EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H31O7 |
| Net Charge | -1 |
| Average Mass | 359.439 |
| Monoisotopic Mass | 359.20753 |
| SMILES | C[C@H](CCCCCCCC(=O)CC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C18H32O7/c1-12(24-18-16(21)11-15(20)13(2)25-18)8-6-4-3-5-7-9-14(19)10-17(22)23/h12-13,15-16,18,20-21H,3-11H2,1-2H3,(H,22,23)/p-1/t12-,13+,15-,16-,18-/m1/s1 |
| InChIKey | IRSPDSMWRKYLPC-HYUSYPKPSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bkas#20(1-) (CHEBI:139852) is a organic molecular entity (CHEBI:50860) |