EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H24O9 |
| Net Charge | 0 |
| Average Mass | 360.359 |
| Monoisotopic Mass | 360.14203 |
| SMILES | COc1cc(C(CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |
| InChI | InChI=1S/C16H24O9/c1-23-11-4-8(2-3-10(11)19)9(5-17)7-24-16-15(22)14(21)13(20)12(6-18)25-16/h2-4,9,12-22H,5-7H2,1H3/t9?,12-,13-,14+,15-,16-/m1/s1 |
| InChIKey | REHZVRNVHQFBAF-YLHHEPAUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Junipediol A 8-glucoside (CHEBI:181643) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| (2R,3R,4S,5S,6R)-2-[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| 22936644 | ChemSpider |