Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:55 UTC
Update Date2025-03-25 00:59:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237647
Frequency0.5
Structure
Chemical FormulaC9H8O4S
Molecular Mass212.0143
SMILESO=C1C2=CC=C[SH](=O)(O)OC1=CC=C2
InChI KeyBQSSBVHDOOZKSU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • ketone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • hydrocarbon derivative
  • alkylthiol
  • organoheterocyclic compound