EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H37N3O3 |
| Net Charge | 0 |
| Average Mass | 487.644 |
| Monoisotopic Mass | 487.28349 |
| SMILES | CCCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCc3ccccc3C1)[C@@H]2CO |
| InChI | InChI=1S/C30H37N3O3/c1-2-15-32-26-18-33-25(13-12-23(29(33)35)21-9-4-3-5-10-21)28(32)27(24(26)19-34)30(36)31-16-14-20-8-6-7-11-22(20)17-31/h6-9,11-13,24,26-28,34H,2-5,10,14-19H2,1H3/t24-,26-,27+,28+/m1/s1 |
| InChIKey | KTCZPISMGPPISS-OIIADRAWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14174 (CHEBI:102828) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14174 | LINCS |