Mol:LBF20307TX01

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LBF20307TX01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 26  0  0  0  0  0  0  0  0999 V2000
    6.1357    5.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6187    3.4594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 21  1  0  0  0  0
  3 21  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  6  0  0  0
  5 22  1  6  0  0  0
  2 22  1  6  0  0  0
  7 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
 14 15  1  0  0  0  0
  8 16  2  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
 10 23  1  6  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
S  SKP  5
ID	LBF20307TX01
FORMULA	C20H32O5
EXACTMASS	352.224974134
AVERAGEMASS	352.46508
SMILES	C(CC[C@@H](O)C=C[C@H]([C@@H](CC=CCCCC(O)=O)1)O[C@H](C2)O[C@@H]12)CC
M  END

</pre>

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