Dataset
![molecular Image]()
Triadimenol
Chemical Info
| InChI | InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3 |
|---|---|
| SMILES | CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 |
| InChI Key | BAZVSMNPJJMILC-UHFFFAOYSA-N |
| Molecular Formula | C14H18ClN3O2 |
| Exact Mass | 295.109 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU258204 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T10:04:21.342321 |
| MetadataModified | 2025-02-08T19:08:51.541799 |
| MetadataPublished | 2019-05-29 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MTBLC9666 | Metabolights |
| 14800260 | PubChem: Thomson Pharma |
| 41368 | PubChem |
| PD078862 | ProbesDrugs |
| 55219-65-3 | ACToR |
| LSM-27940 | LINCS |
| SCHEMBL21795 | SureChEMBL |
| 80004525 | NMRShiftDB |
| 510293 | eMolecules |
| CHEMBL520275 | ChEMBL |
| C11127 | KEGG Ligand |
| 50486175 | BindingDB |
| HY-B0851 | MedChemExpress |
| NFR7MRD9NM | FDA SRS |
| 9666 | ChEBI |
| J11.445F | Nikkaji |
| HMDB0259143 | Human Metabolome Database |
| DTXSID0032493 | EPA CompTox Dashboard |
| CB3495832 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |