Mol:LBF18102HP01


Copyright: ARM project http://www.metabolome.jp/

27 28  0  0  0  0  0  0  0  0999 V2000 
   4.6014   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3160   -0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0305   -0.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3160    0.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8867   -0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1723   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4578   -0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7433   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0313   -0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3194   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3926   -0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1046   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.7425   -0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3926    0.8106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7804    0.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4393   -0.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1707   -1.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3458   -1.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3218    1.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2643   -0.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9317   -0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5991   -0.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3442    0.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5192    0.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3136   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0281   -0.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.7425   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
 3 13  1  0 
11 14  1  0 
12 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 12  1  0 
14 19  1  0 
16 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
23 24  1  0 
24 20  1  0 
22 25  1  0 
25 26  2  0 
26 27  1  0 

S SKP 6 ID LBF18102HP01 FORMULA C19H32O8 EXACTMASS 388.20971799999995 AVERAGEMASS 388.45258 SMILES C(O1)(C(OO)CCCCCCCC(=O)OC)CC(C(O2)CC(C=CC)O2)O1 AUTODRAW FALSE M END