EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H32O6 |
| Net Charge | 0 |
| Average Mass | 368.470 |
| Monoisotopic Mass | 368.21989 |
| SMILES | [H][C@]12[C@H]3OC4(O)CC(C)([C@]5([H])C[C@@H](C(C)CO)[C@@]4(C)[C@]35O)[C@@]1(O)CC[C@]2(C)O |
| InChI | InChI=1S/C20H32O6/c1-10(8-21)11-7-12-15(2)9-19(24)17(11,4)20(12,25)14(26-19)13-16(3,22)5-6-18(13,15)23/h10-14,21-25H,5-9H2,1-4H3/t10?,11-,12-,13+,14+,15+,16-,17+,18+,19?,20+/m0/s1 |
| InChIKey | SHKTYUCWKCFSRV-VLTGTMBASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cinncassiol D2 (CHEBI:81248) is a sesquiterpenoid (CHEBI:26658) |
| Manual Xrefs | Databases |
|---|---|
| C17653 | KEGG COMPOUND |