Dataset
Prosulfuron
Chemical Info
InChI | InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24) |
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SMILES | COC1=NC(C)=NC(NC(=O)NS(=O)(=O)C2=C(CCC(F)(F)F)C=CC=C2)=N1 |
InChI Key | LTUNNEGNEKBSEH-UHFFFAOYSA-N |
Molecular Formula | C15H16F3N5O4S |
Exact Mass | 419.088 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00349204 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2025-02-09T09:27:20.232142 |
MetadataModified | 2025-02-09T09:27:20.408013 |
MetadataPublished | 2024-06-14 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
16835213 | PubChem: Thomson Pharma |
94125-34-5 | ACToR |
NG7LE47J14 | FDA SRS |
510891 | eMolecules |
206234 | Brenda |
ZINC000000900594 | ZINC |
SCHEMBL56036 | SureChEMBL |
CHEMBL2251587 | ChEMBL |
QUTKAU | CCDC |
J653.647F | Nikkaji |
DTXSID9034868 | EPA CompTox Dashboard |
8523 | ChEBI |
CB9186639 | ChemicalBook |
91751 | PubChem |
C10950 | KEGG Ligand |
The data in this table is sourced from UniChem at EBI. |