EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H20N2O5 |
| Net Charge | 0 |
| Average Mass | 416.433 |
| Monoisotopic Mass | 416.13722 |
| SMILES | O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1Cc1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C24H20N2O5/c27-24-18-4-2-1-3-17(18)23(25-16-6-8-19-22(12-16)29-10-9-28-19)26(24)13-15-5-7-20-21(11-15)31-14-30-20/h1-8,11-12,23,25H,9-10,13-14H2 |
| InChIKey | CAJQOVPEDOVOOP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3H-isoindol-1-one (CHEBI:109227) is a isoindoles (CHEBI:24897) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20624 | LINCS |