EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H16N2O3 |
| Net Charge | 0 |
| Average Mass | 272.304 |
| Monoisotopic Mass | 272.11609 |
| SMILES | COc1cc2c(cc1OC)C1=C(C#N)COCN1CC2 |
| InChI | InChI=1S/C15H16N2O3/c1-18-13-5-10-3-4-17-9-20-8-11(7-16)15(17)12(10)6-14(13)19-2/h5-6H,3-4,8-9H2,1-2H3 |
| InChIKey | RLSMASSECQDNRN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9,10-dimethoxy-2,4,6,7-tetrahydro-[1,3]oxazino[4,3-a]isoquinoline-1-carbonitrile (CHEBI:116628) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28083 | LINCS |