Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:08 UTC
Update Date2025-03-25 00:48:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169585
Frequency0.5
Structure
Chemical FormulaC8H12O2S
Molecular Mass172.0558
SMILESCCSCc1ccc(CO)o1
InChI KeyIGWCCTRYUULVRG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furans
Direct Parent furans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • oxacyclic compounds
  • sulfenyl compounds
  • Substituents
  • aromatic alcohol
  • alcohol
  • furan
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • dialkylthioether
  • heteroaromatic compound
  • organosulfur compound
  • oxacycle
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organooxygen compound