| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:10 UTC |
|---|
| Update Date | 2025-03-25 00:54:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02206172 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H17NO6S |
|---|
| Molecular Mass | 315.0777 |
|---|
| SMILES | NC(CCSCCC(=O)c1c(O)cc(O)cc1O)C(=O)O |
|---|
| InChI Key | SIEYPSSNRIVVFL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacylphloroglucinols and derivativesalpha amino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsvinylogous acids |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativephloroglucinol derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidacylphloroglucinol derivativesulfenyl compounddialkylthioetherbenzenetriol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesthia fatty acidthioetherphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
|---|
