Mol:LBF21107HP01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 29  0  0  1  0  0  0  0  0999 V2000 
   -2.4014   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9505   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1391   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3023   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5227   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8916   -0.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2507    0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1042    0.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6549    0.4278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7015    0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3990   -0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1222    0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5478   -0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3990   -0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8840    0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3096   -0.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3096    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8840    1.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9949   -1.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4204   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2717   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6972   -0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7014    0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4386    0.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4014    0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6641    0.7799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9505   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1391   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3023   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1 27  1  4  0  0  0 
  2 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  4  0  0  0 
  7  6  1  4  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  5  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 14 13  1  4  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 15 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 11 22  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 10 23  1  4  0  0  0 
 23 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
  2 27  2  0  0  0  0 
  3 28  2  0  0  0  0 
  4 29  2  0  0  0  0 
S  SKP  5 
ID	LBF21107HP01 
FORMULA	C21H34O8 
EXACTMASS	414.225368064 
AVERAGEMASS	414.48986 
SMILES	C(CCC(OO)C=CC=CC=CC(C1)OOC1C(OO)CCCC(OC)=O)CC 
M  END