| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:14 UTC |
|---|
| Update Date | 2025-03-25 00:47:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162984 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O6S |
|---|
| Molecular Mass | 302.0824 |
|---|
| SMILES | O=C(CCC(O)Cc1ccccc1)OS(=O)(=O)CCO |
|---|
| InChI Key | UQGHNGBISWNZQC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acids and derivativessecondary alcoholssulfonyls |
|---|
| Substituents | alcoholorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl grouporganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
