EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:751655 - itrocinonide
| Formula | C29H38F2O9 |
| Net Charge | 0 |
| Average Mass | 568.610 |
| Monoisotopic Mass | 568.24839 |
| SMILES | [H][C@@]12C[C@@]3([H])O[C@@H](CCC)O[C@@]3(C(=O)O[C@H](C)OC(=O)OCC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@@]21C |
| InChI | InChI=1S/C29H38F2O9/c1-6-8-23-39-22-13-17-18-12-20(30)19-11-16(32)9-10-26(19,4)28(18,31)21(33)14-27(17,5)29(22,40-23)24(34)37-15(3)38-25(35)36-7-2/h9-11,15,17-18,20-23,33H,6-8,12-14H2,1-5H3/t15-,17-,18-,20-,21-,22+,23+,26-,27-,28-,29-/m0/s1 |
| InChIKey | GCELVROFGZYBHY-JUVXQCODSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| itrocinonide (CHEBI:751655) is a 11-hydroxy steroid (CHEBI:36841) |
| INNs | Source |
|---|---|
| itrocinonida | WHO MedNet |
| itrocinonide | WHO MedNet |