Mol:LBST03010027

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 33  0  0  0  0  0  0  0  0999 V2000
    4.6950    2.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140    4.6886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9152    5.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4975    5.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6785    3.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2773    2.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0797    2.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5445    0.6144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6785    0.1144    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8125    0.6144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8125   -0.3856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8125   -1.3855    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6785   -1.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5445   -1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5445   -0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8615   -0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2737   -0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8615   -1.6945    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8125   -2.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653   -3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5743   -2.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5525   -2.6456    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6473   -5.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872   -4.0125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000   -5.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2216   -3.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6180   -3.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    5.0954    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  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
 10  9  1  0  0  0  0
 10  6  1  1  0  0  0
  9 11  1  4  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  1  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 12 18  1  0  0  0  0
  8 10  1  0  0  0  0
 12 19  1  1  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 24 26  1  0  0  0  0
 18 22  1  0  0  0  0
 22 27  1  6  0  0  0
 25 28  1  1  0  0  0
  2 29  1  1  0  0  0
  8  9  1  0  0  0  0
S  SKP  5
ID	LBST03010027
FORMULA	C28H44O
EXACTMASS	396.33921603
AVERAGEMASS	396.64835999999997
SMILES	C(C2)(=C([C@H](C([C@@H]45)3CCC[C@]4(C)[C@@H]([C@@H](C=C[C@@H](C(C)C)C)C)CC5)[C@@H]23)1)CC[C@H](O)C1
M  END

</pre>