EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C36H36Br3NO9 |
| Net Charge | 0 |
| Average Mass | 866.394 |
| Monoisotopic Mass | 862.99402 |
| SMILES | CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@@H]2OC(=O)[C@H](Cc3cccc(Br)c3)CC=CC[C@@H](Cc3cccc(Br)c3)C(=O)O[C@@H]12 |
| InChI | InChI=1S/C36H36Br3NO9/c1-45-35-32-31(30(29(20-41)46-35)49-36(44)40-28-14-12-25(37)13-15-28)47-33(42)23(16-21-6-4-10-26(38)18-21)8-2-3-9-24(34(43)48-32)17-22-7-5-11-27(39)19-22/h2-7,10-15,18-19,23-24,29-32,35,41H,8-9,16-17,20H2,1H3,(H,40,44)/t23-,24-,29+,30+,31-,32+,35-/m0/s1 |
| InChIKey | DHHTUYUQBBKHGB-BPKNMMLHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36656 (CHEBI:125190) is a lipopolysaccharide (CHEBI:16412) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36656 | LINCS |