EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H34N2O6 |
| Net Charge | 0 |
| Average Mass | 542.632 |
| Monoisotopic Mass | 542.24169 |
| SMILES | COc1cc(OC)c2c(C)cc(=O)oc2c1C(CCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C32H34N2O6/c1-21-17-29(35)40-32-30(21)27(36-2)19-28(37-3)31(32)24(22-9-10-25-26(18-22)39-20-38-25)11-12-33-13-15-34(16-14-33)23-7-5-4-6-8-23/h4-10,17-19,24H,11-16,20H2,1-3H3 |
| InChIKey | RUGOEWKUIVRDKO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-4-methyl-1-benzopyran-2-one (CHEBI:123421) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34863 | LINCS |