Mol:FL5FAAGL0079
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-3.0711 1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0711 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3563 0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6415 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6415 1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3563 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9268 0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2120 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2120 1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9268 1.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9268 -0.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6880 1.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4164 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1449 1.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1449 2.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4164 3.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6880 2.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3563 -0.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9245 3.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7335 1.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6107 0.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8189 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3016 0.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9753 0.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5256 -0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0430 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3694 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2071 0.6569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9535 0.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5607 -0.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2651 -0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2527 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7130 -1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -1.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0153 -1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5506 -1.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8736 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2434 -0.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8718 -1.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1474 -2.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4875 -1.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5736 -0.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1173 -0.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2983 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6694 -2.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0753 -2.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0672 -2.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1886 -2.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8672 -3.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7335 -3.0112 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 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
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
41 31 1 0 0 0 0
23 21 1 0 0 0 0
38 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
39 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
40 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
S SKP 5
ID FL5FAAGL0079
FORMULA C32H34O18
EXACTMASS 706.174514284
AVERAGEMASS 706.6015600000001
SMILES OC(C(O)2)C(O)C(OC2OC(C4=O)=C(Oc(c5)c4c(O)cc5O)c(c3)ccc(O)c3)COC(O1)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1
M END
