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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:53 UTC
Update Date2025-03-25 00:49:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02173618
Frequency0.5
Structure
Chemical FormulaC19H30O4
Molecular Mass322.2144
SMILESCCC(CCC(C)O)COC(=O)c1cc(C(C)(C)C)ccc1O
InChI KeyMVLKORLGZPHXSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent o-hydroxybenzoic acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzoyl derivatives
  • carboxylic acid esters
  • fatty alcohols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanes
  • salicylic acid and derivatives
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • alcohol
  • fatty acyl
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • salicylic acid or derivatives
  • o-hydroxybenzoic acid ester
  • fatty alcohol
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound