EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H40NO10 |
| Net Charge | -1 |
| Average Mass | 538.614 |
| Monoisotopic Mass | 538.26577 |
| SMILES | [H]C(C)(CCCCCCC(=O)[O-])O[C@]1([H])OC([H])(C)[C@]([H])(OC(=O)CCC(=O)NC[C@]([H])(O)c2ccc(O)cc2)CC1([H])O |
| InChI | InChI=1S/C27H41NO10/c1-17(7-5-3-4-6-8-25(33)34)36-27-21(30)15-23(18(2)37-27)38-26(35)14-13-24(32)28-16-22(31)19-9-11-20(29)12-10-19/h9-12,17-18,21-23,27,29-31H,3-8,13-16H2,1-2H3,(H,28,32)(H,33,34)/p-1/t17?,18?,21?,22-,23+,27+/m0/s1 |
| InChIKey | SCVSSJPXRIMMTB-QHPTULIBSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| osas#10(1-) (CHEBI:140796) is a organic molecular entity (CHEBI:50860) |