EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H14O3S |
| Net Charge | 0 |
| Average Mass | 286.352 |
| Monoisotopic Mass | 286.06637 |
| SMILES | COc1cc(-c2cccs2)cc(=O)c2c(C)oc(C)c12 |
| InChI | InChI=1S/C16H14O3S/c1-9-15-12(17)7-11(14-5-4-6-20-14)8-13(18-3)16(15)10(2)19-9/h4-8H,1-3H3 |
| InChIKey | QDMVZWDWJDRLQK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone (CHEBI:108227) is a cycloheptafuran (CHEBI:39435) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19604 | LINCS |