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Substance Name: Linustatin
RN: 72229-40-4
InChIKey: FERSMFQBWVBKQK-CXTTVELOSA-N

Note

  • Cyanogenic glucoside from linseed oil.

Molecular Formula

  • C16-H27-N-O11

Molecular Weight

  • 409.385
 
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Names and Synonyms

Name of Substance

  • Linustatin

Synonym

  • 2-((6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)-2-methylpropanenitrile

Systematic Name

  • Propanenitrile, 2-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-2-methyl-

Registry Numbers

CAS Registry Number

  • 72229-40-4

System Generated Number

  • 0072229404

Structure Descriptors

InChI

1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1

InChIKey

FERSMFQBWVBKQK-CXTTVELOSA-N

Smiles

O1[C@H](CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)[C@@H](O)[C@H](O)[C@H]([C@@H]1OC(C)(C)C#N)O