EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C14H17NO10 |
| Net Charge | 0 |
| Average Mass | 359.287 |
| Monoisotopic Mass | 359.08525 |
| SMILES | N#C/C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C(\C=C/C(=O)O)CC(=O)O |
| InChI | InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1-,7-6-/t8-,11-,12+,13-,14-/m1/s1 |
| InChIKey | LABCALMTQNDOAI-PKNBYVPASA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Triglochinin (CHEBI:9717) is a cyanogenic glycoside (CHEBI:23436) |
| Synonyms | Source |
|---|---|
| Triglochinin | KEGG COMPOUND |
| 2-Hexenedioic acid,4-(cyano(beta-D-glucopyranosyloxy)methylene)-, (E,Z)- | KEGG COMPOUND |