EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H40N4O4 |
| Net Charge | 0 |
| Average Mass | 520.674 |
| Monoisotopic Mass | 520.30496 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(C=Cc3ccccc3)cnc2O[C@@H]1CN(C)C(=O)NC1CCCCC1 |
| InChI | InChI=1S/C30H40N4O4/c1-21-18-34(22(2)20-35)29(36)26-16-24(15-14-23-10-6-4-7-11-23)17-31-28(26)38-27(21)19-33(3)30(37)32-25-12-8-5-9-13-25/h4,6-7,10-11,14-17,21-22,25,27,35H,5,8-9,12-13,18-20H2,1-3H3,(H,32,37)/t21-,22+,27-/m1/s1 |
| InChIKey | HITOKJYCRKZWGL-UMTXDNHDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-25308 (CHEBI:113876) is a styrenes (CHEBI:26799) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25308 | LINCS |