| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:43 UTC |
|---|
| Update Date | 2025-03-21 17:59:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00021396 |
|---|
| Frequency | 187.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O7S |
|---|
| Molecular Mass | 247.9991 |
|---|
| SMILES | COc1ccc(OS(=O)(=O)O)c(C(=O)O)c1 |
|---|
| InChI Key | USGMFIFZEBFKML-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | phenol ethersulfuric acid monoesterethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxidearylsulfate1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
