Mol:LBF21503HO03

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LBF21503HO03.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 24  0  0  1  0  0  0  0  0999 V2000
   -3.8349   -0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0099   -0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1053   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4797   -1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5924   -1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6845   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4814    0.0845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407    0.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6845    1.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2346   -1.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0020    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6270    0.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1420    0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9205    0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4055   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21  2  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
 23  6  1  0  0  0  0
 25 24  1  4  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  4  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 18  1  0  0  0  0
 18  7  1  4  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  2  0  0  0  0
  3 22  2  0  0  0  0
  5 23  2  0  0  0  0
  7 24  2  0  0  0  0
  8 25  2  0  0  0  0
S  SKP  5
ID	LBF21503HO03
FORMULA	C21H32O4
EXACTMASS	348.23005951199997
AVERAGEMASS	348.47637999999995
SMILES	C(CC=CCC=CCC(OO)C=CC=CCCCC(OC)=O)=CCC
M  END

</pre>

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