Hmdb loader

Showing information for DMID00035649

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:48 UTC
Update Date2025-03-21 18:01:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00035649
Frequency99.8
Structure
Chemical FormulaC23H32O13
Molecular Mass516.1843
SMILESCC1OC(OCC2OC(Oc3ccc(CC4CCC(=O)O4)cc3O)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyXECMEYPXTAMLKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acyl glycosides
Direct Parent fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl glycosides
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • alkyl glycoside