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monosaccharides
  • n-alkylindoles
  • o-glucuronides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • secondary alcohols
  • substituted pyrroles
    • Substituents
  • fatty acyl
  • phenol ether
  • carbonyl group
  • n-alkylindole
  • carboxylic acid
  • glucuronic acid or derivatives
  • heterocyclic fatty acid
  • indole
  • o-glucuronide
  • monosaccharide
  • fatty acid
  • substituted pyrrole
  • carboxylic acid derivative
  • pyran carboxylic acid
  • medium-chain hydroxy acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • hydroxy acid
  • amino fatty acid
  • carbazole
  • oxacycle
  • organic oxygen compound
  • pyran
  • pyrrole
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • saccharolipid
  • organooxygen compound