| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:54 UTC |
|---|
| Update Date | 2025-03-25 00:47:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02159962 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H11NO6S |
|---|
| Molecular Mass | 321.0307 |
|---|
| SMILES | O=S(=O)(O)Oc1cc(O)cc2cc(-c3ccc(O)cc3)[nH]c12 |
|---|
| InChI Key | QAJZEQUNEKLMBP-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterazacycleindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidindole or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
|---|
