EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H28N2O5 |
| Net Charge | 0 |
| Average Mass | 424.497 |
| Monoisotopic Mass | 424.19982 |
| SMILES | COc1ccccc1-c1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O |
| InChI | InChI=1S/C24H28N2O5/c1-16-22(17-5-3-4-6-21(17)30-2)23(29)18-7-8-20(28)19(24(18)31-16)15-26-11-9-25(10-12-26)13-14-27/h3-8,27-28H,9-15H2,1-2H3 |
| InChIKey | KLTSZBAFPQFRLD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-3-(2-methoxyphenyl)-2-methyl-1-benzopyran-4-one (CHEBI:121570) is a isoflavones (CHEBI:38757) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33013 | LINCS |