EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H32O11 |
| Net Charge | 0 |
| Average Mass | 556.564 |
| Monoisotopic Mass | 556.19446 |
| SMILES | COc1cc(C(O)C2COC(c3cc(OC)c(O)c(OC)c3)C2COC(=O)c2ccc(O)cc2)cc(OC)c1O |
| InChI | InChI=1S/C29H32O11/c1-35-21-9-16(10-22(36-2)26(21)32)25(31)19-13-39-28(17-11-23(37-3)27(33)24(12-17)38-4)20(19)14-40-29(34)15-5-7-18(30)8-6-15/h5-12,19-20,25,28,30-33H,13-14H2,1-4H3 |
| InChIKey | GKUAMHFOTKRSPN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| SP(8-8)S (CHEBI:86944) is a lignan (CHEBI:25036) |
| Synonym | Source |
|---|---|
| SP-8,8-S | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 57433814 | ChemSpider |