| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:40:19 UTC |
|---|
| Update Date | 2025-03-21 17:58:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00016098 |
|---|
| Frequency | 267.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O7S |
|---|
| Molecular Mass | 262.0147 |
|---|
| SMILES | COc1cc(C(=O)O)ccc1OS(=O)(=O)OC |
|---|
| InChI Key | CWHCETXURPBGQI-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 | alkyl aryl ethersalkyl sulfatesanisolesarylsulfatesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid diesters |
|---|
| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxidesulfuric acid diesteralkyl sulfatearylsulfatebenzoic acidm-methoxybenzoic acid or derivativesorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
