EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H23O7 |
| Net Charge | -1 |
| Average Mass | 291.320 |
| Monoisotopic Mass | 291.14493 |
| SMILES | C[C@H](CC[C@H](O)CC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C13H24O7/c1-7(3-4-9(14)5-12(17)18)19-13-11(16)6-10(15)8(2)20-13/h7-11,13-16H,3-6H2,1-2H3,(H,17,18)/p-1/t7-,8+,9+,10-,11-,13-/m1/s1 |
| InChIKey | LIEFCBSFNITGPQ-JNSYVGBKSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bhas#1(1-) (CHEBI:139718) is a organic molecular entity (CHEBI:50860) |