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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:02 UTC
Update Date2025-03-25 00:46:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153578
Frequency0.5
Structure
Chemical FormulaC18H25NO10
Molecular Mass415.1478
SMILESCOc1ccc(CCCC(N)C(=O)O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyXNADEEUGBOVEAI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsaccharolipids
Subclass saccharolipids
Direct Parent saccharolipids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • alpha amino acids
  • amino fatty acids
  • anisoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • methoxybenzenes
  • monoalkylamines
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • phenylbutylamines
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • alpha-amino acid or derivatives
  • pyran carboxylic acid
  • medium-chain hydroxy acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • phenylbutylamine
  • acetal
  • organonitrogen compound
  • alpha-amino acid
  • hydroxy fatty acid
  • oxane
  • organoheterocyclic compound
  • alcohol
  • methoxybenzene
  • anisole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • phenoxy compound
  • fatty acyl
  • carbonyl group
  • ether
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • heterocyclic fatty acid
  • fatty acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organopnictogen compound
  • medium-chain fatty acid
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • amino fatty acid
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • benzenoid
  • organic nitrogen compound
  • saccharolipid
  • organooxygen compound