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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:46 UTC
Update Date2025-03-25 00:51:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187132
Frequency0.5
Structure
Chemical FormulaC19H30O6
Molecular Mass354.2042
SMILESCC(C)(C)c1cc(C2OOC(CO)C(O)C2O)cc(C(C)(C)C)c1O
InChI KeyXTCFLUUJQLIZIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-dioxanes
  • dialkyl peroxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • phenols
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • phenylpropane
  • oxacycle
  • organic oxygen compound
  • dialkyl peroxide
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • primary alcohol
  • ortho-dioxane
  • organoheterocyclic compound
  • organooxygen compound