Mol:LBF20207PG02

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 24  0  0  0  0  0  0  0  0999 V2000 
    4.9641    3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6551    2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2731    2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9641    3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2242    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9673    2.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.6739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.7321   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9184    2.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6615    3.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6126    2.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.3557    3.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3068    3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5519    4.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.5147    2.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.0499    3.8543    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  2  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 
 10 21  1  6  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
  5 22  2  0  0  0  0 
  7 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  4  6  1  0  0  0  0 
  3  8  1  0  0  0  0 
 20 23  1  0  0  0  0 
 20 24  2  0  0  0  0 
S  SKP  5 
ID	LBF20207PG02 
FORMULA	C20H32O4 
EXACTMASS	336.23005951199997 
AVERAGEMASS	336.46567999999996 
SMILES	C(CC[C@@H](O)C=CC(=C1CCCCCCC(O)=O)CCC(=O)1)CC 
M  END