EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C34H36N4O4 |
| Net Charge | 0 |
| Average Mass | 564.686 |
| Monoisotopic Mass | 564.27366 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2ncc(C=Cc3ccccc3)cc2C1=O |
| InChI | InChI=1S/C34H36N4O4/c1-23-20-38(24(2)22-39)33(40)29-18-26(17-16-25-10-5-4-6-11-25)19-35-32(29)42-31(23)21-37(3)34(41)36-30-15-9-13-27-12-7-8-14-28(27)30/h4-19,23-24,31,39H,20-22H2,1-3H3,(H,36,41)/t23-,24+,31-/m0/s1 |
| InChIKey | KPTNOAWZVSDLGM-JLELKNTQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-21503 (CHEBI:110076) is a naphthalenes (CHEBI:25477) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21503 | LINCS |