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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:44 UTC
Update Date2025-03-25 00:50:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180182
Frequency0.5
Structure
Chemical FormulaC21H30O13
Molecular Mass490.1686
SMILESCOc1cc(CC(=O)CC(O)CCC(=O)OCOC2OC(C(O)O)C(O)C(O)C2O)ccc1O
InChI KeyVFFQVEPMWAZQSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • beta-hydroxy ketones
  • carbonyl hydrates
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • fatty acyl
  • beta-hydroxy ketone
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • methoxybenzene
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound