Chem
J-GLOBAL ID:200907065045466595
Nikkaji number:J10.589I Dhurrin デュリン
Download MOL file 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(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-/m1/s1
InChI key:
NVLTYOJHPBMILU-YOVYLDAJSA-N
SMILES:
OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3): (S)-α-(β-D-グルコピラノシルオキシ)-4-ヒドロキシベンゼンアセトニトリル (2S)-2-(4-ヒドロキシフェニル)-2-{[(2R,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}アセトニトリル (2S)-2-(4-hydroxyphenyl)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile Other name (3): デュリン Dhurrin (S)-α-(β-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile CAS registry number:
499-20-7
Regulation number (1): Thsaurus map: Return to Previous Page