Mol:LBST03020046

 
 
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 
    7.3696   -1.3026    0.0000 C   0  0  0  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 
    8.2356   -2.8026    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 
    3.9563    3.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2653    2.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2435    2.4575    0.0000 C   0  0  1  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 
    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  1  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 
    5.9126    3.2007    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   -4.8026    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 
    2.0000    4.0323    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 
  3 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
  5 13  1  6  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 17 18  1  0  0  0  0 
 14 18  1  0  0  0  0 
 12 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 12 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 20 27  1  6  0  0  0 
  9 16  1  0  0  0  0 
 22 28  1  1  0  0  0 
 16 25  1  1  0  0  0 
 18 26  1  0  0  0  0 
 18 29  1  0  0  0  0 
S  SKP  5 
ID	LBST03020046 
FORMULA	C26H42O3 
EXACTMASS	402.31339520999995 
AVERAGEMASS	402.60988 
SMILES	[C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C([C@H]21)CCC[C@@](C)1[C@H](CC2)[C@H](C)CCC(C)(C)O 
M  END