Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:11 UTC
Update Date2025-03-21 18:01:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00031788
Frequency115.4
Structure
Chemical FormulaC5H6O5S
Molecular Mass177.9936
SMILESCc1ccc(OS(=O)(=O)O)o1
InChI KeyDYLGWOWSNPYYKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent arylsulfates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • sulfuric acid monoesters
  • Substituents
  • furan
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • sulfuric acid ester
  • organoheterocyclic compound
  • organooxygen compound