| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:02 UTC |
|---|
| Update Date | 2025-03-25 01:01:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02249478 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO8S |
|---|
| Molecular Mass | 291.0049 |
|---|
| SMILES | COc1cc(CC(=O)[N+](=O)[O-])ccc1OS(=O)(=O)O |
|---|
| InChI Key | SLWULMTWZJMQLN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesc-nitro compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylacetamidespropargyl-type 1,3-dipolar organic compoundssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetherallyl-type 1,3-dipolar organic compoundalkyl aryl ethercarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundphenylsulfateorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumphenylacetamideorganic 1,3-dipolar compoundmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundorganic hyponitrite |
|---|
