EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H25NO7S |
| Net Charge | 0 |
| Average Mass | 519.575 |
| Monoisotopic Mass | 519.13517 |
| SMILES | COC(=O)/C(=C/c1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1 |
| InChI | InChI=1S/C28H25NO7S/c1-33-22-12-18(13-23(16-22)34-2)14-24(27(31)35-3)19-6-10-21(11-7-19)36-20-8-4-17(5-9-20)15-25-26(30)29-28(32)37-25/h4-14,16,25H,15H2,1-3H3,(H,29,30,32)/b24-14+ |
| InChIKey | IVAQJHSXBVHUQT-ZVHZXABRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| clx-0921 (CHEBI:759118) is a stilbenoid (CHEBI:26776) |
| Synonyms | Source |
|---|---|
| Clx-0921 | ChEMBL |
| THR-0921 | ChEMBL |