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CHEBI:16267 - (R)-4-hydroxymandelonitrile β-D-glucoside

ChEBI IDCHEBI:16267
ChEBI Name(R)-4-hydroxymandelonitrile β-D-glucoside
Stars
ASCII Name(R)-4-hydroxymandelonitrile beta-D-glucoside
DefinitionA β-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring.
Secondary ChEBI IDsCHEBI:9418, CHEBI:15207, CHEBI:26862
Last Modified13 November 2017
DownloadsMolfile
FormulaC14H17NO7
Net Charge0
Average Mass311.290
Monoisotopic Mass311.10050
SMILESN#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1
InChIInChI=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+/m0/s1
InChIKeyNVLTYOJHPBMILU-GMDXDWKASA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:16267) has functional parent (R)-prunasin (CHEBI:17396)
(R)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:16267) is a nitrile (CHEBI:18379)
(R)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:16267) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(2R)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
Synonyms  Source
TaxiphyllinKEGG COMPOUND
(R)-p-hydroxymandelonitrile-D-glucopyranosideChemIDplus
(R)-alpha-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrileChemIDplus
(R)-4-Hydroxymandelonitrile beta-D-glucosideKEGG COMPOUND
UniProt Name  Source
taxiphyllinUniProt
Manual XrefsDatabases
C01855KEGG COMPOUND
CN101112354Patent
CN101112355Patent
Registry NumbersSources
Reaxys:92612Reaxys
CAS:21401-21-8KEGG COMPOUND
CAS:21401-21-8ChemIDplus
Citations