Mol:LBF18403SC05

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

20 19  0  0  0  0  0  0  0  0999 V2000 
   4.9864   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7011   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4155   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7011    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2718   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5573   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8428   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1284   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4164   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7044   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2795   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9915   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7035   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4155   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  2  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  2  0 
16 17  1  0 
17 18  2  0 
18 19  1  0 
19 20  1  0

S SKP 6 ID LBF18403SC05 FORMULA C18H28O2 EXACTMASS 276.20893014 AVERAGEMASS 276.41372 SMILES CCC=CC=CC=CC=CCCCCCCCC(O)=O AUTODRAW FALSE M END

Mol:LBF18403SC05

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