Mol:LBF17307HO02

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

20 19  0  0  0  0  0  0  0  0999 V2000 
   4.6882   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4028   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1173   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4028    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9735   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2591   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5446   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7196   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0051   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2906   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4213   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1333   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8453   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5573   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2693   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9813   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6933   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4053   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1173   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5573    0.6159    0.0000 O   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  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  2  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
14 20  1  6 

S SKP 6 ID LBF17307HO02 FORMULA C17H28O3 EXACTMASS 280.203844762 AVERAGEMASS 280.40242 SMILES CCCCC[C@H](O)C=CC=CCC=CCCCC(O)=O AUTODRAW FALSE M END