Mol:LBF22111SC01


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   1.8377    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5524    0.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2668    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1231    0.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4086    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3034    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9788    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6908    0.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9789    1.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0154    0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7274    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4393    0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1513    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9763    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6908    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6908   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9763   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2619   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5499   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8379   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1259   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4139   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2981   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0101   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  4  1  0 
 4  5  1  0 
 5  6  1  0 
 3  7  1  0 
 7  8  1  0 
 7  9  2  0 
 6 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
23 24  1  0 

S SKP 6 ID LBF22111SC01 FORMULA C22H42O2 EXACTMASS 338.318480588 AVERAGEMASS 338.56768000000005 SMILES C(CCC(O)=O)CCCCCCC=CCCCCCCCCCC AUTODRAW FALSE M END