Mol:LBF18203HP03


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

25 25  0  0  0  0  0  0  0  0999 V2000 
  -1.1779   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8898   -0.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6018   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3138   -0.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9896    0.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6484   -0.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3798   -1.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5550   -1.2116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3629   -0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6018    0.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8873    1.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0774   -0.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.7918   -0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3529   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3616   -0.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0761   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7905   -0.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5050   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2195   -0.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9339   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6484   -0.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3629   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0774   -0.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.7918   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3629    0.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  4  1  0 
 6  9  1  0 
 3 10  1  0 
10 11  1  0 
 9 12  2  0 
12 13  1  0 
 1 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 
22 25  2  0 

S SKP 6 ID LBF18203HP03 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES C(O1)(CC(C=CC)O1)C(OO)CC=CCCCCCCCC(=O)OC AUTODRAW FALSE M END