| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:53 UTC |
|---|
| Update Date | 2025-03-21 18:03:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00045489 |
|---|
| Frequency | 74.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6O5S |
|---|
| Molecular Mass | 201.9936 |
|---|
| SMILES | O=C(O)c1ccc(O)cc1S(=O)O |
|---|
| InChI Key | XGJAUMPGODPHRD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | o-sulfanylbenzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundssulfinic acids |
|---|
| Substituents | carboxylic acidsulfinic acid derivativebenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativesulfinic acidhydroxybenzoic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-sulfanylbenzoic acidphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
|---|
