Chem
J-GLOBAL ID:200907057698633613
Nikkaji number:J6.462I
Linamarin
リナマリン
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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:
C10 H17 NO6
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):
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