Mol:Berberine

 
  ACD/Labs01040810143D 
 
 25 29  0  0  0  0  0  0  0  0  2 V2000 
   22.8805  -16.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.8805  -17.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.7286  -15.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.7286  -18.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.5768  -16.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.5768  -17.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.1842  -16.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.1842  -17.3461    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
   24.0323  -15.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.0323  -18.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.4879  -16.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.4879  -17.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.3360  -15.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.3360  -18.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.6398  -14.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.6398  -15.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.4879  -13.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.3361  -14.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4250  -18.0111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.7286  -19.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.5767  -20.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.2732  -17.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.6282  -13.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   29.0871  -11.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.7644  -12.0549    0.0000 O   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  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 
  6 19  1  0  0  0  0 
  4 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
 23 15  1  0  0  0  0 
 24 23  1  0  0  0  0 
 25 17  1  0  0  0  0 
 25 24  1  0  0  0  0 
M  CHG  1   8   1 
S  SKP  5 
ID	Berberine 
FORMULA	C20H18NO4 
EXACTMASS	336.12358306899995 
AVERAGEMASS	336.36125999999996 
SMILES	COc(c5)c(OC)c(c4)c(c5)cc([n+1]34)c(c1)c(CC3)cc(O2)c(OC2)1 
M  END