EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H42O11 |
| Net Charge | 0 |
| Average Mass | 518.600 |
| Monoisotopic Mass | 518.27271 |
| SMILES | CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O |
| InChI | InChI=1S/C25H42O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h8,12-13,15-24,27-32H,6-7,9-10H2,1-5H3 |
| InChIKey | XTPQCRPHXZBRMP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Blumenol C O-[rhamnosyl-(1→6)-glucoside] (CHEBI:138796) is a O-acyl carbohydrate (CHEBI:52782) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031935 | HMDB |