EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H25N3O4 |
| Net Charge | 0 |
| Average Mass | 419.481 |
| Monoisotopic Mass | 419.18451 |
| SMILES | COC1=CC(=CNNC(=O)C(=O)CC2=NC3(CCCC3)Cc3ccccc32)C=CC1=O |
| InChI | InChI=1S/C24H25N3O4/c1-31-22-12-16(8-9-20(22)28)15-25-27-23(30)21(29)13-19-18-7-3-2-6-17(18)14-24(26-19)10-4-5-11-24/h2-3,6-9,12,15,25H,4-5,10-11,13-14H2,1H3,(H,27,30) |
| InChIKey | KVFUXSWOSCTDOS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N'-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-oxo-3-(1-spiro[4H-isoquinoline-3,1'-cyclopentane]yl)propanehydrazide (CHEBI:108939) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20337 | LINCS |