Mol:LBF18108HP01


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

23 23  0  0  0  0  0  0  0  0999 V2000 
   5.0454   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7601   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4745   -0.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7601    0.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3307   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6163   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9018   -0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1874   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4754   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7634   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0514   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6606   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4856   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2001   -0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9146   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6265   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3385   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0505   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7625   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4745   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0514    0.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7658    0.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9146    0.0021    0.0000 O   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 
12 13  2  0 
13 14  1  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 
11 21  1  0 
21 22  1  0 
14 23  1  0 
23 15  1  0 

S SKP 6 ID LBF18108HP01 FORMULA C18H32O5 EXACTMASS 328.224974134 AVERAGEMASS 328.44368000000003 SMILES C(C(C=CC(OO)CCCCCCCC(O)=O)1)(CCCCC)O1 AUTODRAW FALSE M END