Mol:EEL0003


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

48 47  0  0  0  0  0  0  0  0999 V2000 
  -7.5801   -0.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.6885   -0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0774   -0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4664    0.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.8070    1.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8907   -0.3887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0801    0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6672    1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0328    1.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3185    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6041    1.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8895    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1751    1.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5393    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2537    1.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9683    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6828    1.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3971    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1115    1.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.8260    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.5404    1.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.2550    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0565   -0.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4221   -0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7077   -0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9933   -0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2789   -0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4355   -0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1499   -0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8645   -0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5790   -0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2935   -0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0078   -0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.7222   -0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4366   -0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1513   -0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8656   -0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3185    0.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5393    0.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3971    0.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.2550    0.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7077   -1.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1499   -1.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0078   -1.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8656   -1.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.9694    1.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.5801   -0.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.6306   -0.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 3  7  1  0 
 3  6  1  0 
 8  5  1  0 
 9  8  1  0 
10  9  1  0 
11 10  1  0 
12 11  1  0 
13 12  1  0 
14 13  1  0 
15 14  1  0 
16 15  1  0 
17 16  1  0 
18 17  1  0 
19 18  1  0 
20 19  1  0 
21 20  1  0 
22 21  1  0 
24 23  1  0 
25 24  1  0 
26 25  1  0 
27 26  1  0 
28 27  1  0 
29 28  1  0 
30 29  1  0 
31 30  1  0 
32 31  1  0 
33 32  1  0 
34 33  1  0 
35 34  1  0 
36 35  1  0 
37 36  1  0 
 6 23  1  0 
10 38  1  0 
14 39  1  0 
18 40  1  0 
22 41  1  0 
25 42  1  0 
29 43  1  0 
33 44  1  0 
37 45  1  0 
22 46  1  0 
37 47  1  0 
 1 48  1  0 
 2 48  1  0 

A 1 G^lc S SKP 6 ID EEL0003 FORMULA C44H90O3 EXACTMASS 666.688996746 AVERAGEMASS 667.1836000000001 SMILES CC(CCCC(C)CCCC(C)CCCC(C)C)CCOCC([H])(OCCC(C)CCCC(C)CCCC(CCCC(C)C)C)COC AUTODRAW FALSE M END