Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:17:15 UTC |
---|
Update Date | 2025-03-21 18:35:02 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00103626 |
---|
Frequency | 26.2 |
---|
Structure | |
---|
Chemical Formula | C12H10Cl2N2O5S |
---|
Molecular Mass | 363.9687 |
---|
SMILES | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)c(Cl)c1Cl |
---|
InChI Key | YHBQURCRNFDIDM-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | benzenoids |
---|
Class | benzene and substituted derivatives |
---|
Subclass | benzoic acids and derivatives |
---|
Direct Parent | dichlorobenzoic acids |
---|
Geometric Descriptor | aromatic heteromonocyclic compounds |
---|
Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acids4-halobenzoic acidsamino acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativesdichlorobenzenesfuranshalobenzoic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenylalkylaminessecondary alkylarylaminesvinylogous amides |
---|
Substituents | carboxylic acidamino acid or derivatives3-halobenzoic acid or derivativesorganochloridebenzoyl3-halobenzoic acidorganonitrogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzenevinylogous amidehalobenzoic acidbenzenesulfonamide4-halobenzoic acidheteroaromatic compoundsecondary aliphatic/aromatic aminearyl halide4-halobenzoic acid or derivativeshydrocarbon derivativehalobenzene3,4-dichlorobenzoic acidaminefuranorganosulfonic acid or derivativesaromatic heteromonocyclic compoundamino acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganopnictogen compound1,2-dichlorobenzeneaminosulfonyl compoundhalobenzoic acid or derivativessecondary amineoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylamineorganic nitrogen compoundorganooxygen compound |
---|