| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:47 UTC |
|---|
| Update Date | 2025-03-25 00:57:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02223983 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H13NO5S |
|---|
| Molecular Mass | 307.0514 |
|---|
| SMILES | NC(=O)Cc1ccc(Oc2ccc(S(=O)(=O)O)cc2)cc1 |
|---|
| InChI Key | LKWKJPOHIILCSB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylethers |
|---|
| Direct Parent | diphenylethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativesdiarylethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidsphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amidessulfonyls |
|---|
| Substituents | primary carboxylic acid amidediaryl etherphenol etherorganosulfonic acid or derivativescarbonyl groupetherorganosulfonic acidbenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidebenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundcarboxamide grouparomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
|---|
