Mol:Evodiamine

 
  ACD/Labs11100715542D 
 
 24 28  0  0  1  0  0  0  0  0  1 V2000 
   25.8129   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.8129   -5.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6610   -3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6610   -6.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.5092   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.5092   -5.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1166   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1166   -5.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9647   -6.0571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4203   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4203   -5.3921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2684   -3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2684   -6.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5722   -6.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5722   -7.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4203   -8.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2685   -7.3871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2543   -4.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7240   -5.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1167   -8.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7241   -8.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7241   -9.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5722  -10.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4204   -9.3821    0.0000 C   0  0  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  4  1  0  0  0  0 
  6  5  2  0  0  0  0 
  9  8  1  0  0  0  0 
  2  9  1  0  0  0  0 
  2  1  1  0  0  0  0 
 11 10  1  0  0  0  0 
 12 10  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 13  1  0  0  0  0 
  8  7  2  0  0  0  0 
 15 14  1  0  0  0  0 
 11 14  1  0  0  0  0 
 13 11  1  0  0  0  0 
 17 16  1  0  0  0  0 
 17 13  1  0  0  0  0 
  1  7  1  0  0  0  0 
 13 18  1  1  0  0  0 
 14 19  2  0  0  0  0 
 17 20  1  0  0  0  0 
 22 21  1  0  0  0  0 
 15 21  2  0  0  0  0 
 23 22  2  0  0  0  0 
 16 15  1  0  0  0  0 
 24 23  1  0  0  0  0 
 24 16  2  0  0  0  0 
S  SKP  5 
ID	Evodiamine 
FORMULA	C19H17N3O 
EXACTMASS	303.137162181 
AVERAGEMASS	303.35790000000003 
SMILES	c(c5)cc(n1)c(c5)c(C4)c1C([H])(N(C)2)N(C4)C(=O)c(c3)c(ccc3)2 
M  END