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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:07 UTC
Update Date2025-03-25 00:53:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201536
Frequency0.5
Structure
Chemical FormulaC8H13O5PS
Molecular Mass252.0221
SMILESCc1cc(CO)sc1CCOP(=O)(O)O
InChI KeySBLIZQDBBGOZBP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass 2,3,5-trisubstituted thiophenes
Direct Parent 2,3,5-trisubstituted thiophenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic oxides
    • Substituents
  • aromatic alcohol
  • alcohol
  • 2,3,5-trisubstituted thiophene
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound