| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:57 UTC |
|---|
| Update Date | 2025-03-21 18:30:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00083679 |
|---|
| Frequency | 34.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O7S |
|---|
| Molecular Mass | 259.9991 |
|---|
| SMILES | Cc1ccc(C(=O)O)cc1C(=O)OS(=O)(=O)O |
|---|
| InChI Key | AFGFXZHNZNNGBV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-phthalic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesterstoluenes |
|---|
| Substituents | sulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativesbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativesmeta_phthalic_acidhydrocarbon derivativebenzoic acidsulfuric acid estertolueneorganooxygen compound |
|---|
