Dataset
![molecular Image]()
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H |
|---|---|
| SMILES | Oc1ccccc1c1nc2c(s1)cccc2 |
| InChI Key | MVVGSPCXHRFDDR-UHFFFAOYSA-N |
| Molecular Formula | C13H9NOS |
| Exact Mass | 227.282 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/MVVGSPCXHRFDDR-UHFFFAOYSA-N/CHMO0000470 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/MVVGSPCXHRFDDR-UHFFFAOYSA-N/CHMO0000470 |
| Version | |
| Author | Jérôme Wagner |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T02:29:07.444168 |
| MetadataModified | 2024-09-07T17:02:32.948428 |
| MetadataPublished | 2020-02-28 |
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 40UQ1I362I | FDA SRS |
| CB0218294 | ChemicalBook |
| MCULE-3223177941 | Mcule |
| 20146170 | NMRShiftDB |
| 180629 | ChEBI |
| SCHEMBL196475 | SureChEMBL |
| 3411-95-8 | ACToR |
| 525263 | eMolecules |
| 18874 | PubChem |
| 14868110 | PubChem: Thomson Pharma |
| DTXSID6063018 | EPA CompTox Dashboard |
| 50484063 | BindingDB |
| HPBTAZ | CCDC |
| J124.110I | Nikkaji |
| ZINC000000235985 | ZINC |
| CHEMBL1650632 | ChEMBL |
| The data in this table is sourced from UniChem at EBI. | |