Mol:FL3FECGS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
0.2845 -0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2845 -1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9853 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6862 -1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6862 -0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9853 -0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3872 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0879 -1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0879 -0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3872 -0.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3872 -2.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7886 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5028 -0.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5028 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7886 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5042 1.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8470 0.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9853 -2.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4150 -0.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4150 -1.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5745 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9336 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0107 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1200 -0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7673 0.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5748 -0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9671 0.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2748 -0.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7252 -0.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2316 -1.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2093 0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4283 -0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6761 0.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4283 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2093 2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9615 1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6331 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9366 2.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4063 2.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7245 1.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8470 0.3982 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 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
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
38 33 1 1 0 0 0
34 39 1 0 0 0 0
39 29 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
38 42 1 0 0 0 0
33 43 1 0 0 0 0
26 21 1 0 0 0 0
S SKP 5
ID FL3FECGS0016
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES O(C1C)C(OCC(O2)C(C(C(O)C2Oc(c3)c(O)c(O)c(C4=O)c(OC(c(c5)ccc(c5O)O)=C4)3)O)O)C(C(O)C(O)1)O
M END
