EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H17O7 |
| Net Charge | -1 |
| Average Mass | 261.250 |
| Monoisotopic Mass | 261.09798 |
| SMILES | C[C@@H]1O[C@@H](O[C@H](C)C(=O)CC(=O)[O-])[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C11H18O7/c1-5-7(12)3-9(14)11(17-5)18-6(2)8(13)4-10(15)16/h5-7,9,11-12,14H,3-4H2,1-2H3,(H,15,16)/p-1/t5-,6+,7+,9+,11-/m0/s1 |
| InChIKey | IVDIZIGRLYEYMK-IREMQWHZSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bkas#9(1-) (CHEBI:139893) is a organic molecular entity (CHEBI:50860) |