EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H21BrN2O5 |
| Net Charge | 0 |
| Average Mass | 413.268 |
| Monoisotopic Mass | 412.06338 |
| SMILES | COC(=O)CCCCCCC(=O)NN=Cc1cc2c(cc1Br)OCO2 |
| InChI | InChI=1S/C17H21BrN2O5/c1-23-17(22)7-5-3-2-4-6-16(21)20-19-10-12-8-14-15(9-13(12)18)25-11-24-14/h8-10H,2-7,11H2,1H3,(H,20,21) |
| InChIKey | HMSCJMKJTWCPID-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-8-oxooctanoic acid methyl ester (CHEBI:125268) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36738 | LINCS |