Dataset
![molecular Image]()
Toloxatone
Chemical Info
| InChI | InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3 |
|---|---|
| SMILES | OCC(O2)CN(C(=O)2)c(c1)cc(C)cc1 |
| InChI Key | MXUNKHLAEDCYJL-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.090 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-WA000461 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:50:29.932931 |
| MetadataModified | 2024-01-11T22:50:30.111316 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 6843496 | eMolecules |
| CHEMBL18116 | ChEMBL |
| PD008985 | ProbesDrugs |
| 29218-27-7 | ACToR |
| 34521 | PubChem |
| 14773219 | PubChem: Thomson Pharma |
| SCHEMBL49437 | SureChEMBL |
| DTXSID40865478 | EPA CompTox Dashboard |
| CB8752750 | ChemicalBook |
| 41164 | Brenda |
| 12013317 | PubChem: Drugs of the Future |
| 156575 | ChEBI |
| DB09245 | DrugBank |
| 5T206015T5 | FDA SRS |
| HY-14196 | MedChemExpress |
| 2702 | DrugCentral |
| TOLOXATONE | rxnorm |
| J21.701H | Nikkaji |
| MolPort-006-125-773 | MolPort |
| 50110725 | BindingDB |
| The data in this table is sourced from UniChem at EBI. | |