Mol:LBF12203JA01

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LBF12203JA01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 15 15  0  0  1  0  0  0  0  0999 V2000
   -2.2536   -0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286   -0.8401    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1742   -0.0564    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8425    0.4276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5108   -0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425    1.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4592    0.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2558   -0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0808   -0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958    0.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5108   -0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7136   -1.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014   -0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014   -0.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7159   -1.2526    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
  1  5  1  0  0  0  0
  4  6  1  6  0  0  0
  3  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
S  SKP  5
ID	LBF12203JA01
FORMULA	C12H20O3
EXACTMASS	212.141244506
AVERAGEMASS	212.28539999999998
SMILES	CCC=CCC(C(O)1)C(CC1)CC(O)=O
M  END

</pre>

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