Mol:FL3FADGS0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
59 64 0 0 0 0 0 0 0 0999 V2000
2.5491 3.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5491 2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2636 2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9780 2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9780 3.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2636 3.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8346 2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1202 2.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4057 2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4057 1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1202 0.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8346 1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3088 2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0233 2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0233 1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3088 0.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1202 0.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7377 2.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3088 0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6836 3.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7406 2.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3901 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4959 3.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0834 2.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2853 2.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4920 2.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9045 3.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7026 2.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9631 3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2890 2.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8123 2.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9065 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6198 4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6853 3.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9736 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1767 -0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7602 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0389 1.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8359 1.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2524 0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8912 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1759 -0.6206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6088 -0.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8906 0.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2699 1.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3901 0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2127 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5052 0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2127 -0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5638 -0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5638 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2783 -1.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2783 -2.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5638 -3.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8494 -2.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8494 -1.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5638 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8662 -3.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8662 -3.8538 0.0000 C 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
21 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
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
29 33 2 0 0 0 0
29 34 1 0 0 0 0
18 26 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
40 41 1 0 0 0 0
35 42 1 0 0 0 0
36 43 1 0 0 0 0
37 44 1 0 0 0 0
41 45 2 0 0 0 0
41 46 1 0 0 0 0
44 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 51 1 0 0 0 0
54 57 1 0 0 0 0
53 58 1 0 0 0 0
58 59 1 0 0 0 0
38 32 1 0 0 0 0
S SKP 5
ID FL3FADGS0027
FORMULA C38H36O21
EXACTMASS 828.174908214
AVERAGEMASS 828.67984
SMILES C(=CC(=O)OC(C(OC(C(Oc(c4)cc(O)c(C5=O)c4OC(c(c6)cc(OC)c(O)c6)=C5)3)C(O)C(O)C(O3)C(O)=O)2)C(O)C(O)C(C(O)=O)O2)c(c1)ccc(c1OC)O
M END
