Mol:LBF20207PG07

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 26  0  0  0  0  0  0  0  0999 V2000 
    7.4801   -0.3953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.1711   -1.3463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.9801   -1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7891   -1.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4801   -0.3953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.2200   -1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0121   -2.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8923    0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2991    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7113    2.1363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.1180    3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5302    3.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0611   -2.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8532   -3.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9021   -4.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6942   -5.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431   -5.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9370    4.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3492    5.5814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.3547    5.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9801   -2.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7168    2.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0679    0.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7559    6.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -4.8477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5352   -6.4950    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 
  1  5  1  0  0  0  0 
  6  7  1  0  0  0  0 
  8  9  2  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 
  1  8  1  1  0  0  0 
  3 21  2  0  0  0  0 
  5 23  1  6  0  0  0 
  7 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 12 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 19 24  1  1  0  0  0 
 10 22  1  6  0  0  0 
  2  6  1  6  0  0  0 
 17 25  1  0  0  0  0 
 17 26  2  0  0  0  0 
S  SKP  5 
ID	LBF20207PG07 
FORMULA	C20H34O6 
EXACTMASS	370.23553882 
AVERAGEMASS	370.48036 
SMILES	[C@H]([C@@H](C=C[C@H](O)CCC[C@@H](C)O)1)(C(C[C@H]1O)=O)CCCCCCC(O)=O 
M  END