EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H16O5S |
| Net Charge | 0 |
| Average Mass | 392.432 |
| Monoisotopic Mass | 392.07184 |
| SMILES | Cc1cc(C)cc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1 |
| InChI | InChI=1S/C22H16O5S/c1-13-8-14(2)10-16(9-13)26-19-12-25-18-11-15(5-6-17(18)21(19)23)27-22(24)20-4-3-7-28-20/h3-12H,1-2H3 |
| InChIKey | BBHGOGWYKOOQFU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-thiophenecarboxylic acid [3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester (CHEBI:109817) is a chromones (CHEBI:23238) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21245 | LINCS |