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