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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:05 UTC
Update Date2025-03-25 00:53:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199153
Frequency0.5
Structure
Chemical FormulaC20H26O6
Molecular Mass362.1729
SMILESCC1C(OC(=O)C=CC=Cc2ccc(O)cc2)OC(C(O)O)C(C)C1C
InChI KeyUWXWLASJDKOCFI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carbonyl hydrates
  • enoate esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • Substituents
  • enoate ester
  • monocyclic benzene moiety
  • carbonyl group
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • organoheterocyclic compound
  • organooxygen compound