Mol:LBST04030012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
    5.4641    4.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    5.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.7321    4.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    3.9019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981    3.4019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    3.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.4019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321    1.9019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    2.4019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321    0.9019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981    0.4019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    0.9019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    1.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9889    0.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3956   -0.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3902   -0.5762    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    2.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0593   -1.3193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.0374   -1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7503   -2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4194   -3.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1104   -3.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7795   -4.7077    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    6.4487   -5.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5227   -4.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    6.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.9019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1396   -6.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0364   -5.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  6  0  0  0 
  1  6  1  0  0  0  0 
  4  7  1  1  0  0  0 
  7  8  1  0  0  0  0 
  9  8  1  6  0  0  0 
  9 10  1  0  0  0  0 
  5 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 10 14  1  1  0  0  0 
 15 16  1  0  0  0  0 
 17 16  1  1  0  0  0 
 12 17  1  6  0  0  0 
 11 15  1  1  0  0  0 
  5 18  1  1  0  0  0 
 12 19  1  1  0  0  0 
 17 20  1  0  0  0  0 
 20 21  1  6  0  0  0 
 20 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  2 28  1  1  0  0  0 
  8 29  1  6  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  4  0  0  0 
 26 30  1  0  0  0  0 
 13 31  1  6  0  0  0 
 25 32  1  4  0  0  0 
S  SKP  5 
ID	LBST04030012 
FORMULA	C27H48O5 
EXACTMASS	452.35017464599997 
AVERAGEMASS	452.66702000000004 
SMILES	C(O)C(CCC[C@@H](C)[C@@H](C4)[C@@]([C@H]3C4)(C)[C@H](C[C@@H]([C@H]31)[C@](C2)(C)[C@H](C[C@H](C2)O)C[C@H]1O)O)(C)O 
M  END