Mol:LBPR02020030

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 31  0  0  0  0  0  0  0  0999 V2000 
   13.2321   -3.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3660   -4.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5000   -3.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5000   -2.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3660   -2.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.2321   -2.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6340   -2.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6340   -1.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5000   -0.7811    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   11.0000    0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.0000    0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.5000    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5000    0.9510    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   12.0000    0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0000    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0000    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0000    0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5000    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5000    2.6830    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.0000    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0000    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000    4.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000    4.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    5.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.0981   -4.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6340   -4.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3660   -1.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3660   -5.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 29  1  0  0  0  0 
 29  5  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
  9 14  1  4  0  0  0 
  2 30  1  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 13 17  1  4  0  0  0 
 16 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 19 21  1  4  0  0  0 
 20 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
  1 27  1  0  0  0  0 
  3 28  1  0  0  0  0 
S  SKP  5 
ID	LBPR02020030 
FORMULA	C28H46O2 
EXACTMASS	414.349780716 
AVERAGEMASS	414.66364000000004 
SMILES	c(O2)(c1)c(CCC(C)2CCCC(C)CCCC(CCC=C(C)C)C)c(c(c(C)1)O)C 
M  END