EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C43H69NO12 |
| Net Charge | 0 |
| Average Mass | 792.020 |
| Monoisotopic Mass | 791.48198 |
| SMILES | CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC |
| InChI | InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1 |
| InChIKey | ZDQSOHOQTUFQEM-IXLPKJJWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-6025 (CHEBI:94818) is a lactam (CHEBI:24995) |
| LSM-6025 (CHEBI:94818) is a macrolide (CHEBI:25106) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6025 | LINCS |