Mol:LBF20307PG04

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

25 25  0  0  0  0  0  0  0  0999 V2000 
  -0.8326    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5447    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2853    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2853   -0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0701   -0.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5550    0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0701    0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4850   -0.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7729   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0609   -0.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7068    1.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4189    0.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1309    1.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8430    0.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5550    1.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8430   -0.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6511   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3631   -0.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0609   -1.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3250    1.6084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0776   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7920   -0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5065   -0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7919   -1.6084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  2  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  0 
 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 
10 20  1  6 
 7 21  2  0 
19 22  1  0 
22 23  1  0 
23 24  1  0 
23 25  1  0 

S SKP 6 ID LBF20307PG04 FORMULA C20H30O5 EXACTMASS 350.20932407 AVERAGEMASS 350.4492 SMILES O[C@H](CCC[C@H](C)O)C=CC(=C1CC=CCCCC(O)=O)CCC(=O)1 AUTODRAW FALSE M END