Mol:LBF20207PG74

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

27 27  0  0  0  0  0  0  0  0999 V2000 
  -0.8354    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5500    0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2931    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2931   -0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0804   -0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5670    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0804    0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4694   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7550   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0405   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7092    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4237    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1382    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8525    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5670    0.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8525   -0.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6739   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3883   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1029   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8146   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5268   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3354    1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0405   -1.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0905    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2573    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3352   -1.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  6 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  1 
 8  9  2  0 
 9 10  1  0 
 1 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
15 17  2  0 
10 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
 7 23  2  0 
10 24  1  6 
18 25  1  0 
18 26  1  0 
 5 27  1  6 

S SKP 6 ID LBF20207PG74 FORMULA C23H38O4 EXACTMASS 378.27700970399997 AVERAGEMASS 378.54542 SMILES C(C(C)(C)[C@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=C)1)O)O)CCC AUTODRAW FALSE M END