| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:23 UTC |
|---|
| Update Date | 2025-03-21 17:59:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00022890 |
|---|
| Frequency | 172.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O8S |
|---|
| Molecular Mass | 278.0096 |
|---|
| SMILES | COc1cc(C(=O)O)ccc1OCOS(=O)(=O)O |
|---|
| InChI Key | UMYQRRKVSZGPBV-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 sulfatesanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | phenol ethersulfuric acid monoesterethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxidealkyl sulfatebenzoic acidm-methoxybenzoic acid or derivativesorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
