Mol:LBF20503HP08


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   2.0698   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7845    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4989   -0.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7845    1.0223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3552    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6407   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0713    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8963    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6108   -0.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3253    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1503    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6377   -0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1216   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2966   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5822   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8677   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0427   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6718   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3863   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2113   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9257   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6377   -1.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0713    1.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6432    1.4334    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  2  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  2  0 
20 21  1  0 
21 22  1  0 
 7 23  1  1 
23 24  1  0 

S SKP 6 ID LBF20503HP08 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C(CC=CCC=CCC=CC=CC(OO)CCCC(O)=O)=CCC AUTODRAW FALSE M END