Chem
J-GLOBAL ID：200907042821539336   Nikkaji number：J2.701.387B

Acalyphin

アカリフィン
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： C14H20N2O9
Molecular formula furigana： C14-H20-N2-O9
Molecular weight： 360.319
InChI： InChI=1S/C14H20N2O9/c1-16-8(18)3-7(23-2)14(5-15,13(16)22)25-12-11(21)10(20)9(19)6(4-17)24-12/h3,6,9-13,17,19-22H,4H2,1-2H3/t6-,9-,10+,11-,12+,13+,14-/m1/s1
InChI key： QZRKNNXRNBTODR-JKTRLFLGSA-N
SMILES： COC1=CC(=O)N(C)[C@@H](O)[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
Systematic name  (3)：
  • (2S,3R)-1-メチル-2-ヒドロキシ-3-(β-D-グルコピラノシルオキシ)-4-メトキシ-6-オキソ-1,2,3,6-テトラヒドロピリジン-3-カルボニトリル
  • (2S,3R)-2-ヒドロキシ-4-メトキシ-1-メチル-6-オキソ-3-{[(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}-1,2,3,6-テトラヒドロピリジン-3-カルボニトリル
  • (2S,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,6-tetrahydropyridine-3-carbonitrile
Other name (3)：
  • (2S,3R)-1-Methyl-2-hydroxy-3-(β-D-glucopyranosyloxy)-4-methoxy-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile
  • アカリフィン
  • Acalyphin
KEGG COMPOUND： C08324
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