Mol:PR100069

 
  ACD/Labs12020611323D 
 
 16 18  0  0  0  0  0  0  0  0  1 V2000 
   12.7688   -9.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.8455   -8.6870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   13.1787  -10.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9208   -9.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.5089  -10.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.4682   -9.1902   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5774  -10.1779   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.2880  -11.7207   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9873  -11.4430   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.2218   -9.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.1109  -10.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   15.3979  -11.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.6990  -11.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.6339   -7.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.2767   -9.9003   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3859  -10.8879   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  2  0  0  0  0 
  4  2  1  0  0  0  0 
  5  3  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  1  1  0  0  0  0 
  7  6  2  0  0  0  0 
  8  3  1  0  0  0  0 
  9  7  1  0  0  0  0 
  9  8  2  0  0  0  0 
 10  4  2  0  0  0  0 
  5  4  1  0  0  0  0 
 11 10  1  0  0  0  0 
 12  5  1  0  0  0  0 
 13 11  1  0  0  0  0 
 13 12  1  0  0  0  0 
 10 14  1  0  0  0  0 
  7 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
S  SKP  7 
CAS_RN	304-21-2 
NAME	Harmaline 
ID	PR100069 
FORMULA	C13H14N2O 
EXACTMASS	214.11061308 
AVERAGEMASS	214.26314 
SMILES	COc(c3)cc(=N1)c(c3)=C(C2)C(=C(C)NC2)1 
M  END