Mol:LBF18304HP02

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LBF18304HP02.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 24  0  0  1  0  0  0  0  0999 V2000
   -3.1492    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3477    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5511    1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2601    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713    1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713    2.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568    2.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115   -2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3336    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3336    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6191    0.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492    2.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3477    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5511    1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2601    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 23 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  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
 13 14  1  0  0  0  0
 15 14  1  4  0  0  0
  2 16  1  0  0  0  0
 16  3  1  4  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5 25  2  0  0  0  0
S  SKP  5
ID	LBF18304HP02
FORMULA	C19H32O6
EXACTMASS	356.219888756
AVERAGEMASS	356.45378
SMILES	COC(=O)CCCCCCCC(OO)C=CC=CC=CC(CC)OO
M  END

</pre>

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