Mol:FL5FADGL0030
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-3.7593 0.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7593 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0582 -0.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3571 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3571 0.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0582 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 -0.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 0.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 0.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 -1.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2540 0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4605 0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1751 0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1751 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4605 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2540 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4602 0.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1680 -0.9130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0582 -1.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5765 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1535 -2.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9671 -2.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7856 -2.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2088 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3951 -2.4654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8343 -2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8797 -0.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4566 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2703 -0.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0887 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5119 -0.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6983 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0747 -0.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1997 -0.0794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2494 -0.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8041 -1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1378 -1.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7073 -2.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4766 -3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7856 -3.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8348 1.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3549 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2691 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6120 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3874 2.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4732 2.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1302 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9710 2.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9105 0.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4602 0.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3510 1.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4684 2.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0247 3.6797 0.0000 C 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
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
48 43 1 1 0 0 0
48 49 1 0 0 0 0
43 50 1 0 0 0 0
44 51 1 0 0 0 0
45 52 1 0 0 0 0
42 47 1 0 0 0 0
53 54 1 0 0 0 0
16 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 OCH3
M SBV 1 59 -0.0079 -0.6216
S SKP 5
ID FL5FADGL0030
FORMULA C34H42O20
EXACTMASS 770.226943784
AVERAGEMASS 770.6852799999999
SMILES C(O1)(c(c6)ccc(c6OC)OC(O5)C(C(C(O)C(C)5)O)O)=C(OC(O3)C(O)C(C(O)C3COC(C4O)OC(C)C(C4O)O)O)C(c(c2O)c1cc(O)c2)=O
M END
</pre>
