Mol:LBF20406LT03

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

24 23  0  0  0  0  0  0  0  0999 V2000 
   3.2617   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9764    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6908   -0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9764    1.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5470    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8326   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1206    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4086   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4164   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1309    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8428    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5548    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2668    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9788    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6908    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6908   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9763   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2619   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5474   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8329   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1185   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4040   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1206    1.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9788    1.2310    0.0000 O   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  2  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  2  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
 7 23  1  1 
14 24  2  0 

S SKP 6 ID LBF20406LT03 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C(CC=CCC(C=CC=CC=C[C@H](CCCC(O)=O)O)=O)CCC AUTODRAW FALSE M END