Mol:LBST04010204

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
    4.5981    3.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    4.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    4.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660    4.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.0548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321    2.5548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.0000    2.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660    0.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.7321   -0.4452    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    0.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1229   -0.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5296   -1.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5241   -1.4233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.2444   -4.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5534   -3.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8843   -3.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1933   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.1714   -1.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    5.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2662   -5.0196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9135   -5.5548    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  0  0  0  0 
  6  1  1  6  0  0  0 
  5  7  1  6  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
  6 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  6  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  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 17 21  1  0  0  0  0 
 11 15  1  1  0  0  0 
 21 22  1  6  0  0  0 
 12 23  1  1  0  0  0 
  6 24  1  1  0  0  0 
  3 25  1  6  0  0  0 
 18 26  1  0  0  0  0 
 18 27  2  0  0  0  0 
S  SKP  5 
ID	LBST04010204 
FORMULA	C24H38O3 
EXACTMASS	374.28209508199996 
AVERAGEMASS	374.55672 
SMILES	[C@@H]([C@H](C)CCC(O)=O)(C4)[C@]([C@H]3C4)(CC[C@@H](C3=1)[C@@](C)(C2)[C@@H](C[C@@H](C2)O)CC1)C 
M  END