Mol:LBF12103JA01

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

15 15  0  0  0  0  0  0  0  0999 V2000 
  -0.4519   -1.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2626   -0.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9746   -1.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2626   -0.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1964   -0.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1964    0.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9810    0.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4659   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9810   -0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4971    0.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2145    0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0395    0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7539    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4659    0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2351    1.2039    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 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9  5  1  0 
 5  1  1  1 
 6 10  1  1 
11 10  1  0 
11 12  2  0 
12 13  1  0 
13 14  1  0 
 7 15  1  6 

S SKP 6 ID LBF12203JA01 FORMULA C12H20O3 EXACTMASS 212.141244506 AVERAGEMASS 212.28539999999998 SMILES CCC=CCC(C(O)1)C(CC1)CC(O)=O AUTODRAW FALSE M END