Mol:EEL3003: Difference between revisions

(New page: Copyright: ARM project http://www.metabolome.jp/ 57 56 0 0 0 0 0 0 0 0999 V2000 -7.3124 -2.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7816 -1.4132 ...)
 
m (Yoshimoto moved page Mol:LBGAAB0N03 to Mol:EEL3003)
 
(One intermediate revision by the same user not shown)
(No difference)

Latest revision as of 02:54, 11 July 2013


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

57 56  0  0  0  0  0  0  0  0999 V2000 
  -7.3124   -2.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.7816   -1.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.3627   -0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.8318    0.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.4128    0.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5767   -1.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.6059   -0.1565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.3533    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.6387    0.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9244    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2100    0.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4955    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7812    0.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0667    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3523    0.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6377    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0767    0.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7910    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5054    0.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2199    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9343    0.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6488    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7425   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0280   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3136   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5993   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8850   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1705   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4561   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7415   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0271   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6874   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4017   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1161   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8305   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5451   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2594   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9244    2.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0667    2.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7910    2.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6488    2.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3136    0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4561    0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4017    0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2594    0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3632    0.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9739   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0777    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7922    0.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5066    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.2211    0.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5066    2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.6884   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4029   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.1174   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.8318   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   7.1174    0.2444    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 
46 48  1  0 
48 49  1  0 
49 50  1  0 
50 51  1  0 
50 52  1  0 
47 53  1  0 
53 54  1  0 
54 55  1  0 
55 56  1  0 
55 57  1  0 

S SKP 6 AUTODRAW FALSE ID EEL3003 FORMULA C53H108O3 EXACTMASS 792.829847322 AVERAGEMASS 793.42282 SMILES C(CC(CCOCC(OCCC(C)CCCC(CCCC(C)CCCC(CCCC(C)C)C)C)([H])CO)C)CC(C)CCCC(CCCC(CCCC(C)C)C)C M END