Allomatrine
  -molcms-05192610582D

 22 25  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000    0.8660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3264    1.8508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.8660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6736    1.8508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.8660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0000   -1.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5000    0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  6  1  0  0  0  0
 20  2  1  0  0  0  0
 17 21  1  0  0  0  0
 21 13  1  0  0  0  0
 21  8  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
>  <ProductName>
Allomatrine

>  <CASNumber>
641-39-4

>  <MolecularFormula>
C15H24N2O

>  <MDLNo>


>  <MolWt>
248.36

>  <BoilingPoint>


>  <MeltingPoint>
106-107 oC

>  <MolFile>


>  <Smiles>
O=C1CCC[C@]2([H])[C@@]3([H])CCCN4CCC[C@@]([H])(CN21)[C@@]43[H]

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