EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H28O3 |
| Net Charge | 0 |
| Average Mass | 292.419 |
| Monoisotopic Mass | 292.20384 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O)CC[C@@]34[H])[C@@]1(C)COC(=O)C2 |
| InChI | InChI=1S/C18H28O3/c1-17-8-7-14-12(13(17)5-6-15(17)19)4-3-11-9-16(20)21-10-18(11,14)2/h11-15,19H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17-,18-/m0/s1 |
| InChIKey | KMTXKMXDKGLFCK-DJUKHWRNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17beta-Hydroxy-2-oxa-5alpha-androstan-3-one (CHEBI:79436) is a steroid lactone (CHEBI:26766) |
| Manual Xrefs | Databases |
|---|---|
| C14911 | KEGG COMPOUND |