| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:10 UTC |
|---|
| Update Date | 2025-03-25 00:56:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220272 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H14N2O4S |
|---|
| Molecular Mass | 258.0674 |
|---|
| SMILES | CS(=O)(=O)NCCC(=O)c1cc(O)ccc1N |
|---|
| InChI Key | LNLIOEBMDOTYOH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl compoundsaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganic sulfonamidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesprimary aminesvinylogous amides |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amideaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundorganic sulfonic acid amideaminealkyl-phenylketone |
|---|
