EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H34N4O3 |
| Net Charge | 0 |
| Average Mass | 498.627 |
| Monoisotopic Mass | 498.26309 |
| SMILES | CN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCC(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C30H34N4O3/c1-32-26-18-34-25(8-7-23(29(34)36)22-9-13-31-14-10-22)28(32)27(24(26)19-35)30(37)33-15-11-21(12-16-33)17-20-5-3-2-4-6-20/h2-10,13-14,21,24,26-28,35H,11-12,15-19H2,1H3/t24-,26-,27+,28+/m0/s1 |
| InChIKey | QUSLSSXBBMTUKA-GDWZEYGFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-11715 (CHEBI:100340) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11715 | LINCS |