EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H30O9 |
| Net Charge | 0 |
| Average Mass | 474.506 |
| Monoisotopic Mass | 474.18898 |
| SMILES | C=C1C(=O)O[C@H]2C1[C@H](OC(=O)C(=CCO)COC(=O)C(C)=CCO)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@@H]12 |
| InChI | InChI=1S/C25H30O9/c1-12(5-7-26)23(29)32-11-16(6-8-27)25(31)33-19-9-13(2)17-10-18(28)14(3)20(17)22-21(19)15(4)24(30)34-22/h5-6,14,17,19-22,26-27H,2,4,7-11H2,1,3H3/t14-,17+,19-,20+,21?,22-/m1/s1 |
| InChIKey | VUJFFBGJRUFEKJ-YVBAHESWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-4922 (CHEBI:94293) is a sesquiterpene lactone (CHEBI:37667) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4922 | LINCS |