EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C39H61NO10 |
| Net Charge | 0 |
| Average Mass | 703.914 |
| Monoisotopic Mass | 703.42955 |
| SMILES | [H][C@@]12C=C3C(=O)[C@H](C)[C@@H](O[C@H]4CC[C@H](N(C)C)[C@@H](C)O4)CCC[C@H](CC)OC(=O)C[C@@]3([H])[C@]1([H])C=C[C@]1([H])C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3OC)C[C@@]21[H] |
| InChI | InChI=1S/C39H61NO10/c1-8-24-10-9-11-32(50-34-15-14-31(40(5)6)21(3)46-34)20(2)35(42)30-18-28-26(29(30)19-33(41)48-24)13-12-23-16-25(17-27(23)28)49-39-38(45-7)37(44)36(43)22(4)47-39/h12-13,18,20-29,31-32,34,36-39,43-44H,8-11,14-17,19H2,1-7H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29+,31+,32+,34+,36+,37-,38-,39+/m1/s1 |
| InChIKey | GWXUECNDJTYZFN-PNXRJMMDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Spinosyn P (CHEBI:80041) is a macrolide (CHEBI:25106) |
| Manual Xrefs | Databases |
|---|---|
| C15709 | KEGG COMPOUND |