EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C40H64O12 |
| Net Charge | 0 |
| Average Mass | 736.940 |
| Monoisotopic Mass | 736.43978 |
| SMILES | [H][C@@]12CC[C@@]([H])(O1)[C@@H](C)C(=O)O[C@H](C)C[C@@]1([H])CC[C@]([H])(O1)[C@H](C)C(=O)O[C@@H](C)C[C@]1([H])CC[C@@]([H])(O1)[C@@H](C)C(=O)O[C@H](C)C[C@@]1([H])CC[C@]([H])(O1)[C@H](C)C(=O)O[C@@H](C)C2 |
| InChI | InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36- |
| InChIKey | RMIXHJPMNBXMBU-QIIXEHPYSA-N |
| Wikipedia |
|---|
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Nonactin (CHEBI:7614) is a macrotetrolide (CHEBI:145561) |
| Synonym | Source |
|---|---|
| Nonactin | KEGG COMPOUND |