| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:40:40 UTC |
|---|
| Update Date | 2025-03-21 17:58:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00016814 |
|---|
| Frequency | 253.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12ClNO5S |
|---|
| Molecular Mass | 329.0125 |
|---|
| SMILES | CS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl |
|---|
| InChI Key | ULNOABMSWRZPIO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | halobenzoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-halobenzoic acidsamino acidsaryl chloridesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzenesfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminessulfonesvinylogous amides |
|---|
| Substituents | furancarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzenevinylogous amidehalobenzoic acid4-halobenzoic acidheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halide4-halobenzoic acid or derivativesoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compoundsulfone |
|---|
