Mol:FL3FCACS0030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
1.6359 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9214 -0.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2069 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2069 -1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9214 -2.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6359 -1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 -0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2219 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2219 -1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 -2.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8676 -0.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 -2.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9214 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4176 -0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1321 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8465 -0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8465 0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1321 0.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4176 0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4617 0.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4913 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6814 2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2558 1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8360 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8369 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2624 0.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6821 1.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4092 1.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4171 2.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 2.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4180 2.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2880 0.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1158 0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7033 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9052 0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1119 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5244 0.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3225 0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0635 1.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4617 0.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5957 -0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
11 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 7 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 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
32 36 1 0 0 0 0
S SKP 5
ID FL3FCACS0030
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES O(C)c(c3)c(c(O4)c(C(=O)C=C(c(c5)ccc(O)c5)4)c(O)3)C(C(OC(O2)C(C(O)C(O)C2)O)1)OC(CO)C(O)C(O)1
M END
