| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:10:05 UTC |
|---|
| Update Date | 2025-03-25 00:57:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02224647 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12N2O4S |
|---|
| Molecular Mass | 268.0518 |
|---|
| SMILES | NS(=O)(=O)c1ccc(N2C=C(C(=O)O)CC2)cc1 |
|---|
| InChI Key | FVAIUGDXYJZFON-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolines |
|---|
| Subclass | phenylpyrrolines |
|---|
| Direct Parent | phenylpyrrolines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | amino acidsaminobenzenesulfonamidesaminosulfonyl compoundsaniline and substituted anilinesazacyclic compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsenamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidespyrrolestertiary alkylarylaminesvinylogous amides |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupaminobenzenesulfonamidecarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundtertiary aminebenzenesulfonyl groupvinylogous amidebenzenesulfonamideazacycleaminosulfonyl compoundaniline or substituted anilinesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compound1-phenylpyrrolineamineorganooxygen compoundenamine |
|---|
