Mol:EEL0005


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

53 52  0  0  0  0  0  0  0  0999 V2000 
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  -6.4479    1.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.6924    2.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  -2.6822    2.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   0.1754    2.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8900    2.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6043    2.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3188    2.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0331    2.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7475    2.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4617    2.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1763    2.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2143    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5000    0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  -0.6426    0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0716    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7862    0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5005    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2152    0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9294    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6437    0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3579    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0726    0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7869    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  -0.5388    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3188    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1763    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7857   -0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0716   -0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9294   -0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7869   -0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8907    2.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5014    0.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7857    0.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9999   -1.6714    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9999   -2.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1749   -1.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9999   -0.8464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3499   -1.6714    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 
25 48  1  0 
 1 49  1  0 
49 50  1  0 
49 51  1  0 
49 52  2  0 
51 53  1  0 

A 53 Ino S SKP 6 AUTODRAW FALSE ID EEL0005 FORMULA C44H91O7P EXACTMASS 762.650241776 AVERAGEMASS 763.162901 SMILES C(CCCC(CCOC(COCCC(CCCC(C)CCCC(C)CCCC(C)C)C)(COP(OC)(O)=O)[H])(C)O)(C)CCCC(CCCC(C)C)C M END