EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H22O8 |
| Net Charge | 0 |
| Average Mass | 450.443 |
| Monoisotopic Mass | 450.13147 |
| SMILES | COc1cc(-c2coc3cc(OCc4ccccc4)c(OC)c(O)c3c2=O)cc(O)c1OC |
| InChI | InChI=1S/C25H22O8/c1-29-19-10-15(9-17(26)24(19)30-2)16-13-33-18-11-20(32-12-14-7-5-4-6-8-14)25(31-3)23(28)21(18)22(16)27/h4-11,13,26,28H,12H2,1-3H3 |
| InChIKey | WSKWDXWDFFVUKX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-phenylmethoxy-1-benzopyran-4-one (CHEBI:107632) is a 4'-methoxyisoflavones (CHEBI:133959) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18989 | LINCS |