View source for Mol:LBGPxkcp:18000SC01:YS2CA0001:p

 
 
 
 38 36  0  0  0  0  0  0  0  0999 V2000 
    0.4077    1.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4173    2.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4173    2.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2327    1.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2423    2.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3639    2.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0577    1.2909    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0577    2.1159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0577    0.4659    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
    2.8827    1.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0673    2.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4798    2.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0673    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2423    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8298    0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0048    0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4077    0.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2327    0.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6452   -0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.8827   -1.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7077   -1.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1202   -2.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9452   -2.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3577   -2.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1827   -2.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.5952   -3.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6452    1.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8202    1.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4077    0.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4077    2.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7077    1.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1202    2.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9452    2.0054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3577    2.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1827    2.7199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5952    3.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8723    1.5934    0.0000 H   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 
  4  7  1  0 
  7  8  2  0 
  7  9  1  0 
  7 10  1  0 
  5 11  1  0 
  6 11  1  0 
 11 12  1  0 
 12 13  1  0 
 13 14  1  0 
 14 15  1  0 
 15 16  1  0 
 16 17  1  0 
 17 18  1  0 
 18 19  1  0 
 19 20  1  0 
 20 21  1  0 
 21 22  1  0 
 22 23  1  0 
 23 24  1  0 
 24 25  1  0 
 25 26  1  0 
 26 27  1  0 
  2 31  1  0 
 28 29  1  0 
 29 30  2  0 
 29 31  1  0 
 10 32  1  0 
 32 33  1  0 
 33 34  1  0 
 34 35  2  0 
 35 36  1  0 
 36 37  1  0 
M  CHG  1   9  -1 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1 15  11  12  13  14  15  16  17  18  19  20  21  22  23  24  25 
M  SAL   1  2  26  27 
M  SBL   1  2   9  10 
M  SMT   1 (CH2)17 
M  SBV   1   9   -0.8250    0.0000 
M  SBV   1  10    1.2966    0.0000 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  4  28  29  30  31 
M  SBL   2  1  27 
M  SMT   2 CH3CO^O 
M  SBV   2  27    0.8250    0.0000 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  6  32  33  34  35  36  37 
M  SBL   3  1  31 
M  SMT   3 CH2CH2NCOCH3 
M  SBV   3  31   -0.8250    0.0000 
S  SKP  5 
ID	LBGPxkcp:18000SC01:YS2CA0001:ppppppppp:01 
FORMULA	C27H54NO8P 
EXACTMASS	551.358704219 
AVERAGEMASS	551.693361 
SMILES	[H] 
M  END