EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H21O7 |
| Net Charge | -1 |
| Average Mass | 277.293 |
| Monoisotopic Mass | 277.12928 |
| SMILES | C[C@H](C[C@@H](O)CC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C12H22O7/c1-6(3-8(13)4-11(16)17)18-12-10(15)5-9(14)7(2)19-12/h6-10,12-15H,3-5H2,1-2H3,(H,16,17)/p-1/t6-,7+,8-,9-,10-,12-/m1/s1 |
| InChIKey | ZWVCIFMJGVSXAP-BVTIPKRDSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bhas#12(1-) (CHEBI:139723) is a organic molecular entity (CHEBI:50860) |