Mol:LBG06ccg:R:R:g 2


35 33  0  0  0  0  0  0  0  0999 V2000 
  -3.2733    1.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4777    1.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3197    2.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2858   -0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2083   -0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0436   -0.1711    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0436    0.6054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9270   -0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0436   -1.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8976   -0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2706   -0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.7748   -0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   7.5317   -0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.5317   -1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.5317   -2.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   8.4830   -1.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   8.4830   -2.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   9.2399   -1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   9.2399   -2.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   9.9971   -1.5104    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
   9.2399   -0.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   9.2399   -1.9957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   9.9971   -2.7528    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   6.6292   -1.5104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1447    2.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9697    2.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6527    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.9346    2.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.9971    2.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3197    1.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9015    0.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9015    1.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7265    1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7265    2.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5515    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 
28 29  1  0 
 3 30  1  6 
 4 30  1  6 
30  2  1  1 
30  1  1  1 
26 28  1  0 
11 12  1  0 
10 11  1  0 
31 32  1  0 
32 33  1  0 
33 34  2  0 
33 35  1  0 

A 10 6Glca1 A 11 2Glca1 A 26 6Gala1 A 27 1Gala A 28 6Gala1 A 29 Gala1 A 31 6 S SKP 5 ID LBG06ccg:R:R:ggggggggg:02 FORMULA EXACTMASS AVERAGEMASS SMILES M END