Mol:LBF18203HP01


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

25 25  0  0  0  0  0  0  0  0999 V2000 
   4.7037   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4183   -0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1328   -0.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4183    0.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9890   -0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2746   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5601   -0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8456   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1336   -0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4217   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2903   -0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0023   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8448   -0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2903    0.8106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6781    0.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3370   -0.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0684   -1.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2435   -1.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4241    1.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0514   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8764   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5909   -0.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4159   -0.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1304   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8448   -0.4430    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  2  0 
21 22  1  0 
22 23  2  0 
23 24  1  0 
24 25  1  0 

S SKP 6 ID LBF18203HP01 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES C(O1)(CC(C=CC=CCC)O1)C(OO)CCCCCCCC(=O)OC AUTODRAW FALSE M END