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CHEBI:27826 - (S)-4-hydroxymandelonitrile β-D-glucoside
| Formula | C14H17NO7 |
| Net Charge | 0 |
| Average Mass | 311.290 |
| Monoisotopic Mass | 311.10050 |
| SMILES | N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1 |
| InChI | InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1 |
| InChIKey | NVLTYOJHPBMILU-YOVYLDAJSA-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) |
| (S)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:27826) has functional parent (S)-prunasin (CHEBI:27761) |
| (S)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:27826) is a cyanogenic glycoside (CHEBI:23436) |
| (S)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:27826) is a monosaccharide derivative (CHEBI:63367) |
| (S)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:27826) is a nitrile (CHEBI:18379) |
| (S)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:27826) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| (2S)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile |
| Synonyms | Source |
|---|---|
| Dhurrin | KEGG COMPOUND |
| (S)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile | ChemIDplus |
| (S)-4-Hydroxymandelonitrile beta-D-glucoside | KEGG COMPOUND |
| (αS)-α-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile | ChemIDplus |
| UniProt Name | Source |
|---|---|
| dhurrin | UniProt |
| Citations |
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