Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:56 UTC
Update Date2025-03-21 18:01:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00031181
Frequency118.5
Structure
Chemical FormulaC12H16O7
Molecular Mass272.0896
SMILESOc1ccccc1OC1C(O)C(O)C(O)C(O)C1O
InChI KeyXUJHRKPQTVWOMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • phenoxy compounds
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • cyclohexanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • alkyl aryl ether
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound