Dataset
![molecular Image]()
Florasulam
Chemical Info
| InChI | InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3 |
|---|---|
| SMILES | COC(=N3)n(n1)c(C(F)=C3)nc1S(=O)(=O)Nc(c(F)2)c(F)ccc2 |
| InChI Key | QZXATCCPQKOEIH-UHFFFAOYSA-N |
| Molecular Formula | C12H8F3N5O3S |
| Exact Mass | 359.030 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000253 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:35:54.689205 |
| MetadataModified | 2025-02-09T20:25:09.928083 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 30513377 | eMolecules |
| 16941104 | PubChem: Thomson Pharma |
| 11700495 | PubChem |
| 145701-23-1 | ACToR |
| 00A64ZX8NB | FDA SRS |
| PD121958 | ProbesDrugs |
| SCHEMBL116614 | SureChEMBL |
| MCULE-3451149266 | Mcule |
| CB4247603 | ChemicalBook |
| ZINC000038276325 | ZINC |
| 206229 | Brenda |
| C18850 | KEGG Ligand |
| DB15316 | DrugBank |
| HMDB0252312 | Human Metabolome Database |
| CHEMBL3185236 | ChEMBL |
| J1.388.962G | Nikkaji |
| XANPUB | CCDC |
| 82009 | ChEBI |
| DTXSID7044340 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |