Mol:LBF12102PG01

Copyright: ARM project http://www.metabolome.jp/

18 18  0  0  0  0  0  0  0  0999 V2000 
   2.0612    0.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3468    0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6323    0.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0797    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7917    0.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5037    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5037   -0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2883   -0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7732    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2883    0.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7892   -0.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0772   -0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6348   -0.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3468   -0.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5424    1.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5424   -1.3504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6348   -1.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7732    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10  6  1  0 
 7 11  1  0 
11 12  2  0 
12 13  1  0 
 2 14  2  0 
10 15  2  0 
 8 16  1  0 
13 17  2  0 
 1 18  1  0

S SKP 6 ID LBF12102PG01 FORMULA C13H18O5 EXACTMASS 254.11542368599999 AVERAGEMASS 254.27902 SMILES O=CC=CC(C(O)1)C(CCCC(=O)OC)C(=O)C1 AUTODRAW FALSE M END

Mol:LBF12102PG01

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