Mol:LBF16102PG01

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

22 22  0  0  0  0  0  0  0  0999 V2000 
  -1.5077    0.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2222    0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9940    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9940   -0.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7814   -0.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2677   -0.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7814    0.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1623   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4478   -0.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7336   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0191   -0.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6954   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4099   -0.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1243   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8388   -0.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0364   -1.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0364    1.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7933    0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7933    1.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5533   -1.0843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8388    0.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2677   -0.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  2  0 
 3  2  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  0 
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 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
 5 16  2  0 
 7 17  1  0 
 1 18  1  0 
18 19  2  0 
15 20  1  0 
15 21  2  0 
20 22  1  0

S SKP 6 ID LBF16102PG01 FORMULA C17H26O5 EXACTMASS 310.178023942 AVERAGEMASS 310.38534 SMILES O=CC=CC(C(O)1)C(CCCCCCCC(=O)OC)C(=O)C1 AUTODRAW FALSE M END

Mol:LBF16102PG01

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