| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:27 UTC |
|---|
| Update Date | 2025-03-25 00:55:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02213960 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H14N2O4S |
|---|
| Molecular Mass | 258.0674 |
|---|
| SMILES | CCN(CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] |
|---|
| InChI Key | TVZZRXKFWHHNMB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonamides |
|---|
| Direct Parent | benzenesulfonamides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aminosulfonyl compoundsbenzenesulfonyl compoundshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | organosulfonic acid or derivativesallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganosulfonic acid amideorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenebenzenesulfonyl groupnitroaromatic compoundbenzenesulfonamideaminosulfonyl compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic hyponitrite |
|---|
