EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H45O7 |
| Net Charge | -1 |
| Average Mass | 457.628 |
| Monoisotopic Mass | 457.31708 |
| SMILES | C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC(=O)CC(=O)[O-])[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C25H46O7/c1-20-22(27)19-23(28)25(32-20)31-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21(26)18-24(29)30/h20,22-23,25,27-28H,2-19H2,1H3,(H,29,30)/p-1/t20-,22+,23+,25+/m0/s1 |
| InChIKey | JXEOQVNRNLRIBS-LVVCFHABSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bkos#34(1-) (CHEBI:139949) is a organic molecular entity (CHEBI:50860) |