Mol:LBF21503HO01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 24  0  0  1  0  0  0  0  0999 V2000 
   -3.9520   -0.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1210   -0.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5729   -0.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9410    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1810   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3500   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2041   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8640    0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5000   -0.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7909   -0.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6198   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5762   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5762   -1.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5469   -1.8114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1647    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7252   -0.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2305   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7909   -1.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7909    0.8406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2305    1.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3885    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9585    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2535    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0115    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2073    0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 21  2  1  0  0  0  0 
  2 22  1  0  0  0  0 
  3  4  1  0  0  0  0 
 23  6  1  0  0  0  0 
  6 24  1  0  0  0  0 
  7  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  4  5  1  0  0  0  0 
 12  8  1  4  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 16 15  1  4  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 17 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  1 21  2  0  0  0  0 
  3 22  2  0  0  0  0 
  5 23  2  0  0  0  0 
  7 24  2  0  0  0  0 
 11 25  2  0  0  0  0 
 25 12  1  0  0  0  0 
 15 11  1  0  0  0  0 
S  SKP  5 
ID	LBF21503HO01 
FORMULA	C21H32O4 
EXACTMASS	348.23005951199997 
AVERAGEMASS	348.47637999999995 
SMILES	C(CC=CCC=CCC=CCC(OO)C=CCCC(OC)=O)=CCC 
M  END