Mol:LBF18107EO02

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LBF18107EO02.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 22  0  0  1  0  0  0  0  0999 V2000
   -4.1658    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9921    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3280    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9863    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8421    2.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5547    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1422    1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3173    1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9048    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337    1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337   -1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212   -2.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1658    2.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1658    1.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  2  0  0  0  0
  4  7  1  4  0  0  0
  5  7  1  4  0  0  0
  1  8  1  0  0  0  0
  2 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  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
 18 17  1  4  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  3 22  2  0  0  0  0
S  SKP  5
ID	LBF18107EO02
FORMULA	C18H30O4
EXACTMASS	310.21440944799997
AVERAGEMASS	310.4284
SMILES	C(C(C=CC(=O)CCCCC)1)(CCCCCCCC(O)=O)O1
M  END

</pre>

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