Mol:LBF18000BC07

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LBF18000BC07.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 21  0  0  1  0  0  0  0  0999 V2000
   -3.6238    2.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4908    2.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7043    2.4993    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7043    1.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349    2.4993    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7349    1.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2113    2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6238    3.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6238    1.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6754    2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0879    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9129    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037    2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3912    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3912    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3912   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3912   -2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  4  0  0  0
  5  6  1  4  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
  5 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
S  SKP  5
ID	LBF18000BC07
FORMULA	C20H40O2
EXACTMASS	312.302830524
AVERAGEMASS	312.53040000000004
SMILES	C(C(CCCCCCCCCC(CCCCC(O)=O)C)C)C
M  END

</pre>

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