Mol:LBGnnccg:R:R:g


48 46  0  0  0  0  0  0  0  0999 V2000 
   0.8760    0.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6716    0.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8295    1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8635   -1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9410   -1.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1057   -1.6270    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1057   -0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1248   -1.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1057   -2.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.3865   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   8.7596   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  11.2638   -1.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  12.0207   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  12.0207   -2.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  12.0207   -4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  12.9719   -2.9663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  12.9719   -4.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  13.7289   -2.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  13.7289   -4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  14.4860   -2.9663    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
  13.7289   -2.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  13.7289   -3.4516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  14.4860   -4.2087    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
  11.1182   -2.9663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0045    1.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1795    1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4966    0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1493    1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8295    0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.7034    2.9251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.9078    2.9179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -8.7499    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -8.7160    1.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.6385    1.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4737    1.2848    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4737    2.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4061    1.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4737    0.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.5749    4.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 -10.3999    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.0828    2.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -14.4860    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -8.7499    2.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   9.3904   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   9.3904   -0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  10.2154   -0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  10.2154    0.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  11.0404   -0.1711    0.0000 R3  0  0  0  0  0  0  0  0  0  0  0  0 
 4  5  1  0 
 5  6  1  0 
 6  7  2  0 
 6  8  1  0 
 6  9  1  0 
 8 10  1  0 
12 13  1  0 
15 17  1  0 
16 18  1  0 
17 19  1  0 
18 20  1  0 
18 21  2  0 
19 22  2  0 
19 23  1  0 
13 14  1  6 
14 15  1  6 
14 24  1  1 
14 16  1  1 
 3 25  1  0 
25 26  1  0 
 2 27  1  0 
 3 29  1  6 
 4 29  1  6 
29  2  1  1 
29  1  1  1 
33 34  1  0 
34 35  1  0 
35 36  2  0 
35 37  1  0 
35 38  1  0 
32 39  1  0 
39 40  1  0 
31 41  1  0 
32 43  1  6 
33 43  1  6 
43 31  1  1 
43 30  1  1 
28 37  1  0 
40 42  1  0 
26 28  1  0 
11 12  1  0 
10 11  1  0 
44 45  1  0 
45 46  1  0 
46 47  2  0 
46 48  1  0 

A 10 6Glca1 A 11 2Glca1 A 26 6Gala1 A 27 1Gala A 28 6Gala1 A 40 6Gala1 A 41 1Gala A 42 Gala1 A 44 6 M STY 1 1 GEN M SLB 1 1 1 M SAL 1 14 9 2 28 3 29 8 1 25 7 6 5 4 26 27 M SBL 1 2 38 6 M SDI 1 4 -4.6588 -3.0683 -4.6588 2.2215 M SDI 1 4 5.6294 2.2215 5.6294 -3.0683 S SKP 5 ID LBGnnccg:R:R:ggggggggg:01 FORMULA EXACTMASS AVERAGEMASS SMILES M END