EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H26N4O3 |
| Net Charge | 0 |
| Average Mass | 466.541 |
| Monoisotopic Mass | 466.20049 |
| SMILES | CN[C@@H]1C[C@@]2(C)O[C@@H]([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
| InChI | InChI=1S/C28H26N4O3/c1-28-12-17(29-2)25(34-3)27(35-28)31-18-10-6-4-8-14(18)20-16-13-30-26(33)22(16)21-15-9-5-7-11-19(15)32(28)24(21)23(20)31/h4-11,17,25,27,29H,12-13H2,1-3H3,(H,30,33)/t17-,25-,27+,28-/m1/s1 |
| InChIKey | XTGJCWHCHWNXSE-WQGXBGQBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-5781 (CHEBI:94716) is a indolocarbazole (CHEBI:51915) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5781 | LINCS |