Mol:LBF237nnPG01

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LBF237nnPG01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 29  0  0  0  0  0  0  0  0999 V2000
    3.5827   -0.5418    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4781    0.4527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.2213    1.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0134    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.5418    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3147   -3.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3147   -5.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -6.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -7.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -6.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -5.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933    1.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612   -1.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7780    5.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6191    7.0418    0.0000 O   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  0  0  0  0
  5  1  1  0  0  0  0
  3 24  2  0  0  0  0
  2  6  1  6  0  0  0
  1  7  1  1  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  2  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
 10 25  1  6  0  0  0
  5 26  1  6  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 16 27  2  0  0  0  0
 16 28  1  0  0  0  0
S  SKP  5
ID	LBF237nnPG01
FORMULA	C23H30O5
EXACTMASS	386.20932407
AVERAGEMASS	386.48130000000003
SMILES	C(c(c2)cccc2)C[C@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=O)1)O)O
M  END

</pre>

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