Mol:Dehydrocorydaline nitrate

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Dehydrocorydaline nitrate.png

 
  ACD/Labs12070716502D 
 
 31 33  0  0  0  0  0  0  0  0  2 V2000 
   26.3899   -8.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.3899   -9.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.2379   -7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.2379  -10.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.0862   -8.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.0862   -9.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.6935   -8.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.6935   -9.3981    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
   27.5416   -7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5416  -10.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.9972   -8.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.9972   -9.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.8453   -7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.8453  -10.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.1491   -6.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.1491   -7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.9972   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.8454   -6.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.2379  -11.3930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.9345  -10.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   33.3010   -5.4081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.9974   -4.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5416   -6.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.7827   -9.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.0861  -12.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.1493   -3.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   34.4528   -6.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.4493  -14.7422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7793  -14.7422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7793  -13.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.1093  -14.7422    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
  3  1  2  0  0  0  0 
  4  2  2  0  0  0  0 
  5  3  1  0  0  0  0 
  6  5  2  0  0  0  0 
  9  7  2  0  0  0  0 
 10  8  2  0  0  0  0 
  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2  1  1  0  0  0  0 
 12 11  1  0  0  0  0 
 14 12  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8 14  1  0  0  0  0 
  8  7  1  0  0  0  0 
 16 15  1  0  0  0  0 
 17 15  2  0  0  0  0 
 11 16  2  0  0  0  0 
 18 17  1  0  0  0  0 
 13 11  1  0  0  0  0 
 13 18  2  0  0  0  0 
 19  4  1  0  0  0  0 
  6  4  1  0  0  0  0 
 20  6  1  0  0  0  0 
 15 21  1  0  0  0  0 
 17 22  1  0  0  0  0 
  9 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
 19 25  1  0  0  0  0 
 22 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  2  0  0  0  0 
 29 31  1  0  0  0  0 
M  CHG  2   8   1  31  -1 
S  SKP  5 
ID	Dehydrocorydaline nitrate 
FORMULA	C22H24N2O7 
EXACTMASS	428.158351132 
AVERAGEMASS	428.43524 
SMILES	[O-1]N(=O)=O 
M  END
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