EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H20N2O7S |
| Net Charge | 0 |
| Average Mass | 360.388 |
| Monoisotopic Mass | 360.09912 |
| SMILES | COC(=O)CCCCCCC(=O)NN=Cc1ccc(S(=O)(=O)O)o1 |
| InChI | InChI=1S/C14H20N2O7S/c1-22-13(18)7-5-3-2-4-6-12(17)16-15-10-11-8-9-14(23-11)24(19,20)21/h8-10H,2-7H2,1H3,(H,16,17)(H,19,20,21) |
| InChIKey | PMBONNUBWSXALJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36391 (CHEBI:124933) is a arenesulfonic acid (CHEBI:33555) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36391 | LINCS |