Chem
J-GLOBAL ID：200907057698633613   Nikkaji number：J6.462I

Linamarin

リナマリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C10H17NO6
Molecular formula furigana： C10-H17-N-O6
Molecular weight： 247.247
InChI： InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
InChI key： QLTCHMYAEJEXBT-ZEBDFXRSSA-N
SMILES： CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
Systematic name  (3)：
  • 2-(β-D-グルコピラノシルオキシ)-2-メチルプロパンニトリル
  • 2-メチル-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}プロパンニトリル
  • 2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile
Other name (5)：
  • リナマリン
  • ファセオルナチン
  • Linamarin
  • Phaseolunatin
  • 2-(β-D-Glucopyranosyloxy)-2-methylpropanenitrile
CAS registry number： 554-35-8
Regulation number (1)：
  • TZ4850000
KEGG COMPOUND： C01594
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