Mol:LBF20306CV03

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

27 28  0  0  0  0  0  0  0  0999 V2000 
  -0.7897    0.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5017    0.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2423    0.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2423   -0.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0271   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5120   -0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0271    0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0354    0.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7498    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4619    0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1739    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8859    0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5980    0.7178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8859   -0.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4283   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3089    0.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2820    1.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9245   -0.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3089    0.1063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2423   -1.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7138   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1112   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8256   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5401   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2546   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9691   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6835   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  2  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 1  8  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
12 14  2  0 
15  4  1  0 
13 16  1  0 
 7 17  2  0 
 6 18  1  6 
 5 18  1  6 
 6 19  1  1 
 4 20  1  6 
15 21  1  0 
21 22  2  0 
22 23  1  0 
23 24  1  0 
24 25  1  0 
25 26  1  0 
26 27  1  0 

S SKP 6 ID LBF20306CV03 FORMULA C21H29ClO5 EXACTMASS 396.17035174800003 AVERAGEMASS 396.90466 SMILES C(C=CCCCCC)[C@]([C@@H]12)(O)C(C(=O)[C@@]1(Cl)O2)=CC=CCCCC(OC)=O AUTODRAW FALSE M END