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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:03 UTC
Update Date2025-03-21 18:35:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108028
Frequency24.8
Structure
Chemical FormulaC12H14O5
Molecular Mass238.0841
SMILESO=C1OCC(Cc2ccc(O)c(O)c2)C1CO
InChI KeyCBHCPMRLMCBHAI-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
  • primary 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
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound