Mol:FL3FECGS0047
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
55 59 0 0 0 0 0 0 0 0999 V2000
3.3018 2.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3018 1.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0163 1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7308 1.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7308 2.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0163 3.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5872 1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8728 1.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1583 1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1583 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8728 0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5872 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4437 1.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2707 1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2707 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4437 0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8728 -0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9852 1.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4437 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4364 3.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3953 1.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9239 0.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2231 0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4262 0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0097 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2884 1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0853 1.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5019 0.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3278 0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9878 0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5552 -0.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9359 -0.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2817 0.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7922 0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1750 0.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3284 -0.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7930 -1.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3078 -1.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7922 -2.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2418 -3.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0454 -1.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6689 -1.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0909 -2.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9715 -0.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7877 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8864 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3890 0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5725 0.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4737 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8085 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7682 -1.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3441 -1.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6689 0.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4595 0.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4652 -0.8696 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 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
15 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 18 1 0 0 0 0
30 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
37 41 1 0 0 0 0
37 42 1 0 0 0 0
39 43 2 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
49 50 1 0 0 0 0
44 51 1 0 0 0 0
45 52 1 0 0 0 0
46 53 1 0 0 0 0
50 54 2 0 0 0 0
50 55 1 0 0 0 0
47 21 1 0 0 0 0
S SKP 5
ID FL3FECGS0047
FORMULA C33H36O22
EXACTMASS 784.169822836
AVERAGEMASS 784.62574
SMILES C(C(O)1)(O)C(C(Oc(c2)c(O)ccc2C(=C5)Oc(c(C(=O)5)3)cc(OC(O4)C(O)C(C(C4COC(CC(C)(O)CC(O)=O)=O)O)O)c(O)c3O)OC1C(O)=O)O
M END
