EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H36O10 |
| Net Charge | 0 |
| Average Mass | 448.509 |
| Monoisotopic Mass | 448.23085 |
| SMILES | C=C[C@@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C21H36O10/c1-5-21(4,8-6-7-11(2)3)31-20-18(27)16(25)15(24)13(30-20)10-29-19-17(26)14(23)12(22)9-28-19/h5,7,12-20,22-27H,1,6,8-10H2,2-4H3/t12-,13+,14-,15+,16-,17+,18+,19-,20-,21-/m0/s1 |
| InChIKey | OKNPZRJNRSGKME-HUHXKEGASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3R)-3,7-dimethyl-1,6-octadien-3-yl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside (CHEBI:139460) is a O-acyl carbohydrate (CHEBI:52782) |
| Manual Xrefs | Databases |
|---|---|
| 22913087 | ChemSpider |