| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:07 UTC |
|---|
| Update Date | 2025-03-21 18:35:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108214 |
|---|
| Frequency | 24.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O7S |
|---|
| Molecular Mass | 300.0304 |
|---|
| SMILES | COc1cc(C=CC=CC(=O)O)ccc1OS(=O)(=O)O |
|---|
| InChI Key | YXJGJZVOBANDCC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | sulfated fatty acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoestersunsaturated fatty acids |
|---|
| Substituents | carbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidphenylsulfateunsaturated fatty acidorganic oxidemedium-chain fatty acidarylsulfateorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidanisolesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
