| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:47 UTC |
|---|
| Update Date | 2025-03-21 18:05:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00056909 |
|---|
| Frequency | 55.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H12ClNO3S |
|---|
| Molecular Mass | 333.0226 |
|---|
| SMILES | O=S(=O)(O)c1cccc2cccc(Nc3ccc(Cl)cc3)c12 |
|---|
| InChI Key | OAMDGZUFHLTUKV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalene sulfonic acids and derivatives |
|---|
| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | 1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativeschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonic acidssecondary aminessulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganochlorideorganosulfonic acidorganosulfur compoundorganohalogen compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzene1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundsecondary aminearyl halidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamine |
|---|
