Hmdb loader

Showing information for DMID02169691

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:10 UTC
Update Date2025-03-25 00:48:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169691
Frequency0.5
Structure
Chemical FormulaC14H20O9S
Molecular Mass364.0828
SMILESCCc1ccc(OC2OC(CO)C(O)C(OS(=O)(=O)O)C2O)cc1
InChI KeyNKNGMGXBZKLIEG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl sulfates
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • aromatic heteromonocyclic compound
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxide
  • organic oxygen compound
  • acetal
  • alkyl sulfate
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • phenoxy compound
  • oxane
  • sulfuric acid ester
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound