| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:24 UTC |
|---|
| Update Date | 2025-03-25 00:56:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220817 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H11NO5S |
|---|
| Molecular Mass | 281.0358 |
|---|
| SMILES | O=C(O)CN(O)S(=O)(=O)c1ccc2ccccc2c1 |
|---|
| InChI Key | GGHXXACAXVFROO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalene sulfonic acids and derivatives |
|---|
| Direct Parent | 2-naphthalene sulfonamides |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | 2-naphthalene sulfonic acids and derivativesalpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-organohydroxylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acids and derivatives |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivative2-naphthalene sulfonamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaminosulfonyl compoundaromatic homopolycyclic compoundn-organohydroxylamine2-naphthalene sulfonic acid or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
