Chem
J-GLOBAL ID:200907076086668854
Nikkaji number:J2.765.661G
p-Glucosyloxymandelonitrile
p-グルコシルマンデロニトリル
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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:
C14 H17 NO7
Molecular formula furigana:
C14-H17-N-O7
Molecular weight:
311.290
InChI:
InChI=1S/C14H17NO7/c15-5-9(17)7-1-3-8(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
InChI key:
RSMOYVJMDHSTEV-MXNNCRBYSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2)C(O)C#N)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3):
4-(β-D-グルコピラノシルオキシ)-α-ヒドロキシベンゼンアセトニトリル
2-ヒドロキシ-2-(4-{[(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}フェニル)アセトニトリル
2-hydroxy-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile
Other name (3):
4-(β-D-Glucopyranosyloxy)-α-hydroxybenzeneacetonitrile
p-Glucosyloxymandelonitrile
p-グルコシルマンデロニトリル
CAS registry number:
22660-95-3
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