EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H30O4 |
| Net Charge | 0 |
| Average Mass | 358.478 |
| Monoisotopic Mass | 358.21441 |
| SMILES | [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@]1(C)[C@@H](OC(=O)CC)CC[C@@]21[H] |
| InChI | InChI=1S/C22H30O4/c1-4-19(25)26-18-8-7-16-15-6-5-13-11-14(23)9-10-21(13,2)20(15)17(24)12-22(16,18)3/h11,15-16,18,20H,4-10,12H2,1-3H3/t15-,16-,18-,20+,21-,22-/m0/s1 |
| InChIKey | HHOPZZNLTLSBAF-LBYDKSIMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17beta-Hydroxyandrost-4-ene-3,11-dione propionate (CHEBI:79532) is a steroid ester (CHEBI:47880) |
| Manual Xrefs | Databases |
|---|---|
| C15009 | KEGG COMPOUND |