Mol:LBG05ccg:R:R:g

34 32  0  0  0  0  0  0  0  0999 V2000 
  -4.2439    1.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4483    1.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2903    2.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2564   -0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1789   -0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0142   -0.1711    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0142    0.6054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0436   -0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0142   -1.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9270   -0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3000   -0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8042   -0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5611   -0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5611   -1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5611   -2.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.5124   -1.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   7.5124   -2.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   8.2693   -1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   8.2693   -2.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   9.0265   -1.5104    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
   8.2693   -0.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   8.2693   -1.9957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   9.0265   -2.7528    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   5.6586   -1.5104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1153    2.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9403    2.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6233    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.0265    2.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2903    1.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9309    0.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9309    1.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.7559    1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.7559    2.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.5809    1.2848    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 
26 28  1  0 
 3 29  1  6 
 4 29  1  6 
29  2  1  1 
29  1  1  1 
11 12  1  0 
10 11  1  0 
30 31  1  0 
31 32  1  0 
32 33  2  0 
32 34  1  0 

A 10 6Glca1 A 11 2Glca1 A 26 6Gala1 A 27 1Gala A 28 Gala1 A 30 6 S SKP 5 ID LBG05ccg:R:R:ggggggggg:01 FORMULA EXACTMASS AVERAGEMASS SMILES M END