EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H17NO3 |
| Net Charge | 0 |
| Average Mass | 223.272 |
| Monoisotopic Mass | 223.12084 |
| SMILES | CC=CCC=CCCC(=O)[C@H]1O[C@H]1C(N)=O |
| InChI | InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/t10-,11-/m1/s1 |
| InChIKey | GVEZIHKRYBHEFX-GHMZBOCLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide (CHEBI:94649) is a epoxide (CHEBI:32955) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0015168 | HMDB |
| LSM-5629 | LINCS |