EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22O8 |
| Net Charge | 0 |
| Average Mass | 390.388 |
| Monoisotopic Mass | 390.13147 |
| SMILES | OC[C@H]1O[C@@H](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/t16-,17-,18+,19-,20-/m1/s1 |
| InChIKey | HSTZMXCBWJGKHG-OUUBHVDSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:94610) is a glycoside (CHEBI:24400) |
| (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:94610) is a stilbenoid (CHEBI:26776) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5542 | LINCS |