Mol:FL3FEAGS0012
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-0.7356 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7356 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 -1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6664 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6664 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 -1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0687 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0687 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 0.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7695 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4840 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1984 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1984 0.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4840 1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7695 0.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4365 0.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9128 1.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 -2.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4352 -1.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2454 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6845 -2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8766 -1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0971 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6635 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4887 -1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9128 -1.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3731 -2.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3103 -2.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9388 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2551 -0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4721 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2551 1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9388 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7219 1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6457 2.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 1.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 1.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6385 0.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 21 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 18 1 0 0 0 0
S SKP 5
ID FL3FEAGS0012
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c1)(ccc(C(O2)=CC(c(c(O)3)c2cc(OC(C5O)OC(C)C(C5O)O)c3OC(C4O)OCC(C4O)O)=O)c1)O
M END
</pre>
