Mol:FL1C1AGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-3.5245 2.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5245 1.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8100 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0956 1.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0956 2.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8100 2.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3811 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6666 1.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6666 2.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0478 2.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7623 2.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4768 2.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4768 3.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7623 4.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0478 3.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3811 0.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1653 4.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8100 0.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2112 2.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8985 0.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1839 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9007 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6153 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6176 -1.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9042 -2.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9064 -2.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6220 -3.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3354 -2.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3332 -2.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6242 -4.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5656 1.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3698 2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4036 2.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8529 3.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0487 3.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0147 2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4270 2.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2024 1.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8861 1.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9907 1.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1595 3.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6593 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6593 -0.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8434 -0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6755 0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2112 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2941 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8434 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2533 0.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1813 0.9670 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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
13 17 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
31 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
48 42 1 1 0 0 0
47 42 1 1 0 0 0
46 48 1 1 0 0 0
42 43 1 0 0 0 0
48 44 1 0 0 0 0
49 46 1 0 0 0 0
45 50 1 0 0 0 0
47 49 1 0 0 0 0
42 45 1 0 0 0 0
46 41 1 0 0 0 0
34 17 1 0 0 0 0
20 50 1 0 0 0 0
S SKP 5
ID FL1C1AGS0009
FORMULA C35H36O15
EXACTMASS 696.2054204819999
AVERAGEMASS 696.65134
SMILES O(C(O5)C(C(C(C5CO)O)O)OC(C3O)OCC3(COC(C=Cc(c4)ccc(c4)O)=O)O)c(c2)ccc(c2)C=CC(=O)c(c(O)1)ccc(O)c1
M END
