EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H30O3 |
| Net Charge | 0 |
| Average Mass | 306.446 |
| Monoisotopic Mass | 306.21949 |
| SMILES | C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O |
| InChI | InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14+,15+,17-,18-,19-/m0/s1 |
| InChIKey | QSLJIVKCVHQPLV-FXZUXNBISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1S,3aR,3bR,5aS,9aS,9bR,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one (CHEBI:94611) is a steroid lactone (CHEBI:26766) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5544 | LINCS |