EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H28N2O4S |
| Net Charge | 0 |
| Average Mass | 368.499 |
| Monoisotopic Mass | 368.17698 |
| SMILES | CC=Cc1ccc2c(c1)O[C@@H](CNC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O |
| InChI | InChI=1S/C18H28N2O4S/c1-5-6-15-7-8-18-16(9-15)24-17(10-19-4)13(2)11-20(14(3)12-21)25(18,22)23/h5-9,13-14,17,19,21H,10-12H2,1-4H3/t13-,14+,17+/m1/s1 |
| InChIKey | NUVSEORICCJOQH-KEYYUXOJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-31075 (CHEBI:119629) is a styrenes (CHEBI:26799) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31075 | LINCS |