Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:02 UTC
Update Date2025-03-25 00:57:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222256
Frequency0.5
Structure
Chemical FormulaC9H12O5
Molecular Mass200.0685
SMILESOCCc1cc(O)c(O)c(OCO)c1
InChI KeyOIUNGCJHIOOBBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass tyrosols and derivatives
Direct Parent tyrosols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alcohols and polyols
  • hemiacetals
  • hydrocarbon derivatives
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • tyrosol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • hemiacetal
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound