EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H19NO3S |
| Net Charge | 0 |
| Average Mass | 413.498 |
| Monoisotopic Mass | 413.10856 |
| SMILES | O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12 |
| InChI | InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2 |
| InChIKey | JAMULYFATHSZJM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-(4-dibenzothiophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one (CHEBI:91361) is a dibenzothiophenes (CHEBI:23684) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1061 | LINCS |