Mol:LBST03020030

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
    8.2356    1.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2356    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3696   -0.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5035    0.1974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5035    1.1974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3696    1.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5525   -0.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9647    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5525    1.5065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2356   -1.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3696   -1.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2356   -2.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1016   -3.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9676   -2.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3696   -3.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3696   -4.3026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2356   -4.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1016   -4.3026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2435    2.4575    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9563    3.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7702    2.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781    3.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1861    4.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5035    2.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9126    3.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653    2.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9676   -4.8026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5035   -4.8026    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  1  0  0  0
  1  6  1  0  0  0  0
  4  7  1  6  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 20 26  1  0  0  0  0
 19 26  1  0  0  0  0
 21 22  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
  9 19  1  0  0  0  0
  5 24  1  6  0  0  0
 19 25  1  1  0  0  0
 18 28  1  1  0  0  0
 16 29  1  6  0  0  0
S  SKP  5
ID	LBST03020030
FORMULA	C25H40O4
EXACTMASS	404.29265976799996
AVERAGEMASS	404.5827
SMILES	[C@H](O)(C1)C[C@H](O)C(=C)C1=CC=C([C@@H]23)CCC[C@]2(C)[C@@H]([C@@H](OCC(C)(C)O)C)CC3
M  END

</pre>