EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H30N2O3 |
| Net Charge | 0 |
| Average Mass | 454.570 |
| Monoisotopic Mass | 454.22564 |
| SMILES | O=C(O)CCCCCCCOc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 |
| InChI | InChI=1S/C29H30N2O3/c32-26(33)21-13-2-1-3-14-22-34-29-30-27(23-15-7-4-8-16-23)28(24-17-9-5-10-18-24)31(29)25-19-11-6-12-20-25/h4-12,15-20H,1-3,13-14,21-22H2,(H,32,33) |
| InChIKey | JJNUVQIGQRFZAC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| octimibate (CHEBI:748487) is a imidazoles (CHEBI:24780) |
| INNs | Source |
|---|---|
| octimibate | WHO MedNet |
| octimibato | WHO MedNet |
| Citations |
|---|