Mol:Hirsutine

 
  ACD/Labs12010713212D 
 
 28 31  0  0  1  0  0  0  0  0  1 V2000 
   25.4764   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.4764   -5.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.3244   -3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.3244   -6.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.1727   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.1727   -5.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.7800   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.7800   -5.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.6281   -6.0571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   30.0837   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.0837   -5.3921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   28.9318   -3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.9318   -6.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.2356   -6.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.2356   -7.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.0837   -8.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.9319   -7.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.3875   -8.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.2356  -10.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.0839   -9.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.9322  -10.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.7804   -9.3824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.9324  -11.3772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.9318   -4.7271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   26.6288  -10.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   33.5393   -7.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.3875   -9.3822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   33.5393  -10.0472    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 13  1  0  0  0  0 
 15 18  1  6  0  0  0 
 16 15  1  0  0  0  0 
 20 19  2  0  0  0  0 
 17 16  1  0  0  0  0 
 16 20  1  1  0  0  0 
 21 20  1  0  0  0  0 
 22 21  1  0  0  0  0 
 21 23  2  0  0  0  0 
  7  1  1  0  0  0  0 
 13 24  1  1  0  0  0 
 25 22  1  0  0  0  0 
 18 26  1  0  0  0  0 
 19 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
S  SKP  5 
ID	Hirsutine 
FORMULA	C22H28N2O3 
EXACTMASS	368.20999277199996 
AVERAGEMASS	368.46940000000006 
SMILES	COC=C(C(=O)OC)C(C(CC)4)CC([H])(N3C4)c(n1)c(CC3)c(c2)c(ccc2)1 
M  END