Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:15 UTC
Update Date2025-03-25 01:00:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02243005
Frequency0.5
Structure
Chemical FormulaC9H10O3S
Molecular Mass198.0351
SMILESC=C(C)c1ccc(OS(=O)O)cc1
InChI KeyVSQPGTSRRQKHAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropenes
Direct Parent phenylpropenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • phenoxy compounds
  • Substituents
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • phenylpropene
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound