View source for Mol:LBGPCkcp:18000SC01:YS2CA0001:YB2PHb001 2

 
 
 
 38 37  0  0  0  0  0  0  0  0999 V2000 
   -5.1659    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1562    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1562    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3409    0.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3312    2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.9812    1.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5062    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5159    0.7404    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5159    1.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5159   -0.0846    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
   -2.6909    0.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5062    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8659    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4534    0.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6284    0.0259    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
   -0.6284    0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1966    0.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6284   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.2187    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.8062    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.2188    2.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6812    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2687    1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4437    1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0312    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2062    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2063    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0313    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4438   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2688   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6813   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5063   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9188   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7438   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1563   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9813   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3938   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2188   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  2  3  1  0 
  1  4  1  0 
  3  5  1  0 
  2  6  1  0 
  5  7  1  0 
  4  8  1  0 
  8  9  2  0 
  8 10  1  0 
  8 11  1  0 
  7 12  2  0 
 11 13  1  0 
 13 14  1  0 
 14 15  1  0 
 15 16  1  0 
 15 17  1  0 
 15 18  1  0 
  6 20  1  0 
 19 20  1  0 
 20 21  2  0 
  7 22  1  0 
 22 23  1  0 
 23 24  1  0 
 24 25  1  0 
 25 26  1  0 
 26 27  1  0 
 27 28  1  0 
 28 29  1  0 
 29 30  1  0 
 30 31  1  0 
 31 32  1  0 
 32 33  1  0 
 33 34  1  0 
 34 35  1  0 
 35 36  1  0 
 36 37  1  0 
 37 38  1  0 
M  CHG  2  10  -1  15   1 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  6  13  14  15  16  17  18 
M  SBL   1  1  12 
M  SMT   1 CH2CH2N(CH3)3 
M  SBV   1  12   -0.8250    0.0000 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  3  19  20  21 
M  SBL   2  1  18 
M  SMT   2 CH3C^O 
M  SBV   2  18    0.8250    0.0000 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3 15  22  23  24  25  26  27  28  29  30  31  32  33  34  35  36 
M  SAL   3  2  37  38 
M  SBL   3  1  21 
M  SMT   3 (CH2)16CH3 
M  SBV   3  21   -0.8250    0.0000 
S  SKP  5 
ID	LBGPCkcp:18000SC01:YS2CA0001:YB2PHb001:02 
FORMULA	C28H56NO8P 
EXACTMASS	565.374354283 
AVERAGEMASS	565.719941 
SMILES	C(OC(COC(=O)CCCCCCCCCCCCCCCCC)COP([O-1])(=O)OCC[N+1](C)(C)C)(C)=O 
M  END