| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:27 UTC |
|---|
| Update Date | 2025-03-21 18:07:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00068025 |
|---|
| Frequency | 44.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11NO7S |
|---|
| Molecular Mass | 301.0256 |
|---|
| SMILES | O=C(O)C(O)Cc1c[nH]c2ccc(OS(=O)(=O)O)cc12 |
|---|
| InChI Key | VAUZZJZUODAJKY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | arylsulfates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidindolealpha-hydroxy acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativeshydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
