Mol:LBF20406LT05

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 26  0  0  0  0  0  0  0  0999 V2000 
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    5.4641   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    8.0622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    9.7942    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   11.5263    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  1  1  0  0  0  0 
  3  2  1  0  0  0  0 
  4  3  1  0  0  0  0 
  5  4  1  0  0  0  0 
  6  5  1  0  0  0  0 
  2 24  1  6  0  0  0 
  1  7  2  0  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  2  0  0  0  0 
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 12 25  1  1  0  0  0 
 13 14  1  0  0  0  0 
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 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
  6 26  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 27  1  0  0  0  0 
S  SKP  5 
ID	LBF20406LT05 
FORMULA	C22H37NO4 
EXACTMASS	379.27225867699997 
AVERAGEMASS	379.53352 
SMILES	C(=CC[C@@H](O)C=CC=CC=C[C@H](CCCC(=O)NCCO)O)CCCCC 
M  END