EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H37NO14 |
| Net Charge | 0 |
| Average Mass | 623.608 |
| Monoisotopic Mass | 623.22140 |
| SMILES | CCOC(=O)[C@H]1CC=CC[C@H](C(=O)OCC)C(=O)O[C@H]2[C@@H](OC)O[C@H](CO)[C@@H](OC(=O)Nc3ccc(OC)cc3)[C@@H]2OC1=O |
| InChI | InChI=1S/C29H37NO14/c1-5-39-24(32)18-9-7-8-10-19(25(33)40-6-2)27(35)43-23-22(42-26(18)34)21(20(15-31)41-28(23)38-4)44-29(36)30-16-11-13-17(37-3)14-12-16/h7-8,11-14,18-23,28,31H,5-6,9-10,15H2,1-4H3,(H,30,36)/t18-,19-,20-,21-,22+,23-,28+/m1/s1 |
| InChIKey | NCHNHYZMDUFVHL-MDEMUCNQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36728 (CHEBI:125258) is a lipopolysaccharide (CHEBI:16412) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36728 | LINCS |