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Mol:FL5FAAGL0003 - Revision history
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<p><b>New page</b></p><div><pre><br />
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Copyright: ARM project http://www.metabolome.jp/<br />
41 45 0 0 0 0 0 0 0 0999 V2000<br />
-3.1751 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.1751 1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.4607 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.7463 1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.7463 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.4607 2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0319 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.3174 1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.3174 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0319 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0319 0.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.3967 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1249 2.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8531 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8531 3.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1249 3.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.3967 3.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.4607 0.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.8893 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.5810 3.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.2069 -1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.0137 -2.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7577 -1.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.0137 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.2069 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.4628 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.5551 0.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.9470 0.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.3013 -1.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.0137 -2.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.4176 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.9782 0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.9682 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.5251 1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.4732 1.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.0012 1.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.9682 1.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.9682 -0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.8893 -0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.5301 -3.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.2793 -3.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 1 0 0 0 0<br />
2 3 2 0 0 0 0<br />
3 4 1 0 0 0 0<br />
4 5 2 0 0 0 0<br />
5 6 1 0 0 0 0<br />
6 1 2 0 0 0 0<br />
4 7 1 0 0 0 0<br />
7 8 1 0 0 0 0<br />
8 9 2 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 5 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
9 12 1 0 0 0 0<br />
12 13 2 0 0 0 0<br />
13 14 1 0 0 0 0<br />
14 15 2 0 0 0 0<br />
15 16 1 0 0 0 0<br />
16 17 2 0 0 0 0<br />
17 12 1 0 0 0 0<br />
3 18 1 0 0 0 0<br />
1 19 1 0 0 0 0<br />
15 20 1 0 0 0 0<br />
22 21 1 1 0 0 0<br />
22 23 1 0 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 26 1 1 0 0 0<br />
26 21 1 1 0 0 0<br />
25 27 1 0 0 0 0<br />
24 28 1 0 0 0 0<br />
23 29 1 0 0 0 0<br />
22 30 1 0 0 0 0<br />
27 8 1 0 0 0 0<br />
31 32 1 1 0 0 0<br />
32 33 1 1 0 0 0<br />
34 33 1 1 0 0 0<br />
34 35 1 0 0 0 0<br />
35 31 1 0 0 0 0<br />
32 36 1 0 0 0 0<br />
28 31 1 0 0 0 0<br />
33 37 1 0 0 0 0<br />
38 39 1 0 0 0 0<br />
33 38 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
21 40 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 38 39<br />
M SBL 1 1 43<br />
M SMT 1 CH2OH<br />
M SBV 1 43 0.0000 0.7040<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 45<br />
M SMT 2 CH2OH<br />
M SBV 2 45 -0.3232 1.2062<br />
S SKP 5<br />
ID FL5FAAGL0003<br />
FORMULA C26H28O15<br />
EXACTMASS 580.1428202259999<br />
AVERAGEMASS 580.49152<br />
SMILES c(O2)(c(C(C(OC(O5)C(C(O)C(C(CO)5)O)OC(C(O)4)OCC4(O)CO)=C2c(c3)ccc(c3)O)=O)1)cc(O)cc1O<br />
M END<br />
</pre></div>
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