| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:46 UTC |
|---|
| Update Date | 2025-03-25 00:56:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02221633 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O5S |
|---|
| Molecular Mass | 256.0405 |
|---|
| SMILES | O=C(O)CC(O)CSc1ccc(C(=O)O)cc1 |
|---|
| InChI Key | ADGCQTOPJZUNSY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-sulfanylbenzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkylarylthioethersbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholssulfenyl compoundsthia fatty acidsthiophenol ethersthiophenols |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidbenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherbeta-hydroxy acidorganic oxidethiophenolthiophenol etherhydroxy fatty acidbenzoic acidalcoholsulfenyl compoundhydroxy acidp-sulfanylbenzoic acidaromatic homomonocyclic compoundthia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
