| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:12 UTC |
|---|
| Update Date | 2025-03-21 18:36:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108390 |
|---|
| Frequency | 24.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H11NO4S |
|---|
| Molecular Mass | 265.0409 |
|---|
| SMILES | O=C(O)CNS(=O)(=O)c1cccc2ccccc12 |
|---|
| InChI Key | XRQQHZFWAKIKQH-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 sulfonamidesalpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivativesorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaminosulfonyl compoundaromatic homopolycyclic compoundnaphthalene sulfonamidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compound1-naphthalene sulfonamideorganooxygen compound |
|---|
