EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H10O8.C9H19N.C9H19N |
| Net Charge | 0 |
| Average Mass | 492.654 |
| Monoisotopic Mass | 492.34107 |
| SMILES | CN[C@H](C)CCC=C(C)C.CN[C@H](C)CCC=C(C)C.O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O |
| InChI | InChI=1S/2C9H19N.C6H10O8/c2*1-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*6,9-10H,5,7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14)/t2*9-;1-,2-,3-,4+/m111/s1 |
| InChIKey | WSXKZIDINJKWPM-PPPDGRNVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dexisometheptene mucate (CHEBI:755831) is a carbohydrate acid derivative (CHEBI:63436) |
| Synonyms | Source |
|---|---|
| Dexisometheptene mucate | ChEMBL |
| TNX-201 | ChEMBL |