Mol:FL3FACGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
0.6819 -1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6819 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3257 -2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9694 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9694 -1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3257 -1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6133 -2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2571 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2571 -1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6133 -1.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6133 -3.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9007 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5569 -1.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2130 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2130 -0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5569 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9007 -0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0747 -1.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3257 -3.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0612 -0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5569 0.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0868 0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8304 -1.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6957 -1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7642 -1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1235 -0.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2690 -0.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0122 0.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5324 -0.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1969 -1.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6449 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6003 1.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6302 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3738 1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2391 1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3077 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6671 2.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8124 2.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2816 3.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0612 1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6931 0.6870 0.0000 O 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
3 4 1 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
25 18 1 0 0 0 0
32 31 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
36 32 1 0 0 0 0
S SKP 5
ID FL3FACGS0020
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(c3)(c(c(O)cc(OC(C4O)OC(COC(O5)C(O)C(C(O)C5)O)C(O)C4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O
M END
