Mol:LBF18207MO01


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

23 22  0  0  0  0  0  0  0  0999 V2000 
   5.1019   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8166    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5310   -0.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8166    1.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3873    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6728   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9583    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2439   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5319    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8199   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1079    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2566   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9711    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6830   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3950    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1070   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8190    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5310   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9711    1.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8199   -0.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5343   -1.2361    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 
15 21  1  0 
10 22  1  0 
22 23  1  0 

S SKP 6 ID LBF18207MO01 FORMULA C19H34O4 EXACTMASS 326.24570957599997 AVERAGEMASS 326.47086 SMILES CCCCCC(O)C=CC=CC(OC)CCCCCCC(O)=O AUTODRAW FALSE M END