Mol:LBF20207PG77

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

32 32  0  0  0  0  0  0  0  0999 V2000 
  -0.2367    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9514    1.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6944    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6944    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4819   -0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9685    0.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4819    1.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8708   -0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1563    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5582   -0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5911    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3080    1.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0225    1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7369    1.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4512    1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1657    1.4467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2727    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9871   -0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7016    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4133   -0.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1254    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7369    2.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7368   -0.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4512    0.2092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5582   -1.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4513   -1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4513   -2.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1657   -0.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7016    0.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9871    0.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2727    0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9871    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 
19 29  1  0 
29 30  1  0 
30 31  1  0 
30 32  2  0 

S SKP 6 ID LBF20207PG77 FORMULA C24H38O8 EXACTMASS 454.256668192 AVERAGEMASS 454.55372 SMILES CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@H](OC(C)=O)C[C@@H]1O)O)CC AUTODRAW FALSE M END