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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:18 UTC
Update Date2025-03-25 01:00:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240781
Frequency0.5
Structure
Chemical FormulaC11H14O5
Molecular Mass226.0841
SMILESCC(=O)Oc1cc(CC(O)CO)ccc1O
InChI KeyHJIIYJSEZKVGSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • primary alcohol
  • organooxygen compound
  • 1,2-diol