| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:53 UTC |
|---|
| Update Date | 2025-03-21 17:58:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00012899 |
|---|
| Frequency | 350.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H8O5S |
|---|
| Molecular Mass | 252.0092 |
|---|
| SMILES | O=C(OS(=O)(=O)O)c1cccc2ccccc12 |
|---|
| InChI Key | PSCDBUMVFJQAKM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenecarboxylic acids and derivatives |
|---|
| Direct Parent | naphthalenecarboxylic acids |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compound1-naphthalenecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativesulfuric acid esterorganooxygen compound |
|---|
