EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H17N3O7S |
| Net Charge | 0 |
| Average Mass | 347.349 |
| Monoisotopic Mass | 347.07872 |
| SMILES | O=C(CCCCCC(=O)NN=Cc1ccc(S(=O)(=O)O)o1)NO |
| InChI | InChI=1S/C12H17N3O7S/c16-10(4-2-1-3-5-11(17)15-18)14-13-8-9-6-7-12(22-9)23(19,20)21/h6-8,18H,1-5H2,(H,14,16)(H,15,17)(H,19,20,21) |
| InChIKey | JQYMSOQAVLOHGP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36392 (CHEBI:124934) is a arenesulfonic acid (CHEBI:33555) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36392 | LINCS |