| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:25 UTC |
|---|
| Update Date | 2025-03-25 00:50:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179461 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9O9PS |
|---|
| Molecular Mass | 299.9705 |
|---|
| SMILES | COc1cccc(OS(=O)(=O)O)c1OP(=O)(O)O |
|---|
| InChI Key | QVSDEOFOTLXNCL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic phosphoric acids and derivatives |
|---|
| Subclass | phosphate esters |
|---|
| Direct Parent | phenyl phosphates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etherphenylsulfateorganic oxidearylsulfateorganic sulfuric acid or derivativesphenyl phosphatemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
