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

 
 
 
 57 57  0  0  0  0  0  0  0  0999 V2000 
    4.2756    5.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2356    5.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0211    4.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2356    4.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9945    4.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8112    4.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9945    5.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0211    4.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8112    5.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9945    3.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2356    4.8994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9945    6.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2356    6.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6360    5.5582    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4610    5.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6360    6.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6360    4.7332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2756    4.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5612    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1488    3.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5612    3.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3238    3.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3238    3.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4989    3.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4989    2.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6740    2.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6740    1.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1510    1.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1510    0.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9759    0.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9759   -0.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8008   -0.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8008   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6258   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6258   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4507   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4507   -2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2756   -2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2756    2.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4507    2.7426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4507    1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1651    1.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7363    1.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1488    0.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4344    0.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8468   -0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1324   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5449   -1.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8305   -1.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2429   -2.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5285   -3.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9410   -3.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2266   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6390   -4.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9246   -5.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3371   -5.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6227   -6.3830    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  9  1  0 
 14 15  1  0 
 14 16  2  0 
 14 17  1  0 
  1 15  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    1.3485 
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:01 
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