EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H17NO5 |
| Net Charge | 0 |
| Average Mass | 279.292 |
| Monoisotopic Mass | 279.11067 |
| SMILES | C=C1[C@H](O)[C@@]2(C(=O)N1OC)/C(=C\CC)C=CC(=O)[C@@H]2O |
| InChI | InChI=1S/C14H17NO5/c1-4-5-9-6-7-10(16)12(18)14(9)11(17)8(2)15(20-3)13(14)19/h5-7,11-12,17-18H,2,4H2,1,3H3/b9-5-/t11-,12-,14-/m0/s1 |
| InChIKey | UEEZHRJFRYRGNC-WNJMZAGESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Westerdykella dispersa (ncbitaxon:45154) | - | PubMed (28931947) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Triticone D (CHEBI:206975) is a cyclohexenones (CHEBI:48953) |
| IUPAC Name |
|---|
| (4R,5S,6Z,10R)-4,10-dihydroxy-2-methoxy-3-methylidene-6-propylidene-2-azaspiro[4.5]dec-7-ene-1,9-dione |
| Manual Xrefs | Databases |
|---|---|
| 8237688 | ChemSpider |