| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:07 UTC |
|---|
| Update Date | 2025-03-21 18:36:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00110636 |
|---|
| Frequency | 24.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11NO4S |
|---|
| Molecular Mass | 253.0409 |
|---|
| SMILES | O=S(=O)(O)c1ccc(NCc2ccco2)cc1 |
|---|
| InChI Key | YLLHOERUVRYCKE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonic acids and derivatives |
|---|
| Direct Parent | benzenesulfonic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundsfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminessulfonyls |
|---|
| Substituents | furanorganosulfonic acid or derivativesaromatic heteromonocyclic compoundorganosulfonic acidbenzenesulfonateorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
