| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:58 UTC |
|---|
| Update Date | 2025-03-21 18:37:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00117546 |
|---|
| Frequency | 22.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO9S |
|---|
| Molecular Mass | 349.0468 |
|---|
| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)NC(=O)OS(=O)(=O)O |
|---|
| InChI Key | APEXWVRLQBXOPO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarbonic acid derivativeorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativen-acyl-aminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativedicarboximideorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
