Hmdb loader

Showing information for DMID00116388

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:30 UTC
Update Date2025-03-21 18:37:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116388
Frequency22.6
Structure
Chemical FormulaC11H12O5
Molecular Mass224.0685
SMILESO=C1CC(c2ccc(O)c(O)c2)OC1CO
InChI KeyLQFBUGXWDTZJBZ-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
  • cyclic ketones
  • dialkyl ethers
  • furanones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • primary alcohol
  • 3-furanone
  • organoheterocyclic compound
  • organooxygen compound