EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H42O7 |
| Net Charge | 0 |
| Average Mass | 430.582 |
| Monoisotopic Mass | 430.29305 |
| SMILES | C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(=O)CC(=O)O)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C23H42O7/c1-18-20(25)17-21(26)23(30-18)29-15-13-11-9-7-5-3-2-4-6-8-10-12-14-19(24)16-22(27)28/h18,20-21,23,25-26H,2-17H2,1H3,(H,27,28)/t18-,20+,21+,23+/m0/s1 |
| InChIKey | WBJYSXRSIAGUFW-BWKHYTDRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bkos#30 (CHEBI:139940) is a organic molecular entity (CHEBI:50860) |