| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:01 UTC |
|---|
| Update Date | 2025-03-25 00:53:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02199003 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N2O5S |
|---|
| Molecular Mass | 298.0623 |
|---|
| SMILES | CN(CC(O)C(=O)O)S(=O)(=O)c1ccc2[nH]ccc2c1 |
|---|
| InChI Key | LGONQFSKBUBYNN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indoles |
|---|
| Direct Parent | indoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesaminosulfonyl compoundsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespyrrolessecondary alcohols |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidindolealpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleaminosulfonyl compoundheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
