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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:32 UTC
Update Date2025-03-25 00:50:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179729
Frequency0.5
Structure
Chemical FormulaC10H12O3
Molecular Mass180.0786
SMILESOc1ccc(O)c(C2CCCO2)c1
InChI KeyLGACKZCRQYRKDP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent hydroquinones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • dialkyl ether
  • hydroquinone
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound