EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H34N2O4 |
| Net Charge | 0 |
| Average Mass | 450.579 |
| Monoisotopic Mass | 450.25186 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)C1CC1 |
| InChI | InChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19-,25-/m0/s1 |
| InChIKey | GOHLAUSVLSRLLT-MHPIHPPYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-10423 (CHEBI:99044) is a benzenoid aromatic compound (CHEBI:33836) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10423 | LINCS |