EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18Cl2N4O5 |
| Net Charge | 0 |
| Average Mass | 441.271 |
| Monoisotopic Mass | 440.06543 |
| SMILES | CO/N=c1/ncnc2c1ccn2[C@@H]1O[C@H](C(O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C18H18Cl2N4O5/c1-28-23-16-9-4-5-24(17(9)22-7-21-16)18-14(27)13(26)15(29-18)12(25)8-2-3-10(19)11(20)6-8/h2-7,12-15,18,25-27H,1H3,(H,21,22,23)/t12?,13-,14+,15+,18+/m0/s1 |
| InChIKey | KQQVFXIBOQCHBA-JJSXZHHUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PRT382 (CHEBI:231664) is a organic molecular entity (CHEBI:50860) |