Mol:FL5FAAGL0106
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
-1.3225 0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6080 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6080 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3225 1.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0370 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0370 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1064 0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8209 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8209 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1064 1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3002 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0054 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0054 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3002 2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5446 2.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1064 -0.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3225 -0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6460 1.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9089 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0510 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8059 1.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1760 2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0339 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2790 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0495 0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5437 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0709 1.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6035 2.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5294 0.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3432 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1412 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6562 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4491 0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6510 0.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1359 -0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6120 -1.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4149 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7644 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9533 -1.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5141 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7056 -2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5660 -1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2423 -1.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7333 -2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3590 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9190 -2.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9169 -2.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2839 -2.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5665 -2.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5309 0.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4015 -0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2528 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9460 -1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7985 -1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9473 -0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2540 -0.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8207 -1.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7018 -1.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7689 -2.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0709 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 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 3 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
7 18 2 0 0 0 0
1 19 1 0 0 0 0
5 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
20 24 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
8 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
31 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
35 40 1 0 0 0 0
32 41 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
41 45 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
42 50 1 0 0 0 0
43 51 1 0 0 0 0
44 52 1 0 0 0 0
40 53 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 1 0 0 0
57 56 1 1 0 0 0
58 57 1 1 0 0 0
58 59 1 0 0 0 0
59 54 1 0 0 0 0
54 60 1 0 0 0 0
55 61 1 0 0 0 0
56 62 1 0 0 0 0
57 63 1 0 0 0 0
58 53 1 0 0 0 0
S SKP 5
ID FL5FAAGL0106
FORMULA C39H50O24
EXACTMASS 902.269202528
AVERAGEMASS 902.7999
SMILES O(C(O7)C(C(C(O)C(CO)7)O)O)C(C(OC(C6=O)=C(Oc(c46)cc(OC(O5)C(C(O)C(O)C5C)O)cc4O)c(c3)ccc(c3)O)1)C(C(C(COC(O2)C(C(O)C(C2C)O)O)O1)O)O
M END
</pre>
