| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:05 UTC |
|---|
| Update Date | 2025-03-25 00:47:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02160372 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N2O3S |
|---|
| Molecular Mass | 266.0725 |
|---|
| SMILES | NS(=O)(=O)c1cccc2cccc(NCCO)c12 |
|---|
| InChI Key | WFAXRYCRQKDEET-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 sulfonamidesalcohols and polyolsalkanolaminesaminosulfonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary alkylarylamines |
|---|
| Substituents | organosulfonic acid or derivativesorganosulfur compound1-naphthalene sulfonic acid or derivativesorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundalkanolaminealcoholaminosulfonyl compoundaromatic homopolycyclic compoundnaphthalene sulfonamidesecondary aminesecondary aliphatic/aromatic aminesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compound1-naphthalene sulfonamideamineorganooxygen compound |
|---|
