Mol:LBF18207OX01

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

21 20  0  0  0  0  0  0  0  0999 V2000 
   5.1019   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8166   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5310   -0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8166    0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3873   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6728   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9583   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2439   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5319   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8199   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1079   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2566   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9711   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6830   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3950   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1070   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8190   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5310   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9711    0.6152    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  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
15 21  2  0 

S SKP 6 ID LBF18207OX01 FORMULA C18H30O3 EXACTMASS 294.21949482599996 AVERAGEMASS 294.429 SMILES CCCCCC(=O)C=CC=CCCCCCCCC(O)=O AUTODRAW FALSE M END