EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H24O9 |
| Net Charge | 0 |
| Average Mass | 408.403 |
| Monoisotopic Mass | 408.14203 |
| SMILES | C[C@@H]1C(=O)O[C@H]2CC34[C@H]5C[C@@H](C(C)(C)C)C36[C@@H](OC(=O)[C@@H]6O)OC4(C(=O)O5)[C@]21O |
| InChI | InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17?,18?,19-,20?/m1/s1 |
| InChIKey | FPUXKXIZEIDQKW-ZJZLDMJOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-6414 (CHEBI:95143) is a diterpene lactone (CHEBI:49193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6414 | LINCS |