Mol:LBF18205HP01

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LBF18205HP01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 25  0  0  1  0  0  0  0  0999 V2000
   -4.1939    2.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303    2.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0558    2.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5719    2.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379    1.5968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8699    1.5968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6359    2.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7245    2.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005    2.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6815    1.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380    0.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6815   -0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005   -1.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6815   -1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4030   -2.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0565    2.4366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885    2.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -1.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1939   -2.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1939   -0.8864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7505   -0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    1.9496    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  0  0  0  0
  4  5  1  4  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  4  0  0  0
 11 10  1  4  0  0  0
 11 12  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
  3 19  1  4  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 12  1  0  0  0  0
S  SKP  5
ID	LBF18205HP01
FORMULA	C19H34O6
EXACTMASS	358.23553882
AVERAGEMASS	358.46966000000003
SMILES	COC(=O)CCCCCCCCCCC(C=1)OOC(C1)C(CC)OO
M  END

</pre>

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