Hmdb loader

Showing information for DMID00119458

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:46 UTC
Update Date2025-03-21 18:38:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119458
Frequency21.8
Structure
Chemical FormulaC10H12O6S
Molecular Mass260.0355
SMILESCS(=O)(=O)Oc1cc(CCC(=O)O)ccc1O
InChI KeyILPGSLOEBICBRT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • methanesulfonates
  • monocarboxylic acids and derivatives
  • organic oxides
  • organosulfonic acid esters
  • phenoxy compounds
  • sulfonic acid esters
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • carboxylic acid derivative
  • organosulfonic acid ester
  • aromatic homomonocyclic compound
  • sulfonic acid ester
  • methanesulfonate
  • organic oxide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound