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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:04 UTC
Update Date2025-03-21 18:36:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110520
Frequency24.1
Structure
Chemical FormulaC18H26O5
Molecular Mass322.178
SMILESCC(OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O
InChI KeyHRJDSTVPJMNVSI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent p-hydroxybenzoic acid alkyl esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • phenols
  • phenylpropanes
    • Substituents
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • carboxylic acid derivative
  • p-hydroxybenzoic acid alkyl ester
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • organooxygen compound