EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H30N2O7 |
| Net Charge | 0 |
| Average Mass | 374.434 |
| Monoisotopic Mass | 374.20530 |
| SMILES | [H][C@@]12O[C@H](CCCC)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2 |
| InChI | InChI=1S/C17H30N2O7/c1-4-5-6-8-7-9(20)17(23)16(24-8)25-15-13(22)10(18-2)12(21)11(19-3)14(15)26-17/h8,10-16,18-19,21-23H,4-7H2,1-3H3/t8-,10-,11+,12+,13+,14-,15-,16+,17+/m1/s1 |
| InChIKey | KHAUBYTYGDOYRU-IRXASZMISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trospectomycin (CHEBI:135577) is a dioxanes (CHEBI:46926) |
| Manual Xrefs | Databases |
|---|---|
| 3846 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:88669-04-9 | DrugCentral |