| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:00 UTC |
|---|
| Update Date | 2025-03-25 00:50:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180786 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H13NO4S |
|---|
| Molecular Mass | 279.0565 |
|---|
| SMILES | COc1cc(S(=O)(=O)O)ccc1Nc1ccccc1 |
|---|
| InChI Key | CKYHRZZPQPPRRJ-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 homomonocyclic compounds |
|---|
| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersanisolesarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsorganosulfonic acidsphenoxy compoundssecondary aminessulfonyls |
|---|
| Substituents | phenol etherorganosulfonic acid or derivativesetherorganosulfonic acidbenzenesulfonatealkyl aryl etherorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundsecondary aminemethoxybenzenearomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
|---|
