Dataset
![molecular Image]()
Fluindione
Chemical Info
| InChI | InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H |
|---|---|
| SMILES | Fc(c3)ccc(c3)C(C(=O)1)C(=O)c(c2)c(ccc2)1 |
| InChI Key | NASXCEITKQITLD-UHFFFAOYSA-N |
| Molecular Formula | C15H9FO2 |
| Exact Mass | 240.059 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-WA002598 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:47:30.937993 |
| MetadataModified | 2024-01-11T22:47:31.111856 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL24924 | ChEMBL |
| J7.190K | Nikkaji |
| HMDB0252334 | Human Metabolome Database |
| FLUINDIONE | clinicaltrials |
| FLUINDIONE | rxnorm |
| 50280156 | BindingDB |
| MCULE-2453930796 | Mcule |
| DTXSID1046211 | EPA CompTox Dashboard |
| 134975 | ChEBI |
| 1194 | DrugCentral |
| 15342167 | PubChem: Thomson Pharma |
| 957-56-2 | ACToR |
| EQ35YMS20Q | FDA SRS |
| PD014103 | ProbesDrugs |
| 68942 | PubChem |
| SCHEMBL309362 | SureChEMBL |
| ZINC000100091724 | ZINC |
| CB6930532 | ChemicalBook |
| DB13136 | DrugBank |
| 5779356 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |