Mol:EEL0252


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

74 74  0  0  0  0  0  0  0  0999 V2000 
 -10.9324    2.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 -11.4015    1.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -10.9827    0.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -11.4517    0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -11.0328   -0.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 -10.1965    1.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 -10.2257    0.3233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.9731   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.2325   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -8.5181   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.8038   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.0894   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.3750   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.6605   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9460   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2319   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5174   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8031   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0886   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3742   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6598   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.3625    0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -8.6219    1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.9076    0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.1932    1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4788    0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7643    1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0497    0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3355    1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6211    0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9069    1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1924    0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4779    1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7636    0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3742   -2.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7636   -0.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  10.9324   -2.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  11.4015   -1.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  10.9827   -0.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  11.4517   -0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  11.0328    0.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  10.1965   -1.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  10.2257   -0.3233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   9.9731    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   9.2325    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   8.5181    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.8038    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.0894    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.3750    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.6605    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9460    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2319    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5174    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8031    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0886    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3742    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1512    1.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   9.3625   -0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   8.6219   -1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.9076   -0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.1932   -1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4788   -0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7643   -1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0497   -0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3355   -1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6211   -0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9069   -1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1924   -0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4779   -1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7635   -0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3742    2.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7635    0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0547   -1.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5633    0.7453    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 
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 
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 
 6 22  1  0 
20 35  1  0 
34 36  1  0 
37 38  1  0 
38 39  1  0 
39 40  1  0 
40 41  1  0 
39 43  1  0 
39 42  1  0 
44 41  1  0 
46 45  1  0 
47 46  1  0 
48 47  1  0 
49 48  1  0 
50 49  1  0 
51 50  1  0 
52 51  1  0 
53 52  1  0 
54 53  1  0 
55 54  1  0 
56 55  1  0 
60 59  1  0 
61 60  1  0 
62 61  1  0 
63 62  1  0 
64 63  1  0 
65 64  1  0 
66 65  1  0 
67 66  1  0 
68 67  1  0 
69 68  1  0 
70 69  1  0 
42 58  1  0 
56 71  1  0 
70 72  1  0 
34 57  1  0 
21 73  1  0 
57 74  1  0 
70 73  1  0 
56 74  1  0 
58 59  1  0 
44 45  1  0 
 8  9  1  0 
22 23  1  0 

S SKP 6 AUTODRAW FALSE ID EEL0252 FORMULA C66H132O6 EXACTMASS 1021.0023919560001 AVERAGEMASS 1021.75068 SMILES C(C1)CCCCCCCOC(CO)([H])COCCCCCCCCCCCCC(CCC(C)CCCCCCCCCCCCOC(CO)([H])COCCCCCCCCCCCCC(CCC(C)CCC1)C)C M END