Mol:FL5FAAGS0046
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-3.5754 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5754 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8608 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1464 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1464 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8608 2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4321 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7176 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7176 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4321 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4321 -0.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0035 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7246 1.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7246 3.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0035 3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8608 -0.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4719 3.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2109 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2741 0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8422 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6603 0.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5552 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9404 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1603 0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4875 0.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9565 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1168 0.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5772 -0.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8874 -0.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6314 -1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6314 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3740 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3740 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9867 -3.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5993 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5993 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9867 -2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2109 -3.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0724 -1.1804 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
27 8 1 0 0 0 0
24 30 1 0 0 0 0
28 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
31 41 2 0 0 0 0
S SKP 5
ID FL5FAAGS0046
FORMULA C29H24O12
EXACTMASS 564.126776232
AVERAGEMASS 564.49366
SMILES C(=C(OC(O4)C(OC(=O)C=Cc(c5)ccc(c5)O)C(C(O)C4)O)3)(Oc(c2C3=O)cc(cc(O)2)O)c(c1)ccc(O)c1
M END
