| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:37 UTC |
|---|
| Update Date | 2025-03-21 18:28:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00070817 |
|---|
| Frequency | 42.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H11NO5S |
|---|
| Molecular Mass | 281.0358 |
|---|
| SMILES | O=C(O)CNc1cccc2cccc(S(=O)(=O)O)c12 |
|---|
| InChI Key | OKYHKVSZJIWEQO-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 compoundsalpha amino acidsamino acidsarylsulfonic acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary alkylarylaminessulfonyls |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganosulfonic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
