EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H23N3O6 |
| Net Charge | 0 |
| Average Mass | 413.430 |
| Monoisotopic Mass | 413.15869 |
| SMILES | COc1c(C=NNC(=O)c2ccccc2O)c(CCN(C)C(C)=O)cc2c1OCO2 |
| InChI | InChI=1S/C21H23N3O6/c1-13(25)24(2)9-8-14-10-18-20(30-12-29-18)19(28-3)16(14)11-22-23-21(27)15-6-4-5-7-17(15)26/h4-7,10-11,26H,8-9,12H2,1-3H3,(H,23,27) |
| InChIKey | KLJKYXJKBRDKIO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[6-[2-[acetyl(methyl)amino]ethyl]-4-methoxy-1,3-benzodioxol-5-yl]methylideneamino]-2-hydroxybenzamide (CHEBI:120579) is a salicylamides (CHEBI:53443) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32022 | LINCS |