Mol:LBF20207PG78

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

33 33  0  0  0  0  0  0  0  0999 V2000 
  -0.5939    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3086    1.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0516    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0516    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8391   -0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3257    0.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8391    1.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2280   -0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5135    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2010   -0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2339    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9508    1.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6653    1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3797    1.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0940    1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8085    1.4467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9155    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6299   -0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3444    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0561   -0.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7682    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0941    2.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0940   -0.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0940    0.2092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2010   -1.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8085   -1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8085   -2.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5229   -0.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.5229    1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3444    0.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6299    0.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9154    0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6299    0.0510    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 
10 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
 7 22  1  6 
 5 23  1  6 
15 24  2  0 
10 25  1  6 
23 26  1  0 
26 27  2  0 
26 28  1  0 
16 29  1  0 
19 30  1  0 
30 31  1  0 
31 32  1  0 
31 33  2  0 

S SKP 6 ID LBF20207PG78 FORMULA C25H40O8 EXACTMASS 468.27231825599995 AVERAGEMASS 468.5803 SMILES CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(OC)=O)[C@H](OC(C)=O)C[C@@H]1O)O)CC AUTODRAW FALSE M END