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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:10 UTC
Update Date2025-03-25 00:59:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240505
Frequency0.5
Structure
Chemical FormulaC13H14O5
Molecular Mass250.0841
SMILESO=C1OCC2C(O)C(O)C(c3ccc(O)cc3)C12
InChI KeyHUIJBSOHMFWZNF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic alcohol
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol