Mol:FL5FCCDS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
1.3281 1.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6137 1.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1008 1.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1008 0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6137 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3281 0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8153 1.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5297 1.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5297 0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8153 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1755 1.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8153 -0.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6137 -0.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8244 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5388 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5388 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8244 3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1540 2.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9651 0.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2355 1.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8574 1.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2353 0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0324 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3109 0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8944 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0971 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8186 0.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3858 -0.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1977 0.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2355 1.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8033 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4226 -2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2381 -2.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3314 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8295 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0140 -0.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9206 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3396 -1.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1156 -2.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2876 -3.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8977 -2.7712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0532 -1.1512 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
6 21 1 0 0 0 0
16 22 1 0 0 0 0
11 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
25 32 1 0 0 0 0
24 33 1 0 0 0 0
28 9 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 21 1 0 0 0 0
S SKP 5
ID FL5FCCDS0001
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES OC(C5CO)C(O)C(C(O5)OC(=C(c(c4)cc(c(O)c4)O)3)C(=O)c(c1O)c(O3)cc(OC)c1C(C2O)OC(C(C(O)2)O)C)O
M END
