EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C33H40N2O5 |
| Net Charge | 0 |
| Average Mass | 544.692 |
| Monoisotopic Mass | 544.29372 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccc3c2OCCCO3)OCc2ccccc2-c2ccccc2C1=O |
| InChI | InChI=1S/C33H40N2O5/c1-23-18-35(24(2)21-36)33(37)29-14-7-6-13-28(29)27-12-5-4-10-26(27)22-40-31(23)20-34(3)19-25-11-8-15-30-32(25)39-17-9-16-38-30/h4-8,10-15,23-24,31,36H,9,16-22H2,1-3H3/t23-,24+,31-/m0/s1 |
| InChIKey | MEBNTFIGGVDNJI-JLELKNTQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-11216 (CHEBI:99837) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11216 | LINCS |