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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:39 UTC
Update Date2025-03-21 18:06:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00066100
Frequency46.2
Structure
Chemical FormulaC10H10O5
Molecular Mass210.0528
SMILESO=C1OC(c2ccc(O)c(O)c2)CC1O
InChI KeyILKAZJCQMTZBEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound