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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:02 UTC
Update Date2025-03-21 18:41:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136416
Frequency18.4
Structure
Chemical FormulaC25H38O12
Molecular Mass530.2363
SMILESCC(C)Cc1ccc(C(C)C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc1
InChI KeyLYRZTEQGGURBTJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent aromatic monoterpenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenylpropanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • aromatic heteromonocyclic compound
  • monosaccharide
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid