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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:49 UTC
Update Date2025-03-25 00:57:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226201
Frequency0.5
Structure
Chemical FormulaC19H28O12
Molecular Mass448.1581
SMILESCC(O)(CCC(=O)OCOC1OC(C(O)O)C(O)C(O)C1O)Cc1cc(O)cc(O)c1
InChI KeyYCYYWDHTDXDPNM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • resorcinols
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • fatty acyl
  • carbonyl group
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • resorcinol
  • phenylpropane
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • fatty acid ester
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound