Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:23 UTC
Update Date2025-03-25 00:54:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204416
Frequency0.5
Structure
Chemical FormulaC10H10O5
Molecular Mass210.0528
SMILESOc1cc(C2OCC3OC32)cc(O)c1O
InChI KeyYHQQZLCREVUMMN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenetriols and derivatives
Direct Parent pyrogallols and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-dioxanes
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • monocyclic benzene moiety
  • ether
  • pyrogallol derivative
  • tetrahydrofuran
  • oxirane
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • para-dioxane
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound