Dataset
![molecular Image]()
Zeranol
Chemical Info
| InChI | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1 |
|---|---|
| SMILES | C[C@H]1CCC[C@@H](CCCCCC2=CC(=CC(=C2C(=O)O1)O)O)O |
| InChI Key | DWTTZBARDOXEAM-GXTWGEPZSA-N |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000642 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:26:18.805775 |
| MetadataModified | 2024-01-11T09:26:18.989790 |
| MetadataPublished | 2017-07-07 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL450613 | ChEMBL |
| C14752 | KEGG Ligand |
| 596274 | eMolecules |
| DTXSID4022315 | EPA CompTox Dashboard |
| 2860 | DrugCentral |
| ZINC000003831615 | ZINC |
| 35064 | ChEBI |
| ZERANOL | rxnorm |
| RALGRO | rxnorm |
| HY-N6709 | MedChemExpress |
| 32073 | BindingDB |
| CB1232523 | ChemicalBook |
| DB11478 | DrugBank |
| 14801488 | PubChem: Thomson Pharma |
| 2999413 | PubChem |
| SCHEMBL109174 | SureChEMBL |
| 76LO2L2V39 | FDA SRS |
| PD013497 | ProbesDrugs |
| SECCEK | CCDC |
| 27J | PDBe |
| J10.434E | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |