Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:44 UTC
Update Date2025-03-21 18:41:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133491
Frequency18.9
Structure
Chemical FormulaC8H10O2S
Molecular Mass170.0402
SMILESCS(=O)Cc1ccccc1O
InChI KeyQYYNZHIHJDSTMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzyl sulfoxides
Direct Parent benzyl alkyl sulfoxides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • sulfinyl compounds
  • sulfoxides
  • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfur compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • sulfoxide
  • phenol
  • hydrocarbon derivative
  • benzyl alkyl sulfoxide
  • organooxygen compound