| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:34 UTC |
|---|
| Update Date | 2025-03-21 18:37:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00116549 |
|---|
| Frequency | 22.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O7S |
|---|
| Molecular Mass | 304.0617 |
|---|
| SMILES | CO[SH](=O)(O)Oc1cc(O)cc(CC2CCC(=O)O2)c1 |
|---|
| InChI Key | CHTKZBMSLYXSNE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenoxy compounds |
|---|
| Direct Parent | phenoxy compounds |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | carbonyl grouparomatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
|---|
