EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H30O8 |
| Net Charge | 0 |
| Average Mass | 506.551 |
| Monoisotopic Mass | 506.19407 |
| SMILES | COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2COC(=O)C=Cc2ccc(O)cc2)ccc1O |
| InChI | InChI=1S/C29H30O8/c1-34-26-14-19(5-10-24(26)31)13-21-16-37-29(20-7-11-25(32)27(15-20)35-2)23(21)17-36-28(33)12-6-18-3-8-22(30)9-4-18/h3-12,14-15,21,23,29-32H,13,16-17H2,1-2H3 |
| InChIKey | ZNVUQZAVBXKEGF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-4504 (CHEBI:93925) is a lignan (CHEBI:25036) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4504 | LINCS |