Dataset
![molecular Image]()
Bisphenol S
Chemical Info
| InChI | InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H |
|---|---|
| SMILES | OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 |
| InChI Key | VPWNQTHUCYMVMZ-UHFFFAOYSA-N |
| Molecular Formula | C12H10O4S |
| Exact Mass | 250.030 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-UF424052 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:52:12.388215 |
| MetadataModified | 2025-02-09T19:49:38.848943 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 6626 | PubChem |
| 3OX4RR782R | FDA SRS |
| 14868482 | PubChem: Thomson Pharma |
| 80-09-1 | ACToR |
| 280144-23-2 | ACToR |
| 477783 | eMolecules |
| CB4306294 | ChemicalBook |
| MTBLC34372 | Metabolights |
| 20096921 | NMRShiftDB |
| MCULE-1599233293 | Mcule |
| SCHEMBL18838 | SureChEMBL |
| HMDB0240712 | Human Metabolome Database |
| TEKKUP | CCDC |
| J10.509K | Nikkaji |
| DTXSID3022409 | EPA CompTox Dashboard |
| ZINC000000056964 | ZINC |
| CB65422755 | ChemicalBook |
| 34372 | ChEBI |
| 6JD | PDBe |
| C14216 | KEGG Ligand |
| CHEMBL384441 | ChEMBL |
| The data in this table is sourced from UniChem at EBI. | |