Mol:LBF21307PG09

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 26  0  0  0  0  0  0  0  0999 V2000 
    9.2937    3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9847    2.4139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.7937    1.8261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   10.6028    2.4139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   10.2937    3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7937    0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0337    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2905    2.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3395    2.4650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.3884    2.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6453    2.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6942    2.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511    3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6598    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6598   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5258   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5258   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3918   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3918   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0304    3.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7059    4.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5538    2.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6485    1.5139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5258   -4.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.2578   -4.1739    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  1  1  0  0  0  0 
  1 22  2  0  0  0  0 
  4 23  1  6  0  0  0 
  3  6  1  6  0  0  0 
  7  8  2  0  0  0  0 
  8  9  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 
 13 14  1  0  0  0  0 
  6 15  1  0  0  0  0 
 15 16  2  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 
  2  7  1  1  0  0  0 
  9 24  1  1  0  0  0 
  9 21  1  6  0  0  0 
 20 25  1  0  0  0  0 
 20 26  2  0  0  0  0 
S  SKP  5 
ID	LBF21307PG09 
FORMULA	C21H34O5 
EXACTMASS	366.240624198 
AVERAGEMASS	366.49166 
SMILES	C(=C[C@H]([C@H]1CC=CCCCC(O)=O)C(C[C@@H]1O)=O)[C@](C)(O)CCCCC 
M  END