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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:08 UTC
Update Date2025-03-25 00:50:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183368
Frequency0.5
Structure
Chemical FormulaC11H12O6
Molecular Mass240.0634
SMILESO=C1C(c2ccc(O)c(O)c2)OCC(O)C1O
InChI KeyAXWOKXNZODBDPZ-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
  • 1,2-diols
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol