Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:32 UTC
Update Date2025-03-25 00:47:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159158
Frequency0.5
Structure
Chemical FormulaC8H10O5
Molecular Mass186.0528
SMILESOCOc1cc(CO)cc(O)c1O
InChI KeyITWIQNQGNPBMFR-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
  • aromatic alcohols
  • benzyl alcohols
  • hemiacetals
  • hydrocarbon derivatives
  • phenoxy compounds
  • Substituents
  • aromatic alcohol
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzyl alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • hemiacetal
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound