Mol:FL5FAAGS0072
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
1.1286 3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 2.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 2.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 3.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3814 -0.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7939 -0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0007 -0.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7974 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2100 -0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4167 -0.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8339 -1.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4135 -1.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2231 -0.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0318 -0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5794 -2.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9919 -3.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1987 -2.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5994 -3.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0120 -2.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 -2.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6359 -3.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6734 -3.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4623 -2.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2724 -2.4827 0.0000 C 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
32 41 1 0 0 0 0
36 28 1 0 0 0 0
26 19 1 0 0 0 0
S SKP 5
ID FL5FAAGS0072
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES C(OC(C4OC(O5)C(C(O)C(O)C(C)5)O)OC(C)C(C4O)O)(=C2c(c3)ccc(c3)O)C(c(c(O)1)c(O2)cc(O)c1)=O
M END
