Mol:LBF18207HP02


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

27 26  0  0  0  0  0  0  0  0999 V2000 
   4.7459   -1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4606   -1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1750   -1.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4606   -0.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0312   -1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3168   -1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6023   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8879   -1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1759   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4639   -1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2481   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0731   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7876   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6126   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3271   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0391   -1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7510   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4630   -1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1750   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8870   -1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8870   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3271   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6126    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6126    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8981    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6126    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3271    1.2375    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  2  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 
 3 21  1  0 
15 22  1  0 
22 23  1  0 
23 24  1  0 
24 25  1  0 
24 26  1  0 
24 27  1  0 

S SKP 6 ID LBF18207HP02 FORMULA C23H42O4 EXACTMASS 382.30830983199996 AVERAGEMASS 382.57718 SMILES C(C)CCCC(OOC(C)(C)C)C=CC=CCCCCCCCC(=O)OC AUTODRAW FALSE M END