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 
  -2.4702   -0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -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