Mol:EEL3027


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

52 51  0  0  0  0  0  0  0  0999 V2000 
  -5.8919   -1.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5533   -0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0704    0.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.3952    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.6397    2.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9159    0.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4097    1.7286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7725    2.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0579    2.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3441    2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6298    2.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9153    2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2010    2.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4865    2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2277    2.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9423    2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6566    2.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3710    2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0853    2.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7994    2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.5137    2.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.2282    2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1617    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4474    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7333    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0191    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3048    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5903    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1239    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8385    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5528    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2674    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9816    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6956    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4099    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1245    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8388    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3441    1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4865    1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3710    1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.2282    1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7333   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1239   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9816   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8388   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.9426    2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5533    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9067   -1.6388    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9067   -0.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9067   -2.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9216   -1.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0966   -1.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  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 
48 49  2  0 
48 50  1  0 
48 51  1  0 
51 52  1  0 

A 52 Ino S SKP 6 AUTODRAW FALSE ID EEL3027 FORMULA C44H91O6P EXACTMASS 746.6553271540001 AVERAGEMASS 747.163501 SMILES C(CC(C)C)CC(CCCC(CCCC(C)CCOC(COP(O)(=O)OC)(COCCC(CCCC(CCCC(C)CCCC(C)C)C)C)[H])C)C M END