Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:44 UTC
Update Date2025-03-25 00:50:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182484
Frequency0.5
Structure
Chemical FormulaC6H7O5PS
Molecular Mass221.9752
SMILESO=Cc1ccc(COP(O)(O)=S)o1
InChI KeyGJHXCECVKUPBAC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl-aldehydes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • thiophosphate monoesters
  • Substituents
  • furan
  • aromatic heteromonocyclic compound
  • thiophosphoric acid ester
  • heteroaromatic compound
  • thiophosphate monoester
  • organic thiophosphoric acid or derivatives
  • oxacycle
  • organic oxide
  • aryl-aldehyde
  • hydrocarbon derivative
  • organoheterocyclic compound