Dataset
![molecular Image]()
Azoxystrobin
Chemical Info
| InChI | InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+ |
|---|---|
| SMILES | CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC |
| InChI Key | WFDXOXNFNRHQEC-GHRIWEEISA-N |
| Molecular Formula | C22H17N3O5 |
| Exact Mass | 403.117 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-UFZ-UF402203 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:51:36.235639 |
| MetadataModified | 2025-02-09T19:48:28.093594 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 50487147 | BindingDB |
| HY-B0849 | MedChemExpress |
| WINTIX | CCDC |
| DTXSID0032520 | EPA CompTox Dashboard |
| J588.357A | Nikkaji |
| DB07401 | DrugBank |
| CHEMBL230001 | ChEMBL |
| AZO | PDBe |
| C18558 | KEGG Ligand |
| 3034285 | PubChem |
| PD005287 | ProbesDrugs |
| 15966336 | PubChem: Thomson Pharma |
| NYH7Y08IPM | FDA SRS |
| 131860-33-8 | ACToR |
| 40909 | ChEBI |
| 510994 | eMolecules |
| ZINC000013827839 | ZINC |
| CB2189631 | ChemicalBook |
| 25430 | Brenda |
| SCHEMBL18823 | SureChEMBL |
| The data in this table is sourced from UniChem at EBI. | |