Mol:LBGPIpcc:p:R:R


32 28  0  0  0  0  0  0  0  0999 V2000 
   0.6608    1.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3125    1.4142    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9834    1.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8084    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3234    1.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3125    0.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9986    2.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8084    1.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9986    1.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7322    1.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1094    1.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7322    2.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8084    2.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1094    1.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7322    0.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9986    0.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7322    3.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9875    2.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8084    0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0940    0.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3795    0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3795    1.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6650    0.1602    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   2.8084   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0940   -0.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0940   -1.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8084   -1.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3795   -1.9023    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5678   -1.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5197   -3.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5581   -2.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5581   -1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 2  5  2  0 
 2  6  1  0 
 7  8  1  0 
 8  9  1  1 
 9 10  1  1 
11 10  1  1 
11 12  1  0 
 7 12  1  0 
 8 13  1  0 
11 14  1  0 
10 15  1  0 
 9 16  1  0 
12 17  1  0 
 7 18  1  0 
 1 14  1  0 
 4 19  1  0 
19 24  1  0 
19 20  1  0 
20 21  1  0 
21 22  2  0 
21 23  1  0 
24 25  1  0 
25 26  1  0 
26 27  2  0 
26 28  1  0 

A 15 Man A 17 Mann A 29 n=0 monomannoside A 30 n=3 tetramannoside A 31 n=2 trimannoside A 32 n=1 dimannoside M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 19 20 21 22 23 M SBL 1 2 19 20 M SMT 1 CHOCO-R1 M SBV 1 19 0.0000 0.8250 M SBV 1 20 0.0000 0.8250 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 24 25 26 27 28 M SBL 2 1 20 M SMT 2 CH2OCO-R2 M SBV 2 20 0.0000 0.8250 S SKP 5 ID LBGPIpcc:ppppppppp:R:R:01 FORMULA C18H39O11PR1R2 EXACTMASS 554.2062986 AVERAGEMASS 554.4527210000001 SMILES C M END