Mol:LBF18303HP06


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

25 24  0  0  0  0  0  0  0  0999 V2000 
   4.6885   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4033    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1177   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4033    1.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9738    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2593   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5448    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8303   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1183    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4062   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3058    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0179   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7299    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4420   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1541    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8661   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5806    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4056    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1202   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8322    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0179   -0.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4420   -0.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3033   -1.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1566   -1.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8322    0.4125    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  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  2  0 
16 17  1  0 
17 18  2  0 
18 19  1  0 
19 20  1  0 
12 21  1  0 
14 22  1  0 
21 23  1  0 
22 24  1  0 
 3 25  1  0 

S SKP 6 ID LBF18303HP06 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES CCC=CC=CC(OO)CC(OO)C=CCCCCCCC(=O)OC AUTODRAW FALSE M END