View source for Mol:LBGPIccp:16000SC01:18000SC01:p 2

 
 
 
 57 57  0  0  0  0  0  0  0  0999 V2000 
    1.5951    6.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9094    5.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1239    5.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9094    4.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1394    4.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9562    5.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1394    5.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1239    4.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9562    5.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1394    4.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9094    5.1041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1394    6.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9094    6.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5883    6.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4133    6.2843    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4133    7.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4133    5.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5951    3.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8807    3.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4682    3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8807    2.4649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3567    3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3567    2.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1816    2.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1816    1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0066    1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0066    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8315    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8315   -0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6564   -0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6564   -0.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4814   -0.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4814   -1.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3063   -1.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3063   -2.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1312   -2.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1312   -3.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.9562   -3.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5951    2.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7702    2.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7702    1.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4846    0.7789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0558    0.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4682    0.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2462   -0.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1663   -1.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5481   -1.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1356   -2.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8501   -2.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4376   -3.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1520   -3.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7395   -4.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4540   -4.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0415   -5.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7559   -5.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3434   -6.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0579   -7.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0 
  3  4  1  1 
  4  5  1  1 
  6  5  1  1 
  6  7  1  0 
  2  7  1  0 
  3  8  1  0 
  6  9  1  0 
  5 10  1  0 
  4 11  1  0 
  7 12  1  0 
  2 13  1  0 
 14  1  1  0 
 14 15  1  0 
 15 16  2  0 
 15 17  1  0 
 15 13  1  0 
  1 18  1  0 
 18 19  1  0 
 19 20  1  0 
 20 21  2  0 
 20 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  2  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 
 18 39  1  0 
 39 40  1  0 
 40 41  1  0 
 41 42  2  0 
 41 43  1  0 
 43 44  1  0 
 44 45  1  0 
 45 46  1  0 
 46 47  1  0 
 47 48  1  0 
 48 49  1  0 
 49 50  1  0 
 50 51  1  0 
 51 52  1  0 
 52 53  1  0 
 53 54  1  0 
 54 55  1  0 
 55 56  1  0 
 56 57  1  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1 15  18  19  20  21  22  23  24  25  26  27  28  29  30  31  32 
M  SAL   1  6  33  34  35  36  37  38 
M  SBL   1  2  18  39 
M  SMT   1 CHOCO(CH2)7CH=CH(CH2)7CH3 
M  SBV   1  18    0.0000    2.8031 
M  SBV   1  39    0.0000   -1.4649 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2 15  39  40  41  42  43  44  45  46  47  48  49  50  51  52  53 
M  SAL   2  4  54  55  56  57 
M  SBL   2  1  39 
M  SMT   2 CH2OCO(CH2)14CH3 
M  SBV   2  39    0.0000    1.4649 
S  SKP  5 
ID	LBGPIccp:16000SC01:18000SC01:ppppppppp:02 
FORMULA	C43H81O13P 
EXACTMASS	836.541479188 
AVERAGEMASS	837.069201 
SMILES	C(C(=O)OC(COP(O)(=O)OC(C1O)C(C(C(C1O)O)O)O)COC(CCCCCCCCCCCCCCC)=O)CCCCCCC=CCCCCCCCC 
M  END