Mol:LBF18306HO02

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

21 20  0  0  0  0  0  0  0  0999 V2000 
   5.3424   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0571   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.7715   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0571    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6278   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9133   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1988   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4844   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7724   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0604   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3484   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3636   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0756   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7876   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4996   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2116   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9236   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6355   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3475   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0595   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.7715   -0.2077    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  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  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 

S SKP 6 ID LBF18306HO02 FORMULA C18H30O3 EXACTMASS 294.21949482599996 AVERAGEMASS 294.429 SMILES OCCCCC=CC=CC=CCCCCCCCC(O)=O AUTODRAW FALSE M END