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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:53 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155579
Frequency0.5
Structure
Chemical FormulaC14H19NO5PS+
Molecular Mass344.0716
SMILESCc1ccc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(O)c1
InChI KeyRJDJJYLSYHUBDO-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent meta cresols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4,5-disubstituted thiazoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organoheterocyclic compound
  • azole
  • m-cresol
  • azacycle
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • 4,5-disubstituted 1,3-thiazole
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiazole
  • toluene
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound