| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:12 UTC |
|---|
| Update Date | 2025-03-21 18:40:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00129932 |
|---|
| Frequency | 28.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H18N2O6S |
|---|
| Molecular Mass | 390.0886 |
|---|
| SMILES | O=C1NC(Cc2cccc(OS(=O)(=O)O)c2)C(=O)NC1Cc1ccccc1 |
|---|
| InChI Key | OXNCHGNRXOJWNH-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 heteromonocyclic compounds |
|---|
| Alternative Parents | 2,5-dioxopiperazinesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouplactamaromatic heteromonocyclic compoundalpha-amino acid or derivatives2,5-dioxopiperazinecarboxylic acid derivativephenylsulfateorganic oxidedioxopiperazinepiperazineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
