Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:48 UTC
Update Date2025-03-25 00:56:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217034
Frequency0.5
Structure
Chemical FormulaC8H8O2S
Molecular Mass168.0245
SMILESOCc1ccccc1C(O)=S
InChI KeyVDIRYCFKOYIGJV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzyl alcohols
Direct Parent benzyl alcohols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • carbodithioic acids
  • carbonyl compounds
  • carbothioic o-acids
  • hydrocarbon derivatives
  • thiocarbonyl compounds
  • thiocarboxylic acids and derivatives
  • Substituents
  • aromatic alcohol
  • alcohol
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • thiocarbonyl group
  • carbodithioic acid
  • benzyl alcohol
  • organosulfur compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • carbothioic o-acid
  • hydrocarbon derivative
  • organooxygen compound