| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:32 UTC |
|---|
| Update Date | 2025-03-21 18:29:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00077866 |
|---|
| Frequency | 37.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H16N2O4S |
|---|
| Molecular Mass | 356.0831 |
|---|
| SMILES | CC(=O)Nc1ccc(Nc2cccc3cccc(S(=O)(=O)O)c23)cc1 |
|---|
| InChI Key | GAANYLKDAMZBOM-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 compoundsacetamidesacetanilidesamino acids and derivativesarylsulfonic acids and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary aminessecondary carboxylic acid amidessulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupn-acetylarylamineamino acid or derivativesorganosulfonic acidn-arylamideorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundacetamide1-sulfo,2-unsubstituted aromatic compoundacetanilidearomatic homopolycyclic compoundsecondary aminecarboxamide groupanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
