Mol:EEL0141

(Redirected from Mol:LBGADB0N02)


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

94 95  0  0  0  0  0  0  0  0999 V2000 
 -11.5130    0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -10.6037    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.8895    1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.1751    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -8.4605    1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.7461    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.0319    1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.3175    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.6029    1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.8885    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1742    1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4597    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7454    1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0310    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3164    1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -10.6412   -1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -10.0068   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.2924   -1.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -8.5780   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.8635   -1.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.1493   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3710   -1.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6566   -0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9423   -1.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2277   -0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5134   -1.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.8895    0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.0319    0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1742    0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3164    0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -9.2924   -2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3710   -2.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5134   -2.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6021    1.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2012   -0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  12.9662    0.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  13.3553   -0.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  12.6962   -1.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  11.7797    0.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  11.5565   -0.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  10.9222   -1.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  10.2078   -1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   9.4935   -1.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   8.7788   -1.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   8.0645   -1.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.3502   -1.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.6359   -1.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.9213   -1.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.2070   -1.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4926   -1.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7782   -1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0637   -1.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3494   -1.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6348   -1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  10.9454    1.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  10.3111    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   9.5966    1.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   8.8823    0.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   8.1677    1.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.4537    0.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6890    1.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9747    0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2602    1.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5456    0.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8313    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  10.2077   -0.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.3500   -0.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4925   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1327    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   9.5964    2.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6888    2.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8311    2.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9205   -1.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1168    0.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.3486   -2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.3486   -1.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1357   -0.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4228    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.9065    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.6218    1.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.6416   -0.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.8660   -1.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1917    1.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.6078    2.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -12.9815   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -13.3715    0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -12.7130    1.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 -11.7949   -0.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 -13.4815   -1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 -13.1631   -2.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  13.4815    1.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  13.1811    1.9954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  12.4510   -0.0616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
 -12.4817   -0.0898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
 2  1  1  0 
 3  2  1  0 
 4  3  1  0 
 5  4  1  0 
 6  5  1  0 
 7  6  1  0 
 8  7  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 
17 16  1  0 
18 17  1  0 
19 18  1  0 
20 19  1  0 
21 20  1  0 
23 22  1  0 
24 23  1  0 
25 24  1  0 
26 25  1  0 
 3 27  1  0 
 7 28  1  0 
11 29  1  0 
15 30  1  0 
18 31  1  0 
22 32  1  0 
26 33  1  0 
15 34  1  0 
26 35  1  0 
36 37  1  0 
37 38  1  0 
36 39  1  0 
40 38  1  0 
41 40  1  0 
42 41  1  0 
43 42  1  0 
44 43  1  0 
45 44  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 
56 55  1  0 
57 56  1  0 
58 57  1  0 
59 58  1  0 
60 59  1  0 
62 61  1  0 
63 62  1  0 
64 63  1  0 
65 64  1  0 
39 55  1  0 
42 66  1  0 
46 67  1  0 
50 68  1  0 
54 69  1  0 
57 70  1  0 
61 71  1  0 
65 72  1  0 
54 73  1  0 
65 74  1  0 
34 74  1  0 
35 73  1  0 
75 76  1  0 
21 76  1  0 
22 77  1  0 
79 80  1  0 
61 78  1  0 
60 80  1  0 
76 81  1  0 
77 82  1  0 
82 81  1  0 
79 83  1  0 
83 78  1  0 
80 84  1  0 
85 86  1  0 
86 87  1  0 
85 88  1  0 
16 88  1  0 
 1 87  1  0 
85 89  1  0 
89 90  1  0 
36 91  1  0 
91 92  1  0 
36 93  1  0 
85 94  1  0 
69 64  1  0 

S SKP 6 AUTODRAW FALSE ID EEL0141 FORMULA C86H170O6 EXACTMASS 1299.299743172 AVERAGEMASS 1300.2664 SMILES C(C2)CC(C)CCCC(C)CCOCC([H])(OCCC(CCCC(C)CCCC(CCC(C1)C(C)CCC(C)CCCC(CCCC(CCCC(CCOCC(CO)(OCCC(C)CCCC(CCCC(CCCC(CCC(CCCC2C)1)C)C)C)[H])C)C)C)C)C)CO M END