Mol:LBF20406CV02

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

27 28  0  0  0  0  0  0  0  0999 V2000 
  -1.5678   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3084   -0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3084   -1.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0930   -1.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5780   -1.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0930   -0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5678    0.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8558    0.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8558    1.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5239   -2.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8095   -1.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0155   -1.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7300   -2.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4420   -1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1540   -2.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8660   -1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5780   -2.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5219   -2.3656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9386   -2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1521   -3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1417   -2.7354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3479    0.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1413    2.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3129    2.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1333    3.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4689    2.2777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5458    3.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  2  0 
 2  3  1  0 
 3  4  1  0 
 4  5  2  0 
 5  6  1  0 
 6  2  1  0 
 1  7  1  0 
 7  8  2  0 
 8  9  1  0 
10 11  1  0 
11 12  2  0 
12 13  1  0 
 3 10  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
 3 18  1  1 
18 19  1  0 
19 20  1  0 
19 21  2  0 
 6 22  2  0 
 9 23  1  0 
23 24  1  0 
24 25  1  0 
25 26  1  0 
 9 26  1  6 
25 27  2  0 

S SKP 6 ID LBF20406CV02 FORMULA C22H28O5 EXACTMASS 372.193674006 AVERAGEMASS 372.45472000000007 SMILES CC(=O)O[C@@](CC=CCCCCC)(C=2)C(C(C2)=O)=CC=C[C@H](O1)CCC(=O)1 AUTODRAW FALSE M END